#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk s SER 2 N 0.00 3.69 -0.09 1.61 0.01 -1.26 -5.00 113.70 112.66 2dmk s SER 2 Ca 0.00 -1.25 -0.24 0.00 1.31 0.00 0.00 55.95 55.76 2dmk s SER 2 Cb 0.00 -0.96 -0.29 0.00 0.21 0.00 0.00 66.02 64.98 2dmk s SER 2 CO 0.00 -0.31 0.82 0.28 0.41 0.00 0.00 173.24 174.44 2dmk h SER 3 N 8.05 0.28 0.00 2.44 0.02 -2.14 -3.45 113.55 118.75 2dmk h SER 3 Ca -0.15 -0.96 0.00 0.00 -0.84 0.00 0.00 61.79 59.84 2dmk h SER 3 Cb 1.07 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2dmk h SER 3 CO 0.41 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 177.97 2dmk n GLY 4 N 1.65 -1.57 4.12 -3.77 0.00 -1.26 -4.70 105.19 99.66 2dmk n GLY 4 Ca -0.13 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmk n SER 5 N 0.00 -3.67 -3.92 1.61 2.88 -1.26 -4.91 113.62 104.35 2dmk n SER 5 Ca 0.00 -0.94 -0.29 0.00 -1.33 0.00 0.00 58.87 56.31 2dmk n SER 5 Cb 0.00 -3.12 -0.13 0.00 -0.75 0.00 0.00 64.21 60.21 2dmk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmk s SER 6 N -3.34 4.52 -0.29 -3.46 0.01 -1.26 -4.83 113.70 105.05 2dmk s SER 6 Ca 0.69 -3.40 0.10 0.00 1.31 0.00 0.00 55.95 54.66 2dmk s SER 6 Cb -0.37 -1.62 0.34 0.00 0.21 0.00 0.00 66.02 64.58 2dmk s SER 6 CO 0.90 -0.16 1.36 0.61 0.41 0.00 0.00 173.24 176.36 2dmk n GLY 7 N 2.59 1.48 2.96 3.44 0.00 -1.26 -5.06 105.19 109.33 2dmk n GLY 7 Ca 0.12 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2dmk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmk s GLU 8 N 0.11 2.45 0.00 1.61 2.56 -1.26 -4.98 118.70 119.18 2dmk s GLU 8 Ca 0.08 -3.08 0.00 0.00 0.00 0.00 0.00 54.97 51.97 2dmk s GLU 8 Cb 0.37 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 33.01 2dmk s GLU 8 CO -0.10 -1.23 0.00 0.41 -0.56 0.00 0.00 175.26 173.78 2dmk n GLY 9 N 2.44 1.46 2.77 -1.50 0.00 -1.26 -5.15 105.19 103.95 2dmk n GLY 9 Ca 0.15 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 2dmk n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 10 N 0.00 0.81 0.17 0.99 1.43 -1.26 -5.03 118.68 115.79 2dmk s LEU 10 Ca 0.00 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 2dmk s LEU 10 Cb 0.00 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 46.05 2dmk s LEU 10 CO 0.00 -0.16 1.56 -2.24 0.23 0.00 0.00 176.35 175.75 2dmk h ASP 11 N 7.72 0.97 -1.20 2.29 2.03 -2.01 -3.45 116.42 122.77 2dmk h ASP 11 Ca -0.32 -0.37 -0.68 0.00 -0.73 0.00 0.00 57.03 54.93 2dmk h ASP 11 Cb 1.13 -0.27 0.10 0.00 -0.83 0.00 0.00 39.33 39.46 2dmk h ASP 11 CO 0.36 1.15 -0.34 0.00 -1.03 0.00 0.00 179.24 179.38 2dmk n TYR 12 N -4.10 -0.06 0.00 4.15 0.18 -1.26 -4.88 117.16 111.18 2dmk n TYR 12 Ca -0.00 0.94 0.00 0.00 1.88 0.00 0.00 57.90 60.72 2dmk n TYR 12 Cb 0.46 -2.02 0.00 0.00 -0.38 0.00 0.00 39.34 37.40 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 2dmk n LEU 13 N 1.85 0.00 -0.20 -3.48 7.94 -1.26 -4.78 117.00 117.07 2dmk n LEU 13 Ca 0.17 -0.46 0.05 0.00 -1.11 0.00 0.00 56.01 54.67 2dmk n LEU 13 Cb 0.23 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.29 2dmk n LEU 13 CO 0.57 0.00 0.40 0.35 -1.11 0.00 0.00 177.39 177.60 2dmk n THR 14 N -0.93 -0.24 -4.66 1.96 -2.24 -1.26 -4.19 114.28 102.72 2dmk n THR 14 Ca 0.00 1.29 -0.25 0.00 -2.27 0.00 0.00 64.05 62.82 2dmk n THR 14 Cb 0.00 -1.82 -0.14 0.00 -2.10 0.00 0.00 70.33 66.27 2dmk n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmk s ALA 15 N -5.63 1.68 -0.02 6.98 0.00 -1.26 -2.99 121.76 120.52 2dmk s ALA 15 Ca -0.08 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 2dmk s ALA 15 Cb 0.16 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2dmk s ALA 15 CO 0.45 0.38 1.47 -1.25 0.00 0.00 0.00 175.76 176.80 2dmk s PRO 16 N -1.06 4.25 0.09 0.00 0.04 -1.26 -4.92 135.00 132.13 2dmk s PRO 16 Ca 0.07 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.78 2dmk s PRO 16 Cb -0.08 -3.68 -0.19 0.00 0.04 0.00 0.00 34.50 30.59 2dmk s PRO 16 CO 0.01 -0.66 0.85 0.09 0.04 0.00 0.00 177.00 177.33 2dmk n ASN 17 N 5.90 -0.45 -4.69 6.66 4.13 -1.26 -4.27 115.26 121.28 2dmk n ASN 17 Ca 0.14 1.15 -0.42 0.00 1.68 0.00 0.00 54.58 57.13 2dmk n ASN 17 Cb 0.43 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.70 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmk s PRO 18 N -0.43 4.27 0.65 3.52 0.04 -1.26 -4.83 135.00 136.97 2dmk s PRO 18 Ca 0.79 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.70 2dmk