#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 6.58 -0.32 1.61 0.15 -1.26 -5.03 113.70 115.43 2dit s SER 2 Ca 0.00 -2.53 -0.29 0.00 0.70 0.00 0.00 55.95 53.83 2dit s SER 2 Cb 0.00 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 2dit s SER 2 CO 0.00 -0.62 1.22 -0.44 1.20 0.00 0.00 173.24 174.60 2dit s SER 3 N 2.35 6.75 0.00 5.45 0.01 -1.26 -4.87 113.70 122.13 2dit s SER 3 Ca 0.15 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2dit s SER 3 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dit s SER 3 CO -0.06 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2dit n GLY 4 N 4.21 1.62 3.69 3.44 0.00 -1.26 -4.20 105.19 112.68 2dit n GLY 4 Ca 0.14 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 2dit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dit s SER 5 N -3.37 6.75 1.37 1.61 0.01 -1.26 -5.00 113.70 113.81 2dit s SER 5 Ca 0.00 2.26 -0.20 0.00 1.31 0.00 0.00 55.95 59.31 2dit s SER 5 Cb 0.00 -2.56 0.35 0.00 0.21 0.00 0.00 66.02 64.02 2dit s SER 5 CO 0.00 -0.79 0.95 -0.44 0.41 0.00 0.00 173.24 173.37 2dit s SER 6 N 2.11 -0.64 -1.32 2.44 0.01 -1.26 -4.80 113.70 110.24 2dit s SER 6 Ca 0.68 1.00 -0.09 0.00 1.31 0.00 0.00 55.95 58.85 2dit s SER 6 Cb -0.35 -1.47 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 2dit s SER 6 CO 0.29 -5.13 2.86 0.61 0.41 0.00 0.00 173.24 172.28 2dit n GLY 7 N 1.26 3.89 0.00 3.44 0.00 -1.26 -4.60 105.19 107.92 2dit n GLY 7 Ca 0.10 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 3.50 2.82 3.57 -0.02 0.00 -1.26 -5.01 105.19 108.78 2dit n GLY 8 Ca 0.68 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 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 2.25 2.51 0.29 1.61 0.04 -1.26 -4.94 135.00 135.51 2dit s PRO 9 Ca 0.00 -0.81 -0.30 0.00 0.04 0.00 0.00 61.00 59.93 2dit s PRO 9 Cb 0.00 -5.17 -0.12 0.00 0.04 0.00 0.00 34.50 29.25 2dit s PRO 9 CO 0.00 -3.74 1.57 0.43 0.04 0.00 0.00 177.00 175.29 2dit n SER 10 N 14.24 3.70 -4.63 6.66 7.64 -1.26 -4.95 113.62 135.03 2dit n SER 10 Ca 0.43 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 61.04 2dit n SER 10 Cb 0.47 -1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 2dit n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dit s ARG 11 N -0.56 4.11 0.21 1.43 1.70 -1.26 -5.04 118.95 119.53 2dit s ARG 11 Ca 0.64 0.73 -0.28 0.00 -0.47 0.00 0.00 55.73 56.35 2dit s ARG 11 Cb -0.52 -3.67 -0.09 0.00 -0.57 0.00 0.00 34.95 30.11 2dit s ARG 11 CO 0.49 -0.52 0.87 0.00 -1.08 0.00 0.00 175.30 175.06 2dit s MET 12 N 2.76 4.73 -0.64 3.89 0.23 -1.26 -4.98 119.30 124.03 2dit s MET 12 Ca 0.31 1.34 0.01 0.00 -1.03 0.00 0.00 55.69 56.32 2dit s MET 12 Cb -0.15 -3.27 0.41 0.00 -1.53 0.00 0.00 34.83 30.29 2dit s MET 12 CO 0.09 0.54 1.74 2.89 -2.03 0.00 0.00 175.02 178.25 2dit n ARG 13 N 1.53 2.98 -4.20 3.16 1.85 -1.26 -4.98 116.66 115.74 2dit n ARG 13 Ca -0.04 -3.72 -0.12 0.00 -1.00 0.00 0.00 57.85 52.97 2dit n ARG 13 Cb 0.48 -2.27 -0.10 0.00 -1.05 0.00 0.00 32.46 29.51 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2dit s HIS 14 N -3.83 1.11 0.00 2.89 -3.43 -1.26 -5.07 115.29 105.69 2dit s HIS 14 Ca 0.55 -1.24 0.00 0.00 -0.80 0.00 0.00 55.06 53.57 2dit s HIS 14 Cb 0.45 -0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.00 2dit s HIS 14 CO -0.18 -0.49 0.00 -0.85 -2.00 0.00 0.00 174.74 171.22 2dit n GLU 15 N -0.22 0.78 -4.07 -0.38 0.00 -1.26 -5.03 120.64 110.45 2dit n GLU 15 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.81 2dit n GLU 15 Cb 0.65 -0.79 -0.00 0.00 0.00 0.00 0.00 31.44 31.29 2dit n GLU 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dit