s PRO 18 Cb -1.11 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 29.88 2dmk s PRO 18 CO 0.56 -0.58 1.11 -1.25 0.04 0.00 0.00 177.00 176.88 2dmk s PRO 19 N 2.32 2.85 -0.41 0.56 0.04 -1.26 -4.90 135.00 134.20 2dmk s PRO 19 Ca 0.65 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 63.07 2dmk s PRO 19 Cb -0.33 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.37 2dmk s PRO 19 CO 0.28 -1.21 0.20 -1.12 0.04 0.00 0.00 177.00 175.19 2dmk s SER 20 N -2.52 5.26 -0.33 6.66 0.01 0.93 -4.80 113.70 118.92 2dmk s SER 20 Ca 0.67 -2.03 -0.29 0.00 1.31 0.00 0.00 55.95 55.62 2dmk s SER 20 Cb -0.21 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 2dmk s SER 20 CO 0.40 -0.54 1.70 -0.63 0.41 0.00 0.00 173.24 174.58 2dmk s ILE 21 N 1.14 3.58 -0.20 1.44 1.01 -1.26 -0.26 121.20 126.64 2dmk s ILE 21 Ca 0.08 0.60 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 2dmk s ILE 21 Cb -0.23 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2dmk s ILE 21 CO -0.04 -0.45 1.10 -0.13 0.00 0.00 0.00 174.94 175.42 2dmk s ARG 22 N 5.38 4.26 0.12 2.79 1.81 0.14 -4.90 118.95 128.55 2dmk s ARG 22 Ca 0.75 1.45 0.25 0.00 -1.72 0.00 0.00 55.73 56.47 2dmk s ARG 22 Cb -0.21 -3.67 0.55 0.00 -0.45 0.00 0.00 34.95 31.16 2dmk s ARG 22 CO 0.33 -0.64 1.49 0.39 -0.68 0.00 0.00 175.30 176.20 2dmk n GLU 23 N 6.33 0.23 0.08 3.54 1.02 -1.26 -2.39 120.64 128.19 2dmk n GLU 23 Ca 0.12 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2dmk n GLU 23 Cb 0.46 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 2dmk n GLU 23 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dmk h GLU 24 N 0.00 0.00 0.00 3.49 4.11 -1.96 -3.34 114.58 116.89 2dmk h GLU 24 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 2dmk h GLU 24 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2dmk h GLU 24 CO 0.00 0.44 -1.94 1.28 0.07 0.00 0.00 179.01 178.86 2dmk n LEU 25 N -3.07 0.34 -4.71 3.06 4.77 -1.24 -4.92 117.00 111.23 2dmk n LEU 25 Ca -0.04 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2dmk n LEU 25 Cb 0.81 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 42.10 2dmk n LEU 25 CO 0.42 0.27 1.05 0.00 -1.33 0.00 0.00 177.39 177.80 2dmk s THR 27 N 1.24 3.41 -0.02 0.00 -4.23 -0.27 -4.93 115.64 110.84 2dmk s THR 27 Ca 0.64 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 2dmk s THR 27 Cb -0.35 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2dmk s THR 27 CO 0.30 -0.10 -0.05 0.00 -0.54 0.00 0.00 174.62 174.23 2dmk s ALA 28 N -2.31 0.57 0.06 3.99 0.00 -1.26 -2.34 121.76 120.46 2dmk s ALA 28 Ca 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2dmk s ALA 28 Cb -0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2dmk s ALA 28 CO 0.30 0.07 -0.05 -1.12 0.00 0.00 0.00 175.76 174.95 2dmk s SER 29 N 0.34 0.71 0.03 0.00 0.01 0.45 -4.44 113.70 110.79 2dmk s SER 29 Ca -0.04 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.38 2dmk s SER 29 Cb -0.08 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2dmk s SER 29 CO -0.00 -0.40 0.89 0.00 0.41 0.00 0.00 173.24 174.14 2dmk n HIS 30 N 0.71 -0.07 -1.86 2.43 1.44 -1.26 -1.91 115.22 114.71 2dmk n HIS 30 Ca -0.18 0.20 -0.24 0.00 -2.01 0.00 0.00 57.72 55.49 2dmk n HIS 30 Cb 0.58 -0.43 0.05 0.00 0.12 0.00 0.00 29.99 30.30 2dmk n HIS 30 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dmk n ASP 31 N -3.23 5.17 -3.55 4.39 2.03 -1.25 -2.25 116.55 117.85 2dmk n ASP 31 Ca 0.00 -3.77 -0.16 0.00 0.52 0.00 0.00 54.79 51.39 2dmk n ASP 31 Cb 0.04 -0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.91 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dmk s THR 32 N -4.52 0.00 -0.24 5.18 -4.23 -0.80 -2.24 115.64 108.78 2dmk s THR 32 Ca 0.53 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 2dmk s THR 32 Cb 0.43 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 73.35 2dmk s THR 32 CO 0.02 0.00 0.57 -0.63 -0.54 0.00 0.00 174.62 174.05 2dmk s ILE 33 N -0.94 -0.31 -0.26 2.99 1.01 -0.94 0.17 121.20 122.91 2dmk s ILE 33 Ca -0.08 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2dmk s ILE 33 Cb -0.01 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2dmk s ILE 33 CO 0.07 0.02 0.09 -0.89 0.00 0.00 0.00 174.94 174.24 2dmk s THR 34 N 1.99 4.45 -0.29 2.92 2.01 -0.99 -1.69 115.64 124.04 2dmk s THR 34 Ca -0.08 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 2dmk s THR 34 