n ARG 16 N -1.84 -4.14 -3.78 3.44 5.12 -1.26 -3.77 116.66 110.43 2dit n ARG 16 Ca 0.00 0.47 -0.37 0.00 -1.93 0.00 0.00 57.85 56.02 2dit n ARG 16 Cb 0.29 -5.21 -0.06 0.00 -1.16 0.00 0.00 32.46 26.32 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dit s VAL 17 N -3.36 5.38 0.14 1.55 1.01 -1.26 -1.08 120.40 122.78 2dit s VAL 17 Ca 0.64 0.34 0.07 0.00 0.00 0.00 0.00 61.98 63.03 2dit s VAL 17 Cb -0.33 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2dit s VAL 17 CO 0.88 0.58 -0.07 0.68 0.00 0.00 0.00 175.10 177.18 2dit s VAL 18 N -1.07 3.43 0.06 2.92 -7.23 -0.16 -0.73 120.40 117.62 2dit s VAL 18 Ca 0.18 -1.40 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 2dit s VAL 18 Cb -0.13 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2dit s VAL 18 CO 0.08 -0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.07 2dit s ILE 19 N -1.47 2.95 0.06 -0.62 -1.09 0.13 -1.74 121.20 119.42 2dit s ILE 19 Ca 0.24 -1.22 0.06 0.00 -2.23 0.00 0.00 60.65 57.49 2dit s ILE 19 Cb -0.10 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2dit s ILE 19 CO 0.15 0.27 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.35 2dit s ILE 20 N -1.01 1.22 0.20 2.92 -1.09 -1.14 -2.40 121.20 119.91 2dit s ILE 20 Ca 0.16 -1.19 0.06 0.00 -2.23 0.00 0.00 60.65 57.45 2dit s ILE 20 Cb -0.11 -1.13 -0.05 0.00 -1.58 0.00 0.00 42.46 39.60 2dit s ILE 20 CO 0.07 -0.07 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.08 2dit s LYS 21 N -1.45 1.29 -1.50 2.79 3.01 -1.15 -3.24 119.74 119.48 2dit s LYS 21 Ca 0.01 -1.60 -0.06 0.00 -1.01 0.00 0.00 55.97 53.32 2dit s LYS 21 Cb -0.09 -0.87 0.05 0.00 -1.01 0.00 0.00 37.83 35.91 2dit s LYS 21 CO 0.02 0.07 0.51 -1.71 0.51 0.00 0.00 175.35 174.75 2dit n ASN 22 N -0.37 -1.19 -0.00 2.83 5.15 -0.05 -3.57 115.26 118.06 2dit n ASN 22 Ca -0.08 -1.02 0.01 0.00 -0.60 0.00 0.00 54.58 52.89 2dit n ASN 22 Cb 0.62 -2.91 -0.01 0.00 -0.53 0.00 0.00 39.78 36.95 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 -4.42 1.12 -3.78 1.20 0.00 -1.25 -4.38 117.12 105.61 2dit n MET 23 Ca -0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 57.70 57.44 2dit n MET 23 Cb 0.63 -0.96 -0.02 0.00 0.00 0.00 0.00 33.22 32.87 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 -1.95 -0.18 -0.00 3.17 -0.12 -1.26 -4.42 117.98 113.22 2dit s PHE 24 Ca -0.00 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 56.72 2dit s PHE 24 Cb 0.01 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 2dit s PHE 24 CO 0.07 -0.99 -0.09 -1.58 -0.05 0.00 0.00 175.22 172.58 2dit s HIS 25 N -3.56 0.82 0.16 3.49 2.46 -1.26 -1.59 115.29 115.82 2dit s HIS 25 Ca 0.11 -0.17 -0.09 0.00 0.47 0.00 0.00 55.06 55.39 2dit s HIS 25 Cb -0.03 -0.53 0.01 0.00 -0.13 0.00 0.00 32.58 31.90 2dit s HIS 25 CO 0.03 -0.01 1.50 -1.00 -2.47 0.00 0.00 174.74 172.79 2dit h PRO 26 N 5.86 0.86 0.00 2.88 0.13 -1.85 -2.87 132.00 137.00 2dit h PRO 26 Ca -0.31 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2dit h PRO 26 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dit h PRO 26 CO 0.49 1.10 0.00 -0.12 -0.23 0.00 0.00 178.00 179.24 2dit n MET 27 N -4.05 0.19 0.11 0.86 1.56 -1.26 -2.78 117.12 111.75 2dit n MET 27 Ca -0.02 0.30 -0.03 0.00 -0.27 0.00 0.00 57.70 57.68 2dit n MET 27 Cb 0.55 -1.79 0.04 0.00 2.15 0.00 0.00 33.22 34.17 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 0.00 1.28 6.12 5.19 -1.90 -3.16 116.42 123.94 2dit h ASP 28 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2dit h ASP 28 Cb 0.50 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 2dit h ASP 28 CO 0.00 0.76 -0.51 -0.26 -3.12 0.00 0.00 179.24 176.11 2dit h PHE 29 N 0.00 0.00 0.00 4.55 0.04 -1.54 -3.11 116.94 116.88 2dit h PHE 29 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2dit h PHE 29 Cb 1.