Cb -0.08 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2dmk s THR 34 CO -0.17 0.28 0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 2dmk s VAL 35 N 1.63 4.27 -0.25 3.82 1.01 -1.23 -1.11 120.40 128.55 2dmk s VAL 35 Ca 0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2dmk s VAL 35 Cb -0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2dmk s VAL 35 CO 0.05 0.15 0.21 -1.00 0.00 0.00 0.00 175.10 174.51 2dmk s HIS 36 N 1.57 3.30 -0.06 5.22 3.76 -1.26 -3.43 115.29 124.39 2dmk s HIS 36 Ca 0.04 0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 2dmk s HIS 36 Cb -0.16 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 2dmk s HIS 36 CO 0.04 -0.01 -0.18 1.67 -0.85 0.00 0.00 174.74 175.41 2dmk s TRP 37 N 1.29 2.61 -0.10 1.40 -2.14 -0.94 0.28 118.94 121.34 2dmk s TRP 37 Ca 0.09 -0.40 0.02 0.00 2.66 0.00 0.00 56.10 58.47 2dmk s TRP 37 Cb -0.14 -1.64 -0.02 0.00 -3.10 0.00 0.00 33.47 28.57 2dmk s TRP 37 CO 0.07 0.00 -0.15 -1.50 -2.66 0.00 0.00 176.95 172.71 2dmk s ILE 38 N -0.42 2.91 0.06 0.66 1.10 0.64 -4.83 121.20 121.31 2dmk s ILE 38 Ca 0.04 -0.74 0.03 0.00 -0.51 0.00 0.00 60.65 59.48 2dmk s ILE 38 Cb -0.12 -2.18 -0.03 0.00 0.15 0.00 0.00 42.46 40.29 2dmk s ILE 38 CO 0.02 0.55 -0.10 -0.94 -2.11 0.00 0.00 174.94 172.36 2dmk s SER 39 N -0.05 1.12 0.17 4.50 1.04 -1.26 -0.05 113.70 119.17 2dmk s SER 39 Ca -0.04 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.88 2dmk s SER 39 Cb -0.14 0.01 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 2dmk s SER 39 CO 0.04 -0.18 1.37 0.44 0.98 0.00 0.00 173.24 175.88 2dmk h ASP 40 N 4.32 0.00 -3.07 7.02 3.32 -1.95 -3.41 116.42 122.65 2dmk h ASP 40 Ca -0.37 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.11 2dmk h ASP 40 Cb 1.20 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 2dmk h ASP 40 CO 0.42 0.88 -0.76 -1.81 -1.72 0.00 0.00 179.24 176.25 2dmk s ASP 41 N -6.71 3.88 -0.17 6.45 1.01 -1.26 -4.96 116.67 114.91 2dmk s ASP 41 Ca 0.01 -1.53 0.17 0.00 0.71 0.00 0.00 52.55 51.91 2dmk s ASP 41 Cb 0.10 -0.73 0.42 0.00 1.01 0.00 0.00 42.92 43.71 2dmk s ASP 41 CO 0.80 -0.42 1.29 -1.84 0.21 0.00 0.00 175.17 175.22 2dmk n GLU 42 N 4.95 2.04 -0.09 8.23 0.28 -1.26 -4.57 120.64 130.21 2dmk n GLU 42 Ca -0.03 -2.78 -0.12 0.00 -0.16 0.00 0.00 57.16 54.07 2dmk n GLU 42 Cb 0.42 -1.68 -0.15 0.00 1.43 0.00 0.00 31.44 31.47 2dmk n GLU 42 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2dmk n PHE 43 N -1.01 0.19 0.11 -1.84 3.01 -1.26 -4.46 117.46 112.20 2dmk n PHE 43 Ca 0.20 0.06 -0.23 0.00 1.01 0.00 0.00 57.45 58.49 2dmk n PHE 43 Cb 0.78 -1.03 -0.14 0.00 -0.01 0.00 0.00 39.48 39.08 2dmk n PHE 43 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2dmk h SER 44 N 0.00 0.81 -1.66 4.37 0.02 -1.99 -3.45 113.55 111.65 2dmk h SER 44 Ca -0.52 -0.87 -0.71 0.00 -0.84 0.00 0.00 61.79 58.85 2dmk h SER 44 Cb 2.12 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 64.42 2dmk h SER 44 CO 0.01 1.61 0.92 -0.38 -1.14 0.00 0.00 176.83 177.85 2dmk n ILE 45 N -3.83 0.34 -0.12 3.27 5.41 -1.26 -4.58 119.36 118.60 2dmk n ILE 45 Ca -0.15 -0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.41 2dmk n ILE 45 Cb 1.00 -1.34 -0.02 0.00 -0.71 0.00 0.00 39.64 38.56 2dmk n ILE 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dmk h SER 46 N 7.48 0.88 -4.93 4.38 0.02 -1.23 -3.47 113.55 116.67 2dmk h SER 46 Ca -0.47 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.07 2dmk h SER 46 Cb 1.31 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.49 2dmk h SER 46 CO 0.95 1.13 0.29 -0.94 -1.14 0.00 0.00 176.83 177.12 2dmk s SER 47 N -6.63 -0.47 0.04 3.07 1.04 -1.12 -5.03 113.70 104.59 2dmk s SER 47 Ca -0.12 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2dmk s SER 47 Cb 0.10 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 2dmk s SER 47 CO 0.85 -0.93 -0.04 -0.31 0.98 0.00 0.00 173.24 173.79 2dmk s TYR 48 N -3.60 2.94 -0.13 5.02 2.02 -0.83 -2.18 117.35 120.59 2dmk s TYR 48 Ca 0.04 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2dmk s TYR 48 Cb -0.02 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2dmk s TYR 48 CO -0.09 0.43 -0.20 -2.00 -1.57 0.00 0.00 175.55 172.12 2dmk s GLU 49 N -1.80 2.75 -0.03 -0.62 2.12 -0.80 -3.51 118.70 116.82 2dmk s GLU 49 Ca 0.21 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.73 2dmk s GLU 49 Cb -0.11 