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.57 2dit h PHE 29 CO 0.00 0.51 0.00 0.39 -0.60 0.00 0.00 178.31 178.61 2dit n GLU 30 N -3.31 0.12 -0.11 1.51 1.02 -1.19 -1.93 120.64 116.75 2dit n GLU 30 Ca 0.01 0.54 -0.14 0.00 -0.02 0.00 0.00 57.16 57.55 2dit n GLU 30 Cb 0.69 -1.84 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 2dit n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dit n ASP 31 N -2.09 1.08 -3.63 1.62 2.03 -1.18 -5.01 116.55 109.37 2dit n ASP 31 Ca -0.00 -0.04 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 2dit n ASP 31 Cb 0.08 0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.61 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 -6.07 -0.63 0.14 1.67 1.01 -0.81 -5.06 116.67 106.91 2dit s ASP 32 Ca -0.22 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 54.13 2dit s ASP 32 Cb 0.08 1.22 -0.04 0.00 1.01 0.00 0.00 42.92 45.18 2dit s ASP 32 CO 0.72 -0.21 1.48 1.55 0.21 0.00 0.00 175.17 178.92 2dit h PRO 33 N 4.85 0.94 -0.84 8.23 0.13 -1.89 -3.25 132.00 140.16 2dit h PRO 33 Ca -0.29 -0.49 0.19 0.00 -0.87 0.00 0.00 66.00 64.55 2dit h PRO 33 Cb 1.17 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2dit h PRO 33 CO 0.09 1.15 -0.12 1.28 -0.23 0.00 0.00 178.00 180.16 2dit n LEU 34 N -4.07 -0.22 -0.22 1.56 7.99 -1.26 0.10 117.00 120.88 2dit n LEU 34 Ca -0.02 1.45 -0.09 0.00 -0.01 0.00 0.00 56.01 57.33 2dit n LEU 34 Cb 0.54 -0.47 -0.05 0.00 -0.11 0.00 0.00 43.42 43.33 2dit n LEU 34 CO 0.48 -1.42 0.55 0.58 -1.51 0.00 0.00 177.39 176.08 2dit h VAL 35 N 0.00 0.06 -0.23 4.08 2.07 -1.90 0.36 116.25 120.70 2dit h VAL 35 Ca 0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.90 2dit h VAL 35 Cb 0.79 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2dit h VAL 35 CO -0.84 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 176.85 2dit h LEU 36 N -0.23 0.37 0.70 2.57 5.85 -0.54 -1.72 115.31 122.31 2dit h LEU 36 Ca 0.17 -0.09 -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 0.55 -0.33 0.78 -0.34 0.00 0.00 178.44 178.40 2dit h ASN 37 N 0.36 -0.79 -0.83 1.25 2.35 0.78 0.26 115.58 118.96 2dit h ASN 37 Ca 0.07 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2dit h ASN 37 Cb 0.48 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 2dit h ASN 37 CO 0.03 -0.53 0.49 1.05 -1.65 0.00 0.00 177.43 176.82 2dit h GLU 38 N -1.01 0.83 0.58 0.81 4.11 -0.46 -1.07 114.58 118.38 2dit h GLU 38 Ca -0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.72 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dit h GLU 38 CO 0.16 0.55 -0.28 0.82 0.07 0.00 0.00 179.01 180.33 2dit h ILE 39 N 0.86 0.39 0.14 -1.06 2.04 -1.27 0.48 117.51 119.09 2dit h ILE 39 Ca 0.38 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2dit h ILE 39 Cb 0.28 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2dit h ILE 39 CO -0.21 0.02 -0.51 -0.09 0.00 0.00 0.00 178.15 177.36 2dit h ARG 40 N -0.90 -0.72 -0.88 2.37 2.43 -0.21 -1.20 114.38 115.26 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 0.64 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 2dit h ARG 40 CO 0.13 -0.48 0.57 1.05 -1.51 0.00 0.00 179.97 179.73 2dit h GLU 41 N -0.75 0.76 -0.60 0.20 4.11 -1.24 -1.22 114.58 115.83 2dit h GLU 41 Ca -0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.42 2dit h GLU 41 Cb 0.76 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2dit h GLU 41 CO -0.27 0.50 0.35 -0.44 0.07 0.00 0.00 179.01 179.22 2dit h ASP 42 N 0.79 0.54 0.41 3.06 5.19 0.22 0.21 116.42 126.84 2dit h ASP 42 Ca 0.43 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.79 2dit h ASP 42 Cb 0.55 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2dit h ASP 42 CO -0.19 0.37 -0.29 -0.07 -3.12 0.00 0.00 179.24 175.94 2dit h LEU 43 N 0.67 0.00 0.00 1.55 3.38 -0.16 0.41 115.31 121.17 2dit h LEU 43 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2dit h LEU 43 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2dit h LEU 43 CO -0.14 0.29 -0.95 -0.09 0.09 0.00 0.00 178.44 177.64 2dit h ARG 44 N 0.00 0.00 0.00 1.13 2.43 -0.73 -2.69 114.38 114.52 2dit h ARG 44 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2dit h ARG 44 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2dit h ARG 44 CO 0.04 0.80 -1.36 1.33 -1.51 0.00 0.00 179.97 179.27 2dit n VAL 45 N -3.27 1.13 0.01 0.20 0.24 0.63 -3.25 118.33 114.02 2dit n VAL 45 Ca -0.01 -0.68 -0.18 0.00 -2.04 0.00 0.00 64.34 61.43 2dit n VAL 45 Cb 0.89 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 32.43 2dit n VAL 45 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2dit h GLU 46 N 0.00 0.25 0.00 7.34 4.11 -0.26 -3.07 114.58 122.95 2dit h GLU 46 Ca -0.14 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2dit h GLU 46 Cb 1.52 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2dit h GLU 46 CO 0.04 1.12 0.00 0.00 0.07 0.00 0.00 179.01 180.24 2dit h SER 48 N 0.00 0.00 -0.89 0.00 0.87 -1.59 -3.33 113.55 108.61 2dit h SER 48 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 2dit h SER 48 Cb 0.49 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.33 2dit h SER 48 CO 0.00 0.06 0.40 0.11 -0.53 0.00 0.00 176.83 176.86 2dit h LYS 49 N 0.00 0.40 0.00 2.24 1.79 -1.39 0.13 116.57 119.74 2dit h LYS 49 Ca -0.01 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.21 2dit h LYS 49 Cb 1.05 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2dit h LYS 49 CO 0.01 0.26 -1.17 0.74 -1.08 0.00 0.00 179.45 178.21 2dit h PHE 50 N 0.41 0.00 0.00 -1.35 0.04 -1.77 -3.49 116.94 110.78 2dit h PHE 50 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 2dit h PHE 50 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2dit h PHE 50 CO -0.14 0.95 0.00 0.41 -0.60 0.00 0.00 178.31 178.94 2dit n GLY 51 N 1.40 1.21 1.74 -1.45 0.00 0.47 -5.03 105.19 103.52 2dit n GLY 51 Ca -0.05 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.86 -3.85 1.61 1.13 -1.26 -4.49 117.38 111.38 2dit n GLN 52 Ca 0.00 -1.78 -0.30 0.00 -1.94 0.00 0.00 57.00 52.98 2dit n GLN 52 Cb 0.00 0.88 -0.14 0.00 0.11 0.00 0.00 30.24 31.09 2dit n GLN 52 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dit s ILE 53 N -2.26 1.85 0.32 5.09 -1.09 -1.26 -4.41 121.20 119.43 2dit s ILE 53 Ca 0.09 -2.55 0.07 0.00 -2.23 0.00 0.00 60.65 56.03 2dit s ILE 53 Cb 0.00 -2.32 0.31 0.00 -1.58 0.00 0.00 42.46 38.87 2dit s ILE 53 CO 0.06 -0.77 1.78 0.03 -1.23 0.00 0.00 174.94 174.81 2dit h ARG 54 N 7.06 0.70 -1.74 2.79 2.47 -1.88 -3.43 114.38 120.35 2dit h ARG 54 Ca -0.06 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2dit h ARG 54 Cb 0.95 -0.16 -0.23 0.00 -1.65 0.00 0.00 29.97 28.89 2dit h ARG 54 CO 0.55 0.46 0.37 0.21 0.56 0.00 0.00 179.97 182.13 2dit s LYS 55 N -5.81 0.71 -0.06 0.04 2.20 -1.23 -4.98 119.74 110.61 2dit s LYS 55 Ca -0.11 0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2dit s LYS 55 Cb 0.25 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.93 2dit s LYS 55 CO 0.80 -0.17 