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2dmk s GLU 49 CO 0.12 -0.03 0.20 -1.17 -0.54 0.00 0.00 175.26 173.84 2dmk s LEU 50 N 0.87 4.38 -0.13 2.70 2.96 -1.25 -1.26 118.68 126.96 2dmk s LEU 50 Ca -0.07 0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 2dmk s LEU 50 Cb -0.15 -2.52 0.06 0.00 0.50 0.00 0.00 46.19 44.08 2dmk s LEU 50 CO -0.02 0.29 0.16 -1.10 -1.32 0.00 0.00 176.35 174.36 2dmk s GLN 51 N -1.68 0.07 0.03 1.98 -0.21 -1.18 -2.55 119.66 116.13 2dmk s GLN 51 Ca 0.25 0.35 0.05 0.00 0.02 0.00 0.00 55.36 56.03 2dmk s GLN 51 Cb -0.13 -0.79 -0.02 0.00 1.00 0.00 0.00 33.01 33.08 2dmk s GLN 51 CO 0.15 -0.46 -0.15 1.52 -2.12 0.00 0.00 175.29 174.22 2dmk s TYR 52 N 2.27 1.35 -0.09 0.91 1.13 -0.95 -1.38 117.35 120.60 2dmk s TYR 52 Ca 0.04 -0.34 -0.19 0.00 -1.41 0.00 0.00 57.07 55.18 2dmk s TYR 52 Cb -0.14 -0.81 0.04 0.00 -1.10 0.00 0.00 41.96 39.95 2dmk s TYR 52 CO -0.08 0.04 0.45 -0.08 -2.51 0.00 0.00 175.55 173.37 2dmk s THR 53 N -0.74 0.02 0.20 -3.49 -1.32 -1.07 -2.21 115.64 107.03 2dmk s THR 53 Ca 0.03 -0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.03 2dmk s THR 53 Cb -0.08 -0.71 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2dmk s THR 53 CO 0.01 -0.10 1.34 -0.63 -2.21 0.00 0.00 174.62 173.04 2dmk s ILE 54 N -0.63 3.10 -0.30 5.08 1.01 -1.26 -2.14 121.20 126.06 2dmk s ILE 54 Ca -0.07 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.49 2dmk s ILE 54 Cb -0.03 -3.57 0.07 0.00 0.01 0.00 0.00 42.46 38.93 2dmk s ILE 54 CO 0.04 0.13 -0.03 0.12 0.00 0.00 0.00 174.94 175.20 2dmk s PHE 55 N 0.18 3.39 -0.57 3.97 2.19 -0.95 -4.93 117.98 121.26 2dmk s PHE 55 Ca 0.58 -2.35 0.04 0.00 0.33 0.00 0.00 56.93 55.53 2dmk s PHE 55 Cb -0.38 -2.25 0.38 0.00 -1.31 0.00 0.00 43.02 39.46 2dmk s PHE 55 CO 0.38 -0.88 1.19 0.25 1.83 0.00 0.00 175.22 177.99 2dmk n THR 56 N 4.46 3.02 -2.05 0.12 -2.24 -1.26 -4.27 114.28 112.06 2dmk n THR 56 Ca -0.10 -5.20 -0.16 0.00 -2.27 0.00 0.00 64.05 56.32 2dmk n THR 56 Cb 0.42 -1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 2dmk n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmk n GLY 57 N -0.37 0.28 3.33 3.38 0.00 -1.26 -4.91 105.19 105.64 2dmk n GLY 57 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 2dmk n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dmk n GLN 58 N -2.58 -0.89 -0.41 1.61 7.27 -1.26 -4.94 117.38 116.19 2dmk n GLN 58 Ca -0.18 -0.23 -0.13 0.00 0.07 0.00 0.00 57.00 56.53 2dmk n GLN 58 Cb 0.60 -1.73 0.12 0.00 2.41 0.00 0.00 30.24 31.64 2dmk n GLN 58 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dmk n ALA 59 N -3.94 -2.20 -1.03 1.69 0.00 -1.26 -4.59 120.51 109.17 2dmk n ALA 59 Ca 0.03 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 2dmk n ALA 59 Cb 0.58 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2dmk n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dmk n ASN 60 N -1.37 0.55 -0.02 0.00 3.02 -1.26 -4.72 115.26 111.47 2dmk n ASN 60 Ca 0.06 0.72 -0.13 0.00 -0.03 0.00 0.00 54.58 55.19 2dmk n ASN 60 Cb 0.25 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 2dmk n ASN 60 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2dmk h PHE 61 N 2.75 -1.45 -0.66 3.10 3.57 -1.99 -0.41 116.94 121.84 2dmk h PHE 61 Ca -0.28 0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.55 2dmk h PHE 61 Cb 0.85 0.65 -0.12 0.00 2.79 0.00 0.00 35.95 40.12 2dmk h PHE 61 CO 0.38 -0.48 0.36 -0.89 -2.23 0.00 0.00 178.31 175.45 2dmk n ILE 62 N -5.11 -0.28 0.13 1.41 2.08 -1.26 -0.18 119.36 116.16 2dmk n ILE 62 Ca -0.05 1.34 -0.05 0.00 0.56 0.00 0.00 62.75 64.54 2dmk n ILE 62 Cb 0.33 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 2dmk n ILE 62 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2dmk h SER 63 N 0.00 -0.29 -0.85 4.38 0.02 -1.39 0.66 113.55 116.08 2dmk h SER 63 Ca 0.56 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.68 2dmk h SER 63 Cb 1.48 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 64.00 2dmk h SER 63 CO -0.51 -0.18 0.41 0.25 -1.14 0.00 0.00 176.83 175.67 2dmk h LEU 64 N -0.40 0.46 -0.83 5.07 5.85 -0.49 0.13 115.31 125.11 2dmk h LEU 64 Ca -0.04 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2dmk h LEU 64 Cb 0.26 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2dmk h LEU 64 CO 0.06 0.17 -0.48 0.22 -0.34 0.00 0.00 178.44 178.07 2dmk h TYR 65 N 0.56 0.30 0.00 1.25 3.20 -0.75 -2.84 116.97 118.69 2dmk h TYR 65 Ca 0.48 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.23 2dmk h TYR 65 Cb 0.73 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2dmk h TYR 65 CO -0.11 0.68 -0.12 -0.91 -1.64 0.00 0.00 178.16 176.06 2dmk h ASN 66 N 0.20 0.00 -3.17 -2.11 2.35 0.31 -3.27 115.58 109.89 2dmk h ASN 66 Ca 0.01 0.00 -0.72 0.00 -0.55 0.00 0.00 56.30 55.04 2dmk h ASN 66 Cb 0.92 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.95 2dmk h ASN 66 CO 0.07 0.12 0.07 -1.20 -1.65 0.00 0.00 177.43 174.85 2dmk n SER 67 N -4.27 4.70 -2.23 5.81 7.64 -0.87 -4.93 113.62 119.48 2dmk n SER 67 Ca -0.03 -3.20 -0.12 0.00 1.01 0.00 0.00 58.87 56.53 2dmk n SER 67 Cb 0.20 -1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 62.18 2dmk n SER 67 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2dmk n VAL 68 N 2.05 2.58 -0.03 0.44 0.24 -1.24 -4.12 118.33 118.25 2dmk n VAL 68 Ca 0.24 -1.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.12 2dmk n VAL 68 Cb 0.37 -1.97 -0.14 0.00 -1.47 0.00 0.00 33.84 30.63 2dmk n VAL 68 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2dmk n ASP 69 N 2.74 0.86 -0.07 -1.34 8.00 -1.26 -4.40 116.55 121.08 2dmk n ASP 69 Ca 0.39 0.39 -0.19 0.00 0.71 0.00 0.00 54.79 56.09 2dmk n ASP 69 Cb 0.69 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.63 2dmk n ASP 69 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2dmk n SER 70 N -3.04 1.94 -3.25 -2.24 2.88 -1.26 -4.98 113.62 103.67 2dmk n SER 70 Ca -0.18 0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.01 2dmk n SER 70 Cb 1.06 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 2dmk n SER 70 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2dmk n TRP 71 N -3.33 -0.15 -3.65 0.66 7.02 -1.26 -4.90 117.44 111.84 2dmk n TRP 71 Ca -0.39 0.73 -0.37 0.00 -1.02 0.00 0.00 57.50 56.45 2dmk n TRP 71 Cb 1.02 -1.46 -0.07 0.00 -2.42 0.00 0.00 31.31 28.38 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -0.55 3.96 0.06 -0.99 -1.94 -0.94 -4.98 119.30 113.93 2dmk s MET 72 Ca 0.52 0.05 0.09 0.00 -1.71 0.00 0.00 55.69 54.64 2dmk s MET 72 Cb -0.75 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 32.74 2dmk s MET 72 CO 0.41 0.48 -0.24 0.42 -0.01 0.00 0.00 175.02 176.09 2dmk s ILE 73 N -0.25 1.93 -0.38 2.53 1.09 -1.26 -2.23 121.20 122.62 2dmk s ILE 73 Ca 0.16 -1.37 0.01 0.00 -1.10 0.00 0.00 60.65 58.35 2dmk s ILE 73 Cb -0.13 -1.67 0.13 0.00 -1.06 0.00 0.00 42.46 39.73 2dmk s ILE 73 CO 0.05 0.24 0.20 -0.69 -0.10 0.00 0.00 174.94 174.63 2dmk s VAL 74 N -0.86 0.77 0.91 2.92 1.01 -1.06 -5.00 120.40 119.10 2dmk s VAL 74 Ca 0.10 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 59.97 2dmk s VAL 74 Cb -0.09 -1.56 0.23 0.00 0.00 0.00 0.00 36.38 34.95 2dmk s VAL 74 CO 0.03 -0.89 0.81 -0.81 0.00 0.00 0.00 175.10 174.24 2dmk n PRO 75 N 4.03 -2.59 -3.33 2.72 -0.04 -1.26 -3.78 135.00 130.74 2dmk n PRO 75 Ca 0.07 -1.29 -0.16 0.00 -0.04 0.00 0.00 63.50 62.08 2dmk n PRO 75 Cb 0.37 -1.21 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 2dmk n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmk n ASN 76 N -4.38 -2.83 -4.17 3.54 3.02 -1.26 -4.99 115.26 104.18 2dmk n ASN 76 Ca 0.11 -0.61 -0.36 0.00 -0.03 0.00 0.00 54.58 53.70 2dmk n ASN 76 Cb 0.43 -4.95 -0.13 0.00 -0.61 0.00 0.00 39.78 34.53 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmk s ILE 77 N -3.35 3.20 -0.39 2.41 1.01 -1.23 -4.96 121.20 117.89 2dmk s ILE 77 Ca 0.08 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.21 2dmk s ILE 77 Cb -0.01 -2.95 0.45 0.00 0.01 0.00 0.00 42.46 39.96 2dmk s ILE 77 CO 0.70 -0.31 1.35 0.29 0.00 0.00 0.00 174.94 176.98 2dmk n LYS 78 N 4.64 3.41 -4.25 2.79 4.76 -1.26 -1.97 118.16 126.28 2dmk n LYS 78 Ca -0.09 -4.04 -0.14 0.00 -2.87 0.00 0.00 58.31 51.17 2dmk n LYS 78 Cb 0.43 -2.28 -0.10 0.00 -1.84 0.00 0.00 35.03 31.24 2dmk n LYS 78 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2dmk s GLN 79 N -3.65 1.20 -0.01 1.97 -2.07 -1.26 -5.04 119.66 110.80 2dmk s GLN 79 Ca 0.53 -1.61 0.14 0.00 -1.82 0.00 0.00 55.36 52.61 2dmk s GLN 79 Cb 0.43 -0.16 0.44 0.00 -1.09 0.00 0.00 33.01 32.62 2dmk s GLN 79 CO -0.01 -0.22 1.35 0.09 -1.32 0.00 0.00 175.29 175.18 2dmk n ASN 80 N -0.30 2.72 -3.52 12.60 4.13 -1.26 -4.82 115.26 124.81 2dmk n ASN 80 Ca -0.03 -2.05 -0.00 0.00 1.68 0.00 0.00 54.58 54.17 2dmk n ASN 80 Cb 0.65 -0.35 -0.05 0.00 -1.54 0.00 0.00 39.78 38.48 2dmk n ASN 80 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2dmk s HIS 81 N -1.42 -0.63 -0.16 3.10 -3.43 -1.26 -2.22 115.29 109.27 2dmk s HIS 81 Ca 0.33 1.16 -0.00 0.00 -0.80 0.00 0.00 55.06 55.75 2dmk s HIS 81 Cb 0.18 0.38 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2dmk s HIS 81 CO 0.21 -0.31 -0.14 -0.47 -2.00 0.00 0.00 174.74 172.03 2dmk s TYR 82 N 1.93 2.80 -0.48 0.38 6.14 -1.22 -4.96 117.35 121.95 2dmk s TYR 82 Ca -0.06 -0.99 -0.23 0.00 0.64 0.00 0.00 57.07 56.43 2dmk s TYR 82 Cb -0.05 -1.90 0.03 0.00 0.42 0.00 0.00 41.96 40.46 2dmk s TYR 82 CO -0.16 -0.45 0.80 0.99 0.64 0.00 0.00 175.55 177.37 2dmk s THR 83 N 0.82 4.61 0.08 4.34 2.01 -1.26 -3.47 115.64 122.77 2dmk s THR 83 Ca -0.05 0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 2dmk s THR 83 Cb -0.15 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 67.93 2dmk s THR 83 CO 0.00 -0.81 0.82 -0.69 -0.69 0.00 0.00 174.62 173.25 2dmk s VAL 84 N 3.37 4.61 0.08 3.82 1.01 -0.68 -4.91 120.40 127.70 2dmk s VAL 84 Ca 0.29 1.75 0.09 0.00 0.00 0.00 0.00 61.98 64.11 2dmk s VAL 84 Cb -0.13 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2dmk s VAL 84 CO 0.21 0.38 -0.23 -1.00 0.00 0.00 0.00 175.10 174.46 2dmk s HIS 85 N -0.22 2.42 0.00 5.22 3.76 -1.26 -2.22 115.29 122.99 2dmk s HIS 85 Ca 0.40 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2dmk s HIS 85 Cb -0.22 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.12 2dmk s HIS 85 CO 0.25 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 2dmk n GLY 86 N 1.25 0.64 3.71 -2.22 0.00 -0.95 -5.00 105.19 102.63 2dmk n GLY 86 Ca -0.17 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 2dmk n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 87 N -0.48 3.28 -0.14 0.99 1.43 -1.24 -5.01 118.68 117.50 2dmk s LEU 87 Ca 0.00 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 2dmk s LEU 87 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2dmk s LEU 87 CO 0.00 -0.16 0.48 -1.10 0.23 0.00 0.00 176.35 175.80 2dmk s GLN 88 N -3.78 4.30 0.69 1.70 -1.52 -1.25 -3.93 119.66 115.86 2dmk s GLN 88 Ca 0.35 0.42 -0.17 0.00 -1.95 0.00 0.00 55.36 54.02 2dmk s GLN 88 Cb -0.04 -3.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.29 2dmk s GLN 88 CO 0.22 0.08 1.19 -1.13 -0.25 0.00 0.00 175.29 175.39 2dmk n SER 89 N 3.98 1.45 -3.83 5.90 3.41 -0.96 -3.51 113.62 120.05 2dmk n SER 89 Ca -0.07 0.74 -0.33 0.00 -0.26 0.00 0.00 58.87 58.96 2dmk n SER 89 Cb 0.51 -1.51 0.02 0.00 -0.26 0.00 0.00 64.21 62.97 2dmk n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmk n GLY 90 N 0.91 -1.07 3.37 5.00 0.00 -0.92 -4.95 105.19 107.52 2dmk n GLY 90 Ca 0.15 0.47 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 2dmk n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmk s THR 91 N -3.28 0.01 0.29 2.61 2.01 -1.23 -4.93 115.64 111.13 2dmk s THR 91 Ca 0.27 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 2dmk s THR 91 Cb -0.13 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.57 2dmk s THR 91 CO 0.91 -0.06 1.15 -0.13 -0.69 0.00 0.00 174.62 175.80 2dmk s ARG 92 N -0.35 4.57 -0.06 4.92 0.52 -1.26 -2.95 118.95 124.33 2dmk s ARG 92 Ca -0.05 1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 57.04 2dmk s ARG 92 Cb -0.03 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 32.32 2dmk s ARG 92 CO 0.03 0.11 0.12 0.71 0.02 0.00 0.00 175.30 176.29 2dmk s TYR 93 N -1.16 -0.11 -0.01 -0.53 1.51 -0.01 -2.24 117.35 114.80 2dmk s TYR 93 Ca 0.46 0.47 -0.15 0.00 -1.01 0.00 0.00 57.07 56.83 2dmk s TYR 93 Cb -0.34 -0.27 -0.06 0.00 -0.11 0.00 0.00 41.96 41.19 2dmk s TYR 93 CO 0.44 -0.21 0.42 0.42 -1.11 0.00 0.00 175.55 175.51 2dmk s ILE 94 N 1.91 5.04 -0.07 2.71 1.01 -0.91 -0.35 121.20 130.54 2dmk s ILE 94 Ca -0.00 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.55 2dmk s ILE 94 Cb -0.12 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.62 2dmk s ILE 94 CO -0.05 0.54 -0.17 -0.36 0.00 0.00 0.00 174.94 174.91 2dmk s PHE 95 N -0.82 1.81 -0.24 3.97 0.40 -0.45 -2.59 117.98 120.07 2dmk s PHE 95 Ca 0.24 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 2dmk s PHE 95 Cb -0.17 -1.26 0.08 0.00 0.51 0.00 0.00 43.02 42.18 2dmk s PHE 95 CO 0.13 -0.29 0.07 0.42 0.70 0.00 0.00 175.22 176.25 2dmk s ILE 96 N 0.43 0.50 -0.09 0.64 1.01 -0.48 -1.62 121.20 