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.43 2dit s LEU 56 N -0.49 1.00 -0.09 5.43 2.96 -1.26 -0.64 118.68 125.59 2dit s LEU 56 Ca -0.02 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2dit s LEU 56 Cb -0.02 -0.45 0.03 0.00 0.50 0.00 0.00 46.19 46.24 2dit s LEU 56 CO 0.01 -0.12 0.01 -0.76 -1.32 0.00 0.00 176.35 174.17 2dit s LEU 57 N 1.42 0.60 -0.34 -0.68 1.43 -0.56 -5.03 118.68 115.52 2dit s LEU 57 Ca -0.03 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 2dit s LEU 57 Cb -0.13 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2dit s LEU 57 CO -0.03 -0.22 0.27 -0.22 0.23 0.00 0.00 176.35 176.39 2dit s LEU 58 N 1.98 4.49 -1.08 1.79 0.20 -1.26 -0.40 118.68 124.41 2dit s LEU 58 Ca 0.04 -0.36 -0.21 0.00 0.69 0.00 0.00 54.13 54.29 2dit s LEU 58 Cb -0.13 -2.19 0.07 0.00 -0.43 0.00 0.00 46.19 43.51 2dit s LEU 58 CO -0.05 -0.26 1.48 -0.36 -0.29 0.00 0.00 176.35 176.86 2dit s PHE 59 N 1.80 2.71 0.00 5.38 0.08 -0.51 -4.84 117.98 122.60 2dit s PHE 59 Ca 0.08 -1.16 -0.00 0.00 0.12 0.00 0.00 56.93 55.96 2dit s PHE 59 Cb -0.17 -4.64 -0.02 0.00 -0.57 0.00 0.00 43.02 37.62 2dit s PHE 59 CO 0.11 -1.82 1.96 -0.40 -0.10 0.00 0.00 175.22 174.97 2dit n ASP 60 N 8.31 4.93 0.00 1.36 5.75 -1.26 -3.12 116.55 132.51 2dit n ASP 60 Ca 0.36 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2dit n ASP 60 Cb 0.49 -1.06 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 1.61 2.74 -2.79 0.11 5.12 -1.26 -4.73 116.66 117.47 2dit n ARG 61 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 2dit n ARG 61 Cb 0.49 -0.85 -0.03 0.00 -1.16 0.00 0.00 32.46 30.90 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 -1.68 3.47 -2.00 -1.55 2.46 -1.18 -4.91 115.29 109.89 2dit s HIS 62 Ca 0.00 1.43 0.08 0.00 0.47 0.00 0.00 55.06 57.03 2dit s HIS 62 Cb 0.00 -3.10 0.45 0.00 -0.13 0.00 0.00 32.58 29.80 2dit s HIS 62 CO 0.00 -0.23 0.91 -0.35 -2.47 0.00 0.00 174.74 172.59 2dit n PRO 63 N 5.12 0.49 -0.18 2.88 -0.04 -1.26 -2.01 135.00 140.01 2dit n PRO 63 Ca 0.07 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2dit n PRO 63 Cb 0.49 -1.24 0.16 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.74 2.80 -2.93 3.54 9.92 -1.26 -4.82 116.55 123.06 2dit n ASP 64 Ca 0.06 -2.93 -0.02 0.00 -0.53 0.00 0.00 54.79 51.36 2dit n ASP 64 Cb 0.03 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 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 -1.01 -2.44 3.19 0.44 0.00 -0.62 -0.88 105.19 103.88 2dit n GLY 65 Ca 0.16 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.48 2.20 0.08 1.61 1.01 -1.26 -3.14 120.40 119.43 2dit s VAL 66 Ca 0.04 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2dit s VAL 66 Cb -0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2dit s VAL 66 CO 0.52 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 176.01 2dit s ALA 67 N 0.80 1.32 -0.27 5.51 0.00 -1.20 -1.43 121.76 126.49 2dit s ALA 67 Ca -0.07 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2dit s ALA 67 Cb -0.16 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 22.91 2dit s ALA 67 CO -0.01 0.19 -0.07 -1.54 0.00 0.00 0.00 175.76 174.32 2dit s SER 68 N -1.88 4.59 -0.38 0.00 1.04 0.47 -2.87 113.70 114.68 2dit s SER 68 Ca 0.01 -1.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.02 2dit s SER 68 Cb -0.09 -1.61 0.06 0.00 0.10 0.00 0.00 66.02 64.48 2dit s SER 68 CO 0.03 -0.21 0.18 -0.69 0.98 0.00 0.00 173.24 173.52 2dit s VAL 69 N 1.15 3.93 0.43 5.02 1.01 -0.71 -1.50 120.40 129.72 2dit s VAL 69 Ca -0.08 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.36 2dit s VAL 69 Cb -0.20 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2dit s VAL 69 CO -0.04 -0.36 0.97 -0.44 0.00 0.00 0.00 175.10 175.23 2dit s SER 70 N 1.74 6.87 0.09 3.32 0.01 0.19 -0.98 113.70 124.93 2dit s SER 70 Ca 0.01 1.76 0.05 0.00 1.31 0.00 0.00 55.95 59.08 2dit s SER 70 Cb -0.21 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 2dit s SER 70 CO 0.02 -0.41 -0.13 -0.36 0.41 0.00 0.00 173.24 172.77 2dit s PHE 71 N -2.07 1.18 -0.13 2.43 0.40 -0.24 -2.99 117.98 116.56 2dit s PHE 71 Ca 0.62 -0.53 -0.09 0.00 -0.60 0.00 0.00 56.93 56.33 2dit s PHE 71 Cb -0.12 -0.65 -0.06 0.00 0.51 0.00 0.00 43.02 42.71 2dit s PHE 71 CO 0.16 0.05 0.01 -0.09 0.70 0.00 0.00 175.22 176.05 2dit h ARG 72 N 3.97 0.00 -6.10 0.44 9.65 -1.88 -3.40 114.38 117.06 2dit h ARG 72 Ca -0.39 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 57.90 2dit h ARG 72 Cb 1.19 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 2dit h ARG 72 CO 0.45 0.19 -0.08 0.16 2.80 0.00 0.00 179.97 183.49 2dit s ASP 73 N -5.82 6.95 0.33 -3.80 1.47 -1.26 -4.98 116.67 109.55 2dit s ASP 73 Ca -0.11 1.13 0.12 0.00 1.18 0.00 0.00 52.55 54.86 2dit s ASP 73 Cb 0.01 -2.33 0.57 0.00 -0.34 0.00 0.00 42.92 40.83 2dit s ASP 73 CO 0.22 0.22 1.73 1.55 0.68 0.00 0.00 175.17 179.57 2dit h PRO 74 N 5.06 0.00 -0.21 2.11 0.13 -1.96 -3.11 132.00 134.02 2dit h PRO 74 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dit h PRO 74 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2dit h PRO 74 CO 0.66 0.48 0.12 0.93 -0.23 0.00 0.00 178.00 179.95 2dit h GLU 75 N 0.00 0.28 0.35 0.86 5.08 -1.98 -1.68 114.58 117.50 2dit h GLU 75 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2dit h GLU 75 Cb 0.85 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2dit h GLU 75 CO 0.06 0.26 -0.17 0.93 -1.00 0.00 0.00 179.01 179.09 2dit h GLU 76 N 0.23 -0.46 -0.30 2.33 3.07 -1.95 -2.57 114.58 114.93 2dit h GLU 76 Ca 0.07 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2dit h GLU 76 Cb 0.05 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2dit h GLU 76 CO -0.01 -0.31 -0.25 0.00 -1.40 0.00 0.00 179.01 177.04 2dit h ALA 77 N -1.75 -0.39 -0.97 3.43 0.00 -1.60 1.27 119.26 119.25 2dit h ALA 77 Ca -0.05 0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.17 2dit h ALA 77 Cb 0.36 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2dit h ALA 77 CO 0.08 -0.54 0.99 0.22 0.00 0.00 0.00 179.25 180.01 2dit h ASP 78 N -0.09 0.00 0.39 0.00 3.58 -1.39 1.76 116.42 120.67 2dit h ASP 78 Ca 0.05 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 2dit h ASP 78 Cb 0.23 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2dit h ASP 78 CO -0.34 0.00 -1.76 0.00 -2.88 0.00 0.00 179.24 174.26 2dit n TYR 79 N -3.53 0.52 0.13 0.28 9.36 0.26 -4.13 117.16 120.06 2dit n TYR 79 Ca 0.21 0.17 0.01 0.00 3.32 0.00 0.00 57.90 61.62 2dit n TYR 79 Cb 1.30 -0.93 0.03 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.81 0.00 0.00 -0.00 -0.76 0.40 117.51 117.96 2dit h ILE 81 Ca -0.01 -1.50 -0.11 0.00 -0.00 0.00 0.00 64.86 63.24 2dit h ILE 81 Cb 1.41 1.94 -0.02 0.00 -0.00 0.00 0.00 36.82 40.15 2dit h ILE 81 CO 0.07 0.35 -1.33 0.00 -0.00 0.00 0.00 178.15 177.24 2dit n GLN 82 N -3.48 0.62 0.01 0.16 10.64 -1.21 -2.96 117.38 121.16 2dit n GLN 82 Ca 0.00 0.16 0.05 0.00 -1.83 0.00 0.00 57.00 55.38 2dit n GLN 82 Cb 0.51 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 27.99 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 0.67 1.04 -0.39 -1.04 -1.07 -4.11 114.28 106.61 2dit n THR 83 Ca -0.07 -0.62 0.11 0.00 -2.04 0.00 0.00 64.05 61.43 2dit n THR 83 Cb 0.74 -0.34 0.12 0.00 -1.82 0.00 0.00 70.33 69.03 2dit n THR 83 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dit n LEU 84 N -2.59 0.97 0.00 -4.42 4.77 0.14 -3.97 117.00 111.90 2dit n LEU 84 Ca -0.10 -0.31 0.11 0.00 -0.03 0.00 0.00 56.01 55.68 2dit n LEU 84 Cb 0.74 -0.11 0.60 0.00 -2.33 0.00 0.00 43.42 42.32 2dit n LEU 84 CO 0.43 0.21 0.83 -0.90 -1.33 0.00 0.00 177.39 176.64 2dit n ASP 85 N -1.14 0.00 0.00 -1.43 5.68 -1.16 -2.61 116.55 115.90 2dit n ASP 85 Ca 0.07 -0.