121.61 2dmk s ILE 96 Ca -0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 2dmk s ILE 96 Cb -0.15 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2dmk s ILE 96 CO 0.05 -0.42 0.80 -0.69 0.00 0.00 0.00 174.94 174.67 2dmk s VAL 97 N 1.84 4.96 -0.29 2.92 1.01 -1.26 -3.09 120.40 126.48 2dmk s VAL 97 Ca 0.04 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 2dmk s VAL 97 Cb -0.17 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.13 2dmk s VAL 97 CO -0.17 0.16 -0.02 -0.75 0.00 0.00 0.00 175.10 174.31 2dmk s LYS 98 N 1.31 2.43 -0.11 2.72 2.20 -0.39 -2.64 119.74 125.27 2dmk s LYS 98 Ca 0.41 -1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 54.47 2dmk s LYS 98 Cb -0.18 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2dmk s LYS 98 CO 0.18 -0.60 0.97 0.00 -0.36 0.00 0.00 175.35 175.54 2dmk s ALA 99 N 1.23 3.41 -0.06 3.13 0.00 -1.14 -1.90 121.76 126.43 2dmk s ALA 99 Ca -0.05 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.26 2dmk s ALA 99 Cb -0.20 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2dmk s ALA 99 CO -0.02 -0.57 -0.13 0.42 0.00 0.00 0.00 175.76 175.45 2dmk s ILE 100 N 1.94 3.13 0.24 0.00 1.01 -0.92 -1.75 121.20 124.84 2dmk s ILE 100 Ca 0.47 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2dmk s ILE 100 Cb -0.18 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2dmk s ILE 100 CO 0.18 0.58 0.26 -0.46 0.00 0.00 0.00 174.94 175.50 2dmk n ASN 101 N 2.43 -0.69 0.04 3.58 6.94 -0.10 -0.70 115.26 126.75 2dmk n ASN 101 Ca -0.17 -2.44 0.12 0.00 -0.02 0.00 0.00 54.58 52.07 2dmk n ASN 101 Cb 0.52 1.42 0.58 0.00 -2.36 0.00 0.00 39.78 39.95 2dmk n ASN 101 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2dmk h GLN 102 N 0.00 0.20 0.01 -3.83 4.15 -1.95 -3.16 115.11 110.53 2dmk h GLN 102 Ca -0.17 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2dmk h GLN 102 Cb 0.83 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2dmk h GLN 102 CO 0.25 0.14 -0.00 0.00 -1.93 0.00 0.00 178.83 177.28 2dmk h ALA 103 N 1.79 -0.32 -3.00 3.38 0.00 -1.81 -3.51 119.26 115.79 2dmk h ALA 103 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dmk h ALA 103 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dmk h ALA 103 CO -0.03 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2dmk n GLY 104 N 1.03 3.12 3.11 0.00 0.00 -1.16 -4.93 105.19 106.36 2dmk n GLY 104 Ca -0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2dmk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 105 N 2.00 1.16 -0.23 1.61 1.04 -1.26 -0.93 113.70 117.09 2dmk s SER 105 Ca 0.00 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 2dmk s SER 105 Cb 0.00 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.20 2dmk s SER 105 CO 0.00 -0.19 0.05 -0.60 0.98 0.00 0.00 173.24 173.49 2dmk s ARG 106 N -1.86 0.68 -0.15 4.02 6.06 -0.72 -4.64 118.95 122.35 2dmk s ARG 106 Ca -0.05 -0.62 -0.29 0.00 -2.50 0.00 0.00 55.73 52.27 2dmk s ARG 106 Cb -0.09 -2.03 -0.01 0.00 0.06 0.00 0.00 34.95 32.89 2dmk s ARG 106 CO 0.01 -0.76 0.98 -0.80 -2.50 0.00 0.00 175.30 172.23 2dmk s ASN 107 N 1.79 7.16 0.99 -2.12 -0.87 -1.26 -2.87 114.94 117.75 2dmk s ASN 107 Ca 0.02 1.43 -0.16 0.00 -1.57 0.00 0.00 52.86 52.57 2dmk s ASN 107 Cb -0.17 -2.53 0.21 0.00 -0.02 0.00 0.00 41.25 38.74 2dmk s ASN 107 CO -0.14 -0.49 1.32 -0.55 -2.57 0.00 0.00 177.10 174.67 2dmk s SER 108 N 1.13 2.89 0.50 -1.22 0.15 -1.08 -5.02 113.70 111.05 2dmk s SER 108 Ca 0.45 0.25 -0.20 0.00 0.70 0.00 0.00 55.95 57.16 2dmk s SER 108 Cb -0.17 -0.27 -0.08 0.00 -1.71 0.00 0.00 66.02 63.79 2dmk s SER 108 CO 0.14 -2.87 1.04 -1.61 1.20 0.00 0.00 173.24 171.15 2dmk s GLU 109 N -5.89 3.73 -0.23 5.44 0.41 -1.26 -4.82 118.70 116.08 2dmk s GLU 109 Ca 0.75 1.35 -0.29 0.00 -0.41 0.00 0.00 54.97 56.37 2dmk s GLU 109 Cb -0.04 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.21 2dmk s GLU 109 CO 0.53 -0.49 1.61 -1.25 -0.49 0.00 0.00 175.26 175.18 2dmk s PRO 110 N -3.33 3.77 -0.49 0.39 0.04 -1.26 -4.72 135.00 129.40 2dmk s PRO 110 Ca 0.67 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2dmk s PRO 110 Cb -0.17 -4.04 0.09 0.00 0.04 0.00 0.00 34.50 30.42 2dmk s PRO 110 CO 0.22 -1.32 0.41 0.99 0.04 0.00 0.00 177.00 177.35 2dmk s THR 111 N 5.26 5.14 0.18 1.26 2.01 -0.64 -4.91 115.64 123.93 2dmk s THR 111 Ca 0.71 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2dmk s THR 111 Cb -0.24 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.05 2dmk s THR 111 CO 0.29 -0.65 1.05 -0.13 -0.69 0.00 0.00 174.62 174.49 2dmk s ARG 112 N 1.61 4.65 0.27 4.92 0.52 -1.26 -1.34 118.95 128.32 2dmk s ARG 112 Ca 0.04 1.