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 2dit n ASP 85 Cb 0.35 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.40 -0.02 3.55 6.12 0.00 -1.15 -4.00 105.19 110.10 2dit n GLY 86 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2dit n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dit s ARG 87 N -0.26 -0.35 -0.11 1.61 1.81 -1.07 -4.60 118.95 115.97 2dit s ARG 87 Ca 0.00 1.00 0.01 0.00 -1.72 0.00 0.00 55.73 55.02 2dit s ARG 87 Cb 0.00 -1.61 0.02 0.00 -0.45 0.00 0.00 34.95 32.91 2dit s ARG 87 CO 0.00 -3.39 -0.11 -1.58 -0.68 0.00 0.00 175.30 169.54 2dit s TRP 88 N -2.54 1.74 -0.02 -0.53 0.52 -1.26 0.42 118.94 117.28 2dit s TRP 88 Ca 0.68 -0.87 0.06 0.00 0.02 0.00 0.00 56.10 55.99 2dit s TRP 88 Cb -0.24 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2dit s TRP 88 CO 0.62 -0.52 -0.20 -0.06 0.02 0.00 0.00 176.95 176.82 2dit s PHE 89 N 1.38 1.85 0.00 -1.98 0.40 0.33 -4.67 117.98 115.29 2dit s PHE 89 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2dit s PHE 89 Cb -0.13 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.20 2dit s PHE 89 CO -0.06 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.21 2dit n GLY 90 N 2.65 0.19 0.00 4.36 0.00 -1.26 -1.29 105.19 109.85 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 -1.37 1.38 3.67 -0.02 0.00 -1.26 -5.09 105.19 102.49 2dit n GLY 91 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.38 2.25 0.59 1.61 1.70 -0.41 -5.07 118.95 119.24 2dit s ARG 92 Ca 0.00 -1.57 -0.13 0.00 -0.47 0.00 0.00 55.73 53.56 2dit s ARG 92 Cb 0.00 -2.09 -0.05 0.00 -0.57 0.00 0.00 34.95 32.24 2dit s ARG 92 CO 0.00 0.20 1.02 -1.14 -1.08 0.00 0.00 175.30 174.30 2dit s GLN 93 N -3.75 3.67 0.11 3.89 0.74 -1.26 0.12 119.66 123.18 2dit s GLN 93 Ca 0.35 0.82 0.03 0.00 0.05 0.00 0.00 55.36 56.60 2dit s GLN 93 Cb -0.03 -2.09 -0.04 0.00 1.10 0.00 0.00 33.01 31.95 2dit s GLN 93 CO 0.21 -0.51 -0.08 0.96 -0.55 0.00 0.00 175.29 175.32 2dit s ILE 94 N -3.02 0.84 0.14 -2.34 -4.36 0.17 -4.75 121.20 107.88 2dit s ILE 94 Ca 0.56 -1.91 0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2dit s ILE 94 Cb -0.11 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 2dit s ILE 94 CO 0.48 -0.79 -0.12 0.28 0.24 0.00 0.00 174.94 175.03 2dit s THR 95 N -3.34 3.15 0.13 8.37 -1.32 -1.23 -2.93 115.64 118.46 2dit s THR 95 Ca 0.12 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.18 2dit s THR 95 Cb 0.03 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 2dit s THR 95 CO -0.03 0.02 -0.17 0.00 -2.21 0.00 0.00 174.62 172.23 2dit s ALA 96 N -1.39 1.77 0.03 11.08 0.00 -1.26 -2.95 121.76 129.05 2dit s ALA 96 Ca 0.22 -1.36 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 2dit s ALA 96 Cb -0.10 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 22.95 2dit s ALA 96 CO 0.13 0.22 0.84 1.14 0.00 0.00 0.00 175.76 178.09 2dit s GLN 97 N -2.52 0.92 0.07 0.00 0.00 -1.01 -4.73 119.66 112.38 2dit s GLN 97 Ca 0.11 -0.35 -0.25 0.00 -0.00 0.00 0.00 55.36 54.87 2dit s GLN 97 Cb -0.07 0.42 -0.06 0.00 0.00 0.00 0.00 33.01 33.30 2dit s GLN 97 CO 0.05 -0.40 0.76 0.00 0.00 0.00 0.00 175.29 175.69 2dit s ALA 98 N -3.24 3.39 0.31 2.60 0.00 -1.26 -0.69 121.76 122.87 2dit s ALA 98 Ca 0.05 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2dit s ALA 98 Cb -0.01 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2dit s ALA 98 CO -0.09 0.12 0.49 -0.46 0.00 0.00 0.00 175.76 175.81 2dit s TRP 99 N -0.29 3.48 0.00 0.00 -0.00 0.09 -4.88 118.94 117.34 2dit s TRP 99 Ca 0.38 0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.70 2dit s TRP 99 Cb -0.21 -1.79 0.00 0.00 -0.00 0.00 0.00 33.47 31.47 2dit s TRP 99 CO 0.23 0.22 0.00 -3.47 -0.00 0.00 0.00 176.95 173.93 2dit n ASP 100 N -1.67 0.00 0.00 5.86 -0.08 -1.26 -4.67 116.55 114.73 2dit n ASP 100 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2dit n ASP 100 Cb 0.56 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dit n GLY 101 N 3.34 -1.16 0.00 0.27 0.00 -1.26 -4.99 105.19 101.40 2dit n GLY 101 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.56 2.61 5.66 -1.26 -5.09 114.28 114.64 2dit n THR 102 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2dit n THR 102 Cb 0.00 -0.23 0.07 0.00 -1.55 0.00 0.00 70.33 68.62 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 -1.61 3.77 -1.56 1.09 5.66 -1.26 -4.93 114.28 115.44 2dit n THR 103 Ca 0.00 -0.46 -0.18 0.00 -3.05 0.00 0.00 64.05 60.36 2dit n THR 103 Cb 0.18 -1.21 0.12 0.00 -1.55 0.00 0.00 70.33 67.87 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 -1.36 4.40 0.39 1.09 5.75 -1.26 -4.63 116.55 120.94 2dit n ASP 104 Ca 0.14 -3.77 -0.17 0.00 -0.01 0.00 0.00 54.79 50.98 2dit n ASP 104 Cb 0.48 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 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 1.54 -0.93 0.00 2.11 0.05 -1.99 -3.37 116.97 114.38 2dit h TYR 105 Ca 0.39 -0.02 -0.31 0.00 0.05 0.00 0.00 58.73 58.83 2dit h TYR 105 Cb 1.54 0.31 -0.06 0.00 1.01 0.00 0.00 36.73 39.53 2dit h TYR 105 CO 1.13 -0.56 -2.16 0.00 -1.05 0.00 0.00 178.16 175.52 2dit n GLN 106 N -5.48 1.09 -1.39 4.88 10.64 -1.26 -5.01 117.38 120.84 2dit n GLN 106 Ca -0.14 0.03 -0.42 0.00 -1.83 0.00 0.00 57.00 54.64 2dit n GLN 106 Cb 0.41 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 2dit n GLN 106 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2dit n SER 107 N -2.75 -1.60 -2.86 2.61 3.41 -1.26 -3.93 113.62 107.23 2dit n SER 107 Ca -0.30 0.90 -0.02 0.00 -0.26 0.00 0.00 58.87 59.19 2dit n SER 107 Cb 1.01 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2dit n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dit n GLY 108 N 2.00 -2.94 3.55 5.00 0.00 -1.26 -4.80 105.19 106.73 2dit n GLY 108 Ca 0.12 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 46.21 2dit n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dit s PRO 109 N -1.61 2.67 -0.72 1.61 0.04 -1.25 -4.86 135.00 130.88 2dit s PRO 109 Ca 0.03 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 2dit s PRO 109 Cb -0.01 -4.37 -0.18 0.00 0.04 0.00 0.00 34.50 29.98 2dit s PRO 109 CO 0.61 -2.68 2.16 0.45 0.04 0.00 0.00 177.00 177.58 2dit n SER 110 N 12.59 0.37 0.04 6.66 2.88 -1.26 -4.76 113.62 130.14 2dit n SER 110 Ca 0.20 0.29 -0.22 0.00 -1.33 0.00 0.00 58.87 57.81 2dit n SER 110 Cb 0.52 -0.78 -0.14 0.00 -0.75 0.00 0.00 64.21 63.05 2dit n SER 110 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dit h SER 111 N 9.46 0.50 0.00 -3.46 4.64 -2.03 -3.56 113.55 119.10 2dit h SER 111 Ca -0.06 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 2dit h SER 111 Cb 1.15 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2dit h SER 111 CO 1.11 1.66 0.00 0.61 -0.87 0.00 0.00 176.83 179.34