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.91 2dmk s ARG 112 Cb -0.26 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 2dmk s ARG 112 CO 0.05 0.17 0.07 -0.51 0.02 0.00 0.00 175.30 175.09 2dmk s LEU 113 N -0.46 1.90 -0.01 2.53 1.43 0.53 -4.96 118.68 119.63 2dmk s LEU 113 Ca 0.47 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 2dmk s LEU 113 Cb -0.28 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2dmk s LEU 113 CO 0.34 -0.65 -0.05 -0.54 0.23 0.00 0.00 176.35 175.67 2dmk s LYS 114 N -3.96 0.54 0.88 1.70 1.02 -1.26 -0.83 119.74 117.83 2dmk s LYS 114 Ca 0.35 -0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.08 2dmk s LYS 114 Cb 0.08 -0.55 0.19 0.00 -0.52 0.00 0.00 37.83 37.03 2dmk s LYS 114 CO 0.13 0.07 1.20 0.95 -0.92 0.00 0.00 175.35 176.79 2dmk s THR 115 N 0.14 2.01 0.04 2.17 -4.23 -1.15 -4.71 115.64 109.92 2dmk s THR 115 Ca -0.01 -0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 2dmk s THR 115 Cb -0.06 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 2dmk s THR 115 CO -0.00 0.00 0.41 0.20 -0.54 0.00 0.00 174.62 174.69 2dmk s ASN 116 N -4.88 6.74 0.00 3.99 0.01 -1.26 -4.29 114.94 115.24 2dmk s ASN 116 Ca 0.73 0.90 0.00 0.00 -0.71 0.00 0.00 52.86 53.77 2dmk s ASN 116 Cb -0.03 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2dmk s ASN 116 CO 0.50 0.25 0.76 -0.24 -1.51 0.00 0.00 177.10 176.86 2dmk n SER 117 N 1.37 0.00 -4.20 -1.22 2.88 -1.26 -2.16 113.62 109.03 2dmk n SER 117 Ca -0.11 0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 58.08 2dmk n SER 117 Cb 0.52 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dmk s GLN 118 N -2.77 0.98 0.60 -1.46 -0.21 -1.26 -3.74 119.66 111.79 2dmk s GLN 118 Ca 0.00 -1.44 -0.10 0.00 0.02 0.00 0.00 55.36 53.84 2dmk s GLN 118 Cb 0.00 -0.21 0.15 0.00 1.00 0.00 0.00 33.01 33.95 2dmk s GLN 118 CO 0.00 -0.09 0.53 -0.35 -2.12 0.00 0.00 175.29 173.26 2dmk n PRO 119 N -0.15 -2.06 -1.84 2.91 -0.04 -1.26 -4.83 135.00 127.74 2dmk n PRO 119 Ca -0.09 -0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 62.10 2dmk n PRO 119 Cb 0.62 -0.79 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 2dmk n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmk s PHE 120 N -1.96 1.57 0.23 0.54 0.08 -1.26 -4.97 117.98 112.21 2dmk s PHE 120 Ca 0.34 0.40 0.12 0.00 0.12 0.00 0.00 56.93 57.91 2dmk s PHE 120 Cb -0.03 -4.04 -0.05 0.00 -0.57 0.00 0.00 43.02 38.33 2dmk s PHE 120 CO 0.26 -3.77 -0.22 0.15 -0.10 0.00 0.00 175.22 171.55 2dmk s LYS 121 N 5.46 1.60 -0.22 0.44 1.02 -1.26 -5.12 119.74 121.66 2dmk s LYS 121 Ca 0.86 -1.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.06 2dmk s LYS 121 Cb -0.30 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2dmk s LYS 121 CO 0.34 0.37 0.39 0.45 -0.92 0.00 0.00 175.35 175.98 2dmk s SER 122 N -3.06 6.40 0.00 2.83 0.15 -1.26 -4.84 113.70 113.91 2dmk s SER 122 Ca 0.25 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2dmk s SER 122 Cb -0.07 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2dmk s SER 122 CO 0.12 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2dmk n GLY 123 N 4.07 4.40 0.05 9.45 0.00 -1.26 -5.00 105.19 116.89 2dmk n GLY 123 Ca -0.08 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 44.86 2dmk n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmk n PRO 124 N 0.00 0.07 -0.04 1.61 -0.04 -1.26 -3.00 135.00 132.35 2dmk n PRO 124 Ca 0.00 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.56 2dmk n PRO 124 Cb 0.00 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.69 2dmk n PRO 124 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmk h SER 125 N 0.00 0.25 -3.19 3.54 4.64 -1.96 -3.47 113.55 113.36 2dmk h SER 125 Ca 0.00 -0.77 -0.39 0.00 -0.47 0.00 0.00 61.79 60.17 2dmk h SER 125 Cb 0.29 -0.08 0.21 0.00 -0.31 0.00 0.00 62.40 62.50 2dmk h SER 125 CO 0.00 1.69 -0.01 -0.24 -0.87 0.00 0.00 176.83 177.41 2dmk n SER 126 N -3.90 -3.01 0.00 4.97 2.88 -1.16 -5.21 113.62 108.18 2dmk n SER 126 Ca -0.31 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 2dmk n SER 126 Cb 0.89 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42