#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk n SER 2 N 0.00 -0.19 -0.12 1.61 7.64 -1.26 -4.89 113.62 116.41 2dmk n SER 2 Ca 0.00 1.09 -0.24 0.00 1.01 0.00 0.00 58.87 60.73 2dmk n SER 2 Cb 0.00 -0.87 -0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2dmk n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmk n SER 3 N 1.48 1.77 0.00 6.43 2.88 -1.26 -5.07 113.62 119.86 2dmk n SER 3 Ca 0.19 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dmk n SER 3 Cb 0.10 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2dmk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmk n GLY 4 N 1.64 2.86 3.48 0.46 0.00 -1.26 -5.10 105.19 107.26 2dmk n GLY 4 Ca -0.46 -0.40 -0.55 0.00 0.00 0.00 0.00 46.02 44.61 2dmk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmk n SER 5 N 0.00 1.89 -0.33 1.61 7.64 -1.26 -4.80 113.62 118.38 2dmk n SER 5 Ca 0.00 0.65 -0.02 0.00 1.01 0.00 0.00 58.87 60.51 2dmk n SER 5 Cb 0.00 -1.15 0.02 0.00 -1.01 0.00 0.00 64.21 62.07 2dmk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmk n SER 6 N 8.11 -0.59 0.00 6.43 7.64 -1.26 -4.88 113.62 129.06 2dmk n SER 6 Ca 0.40 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.74 2dmk n SER 6 Cb 0.14 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2dmk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmk n GLY 7 N -1.37 1.62 3.56 0.23 0.00 -1.26 -5.02 105.19 102.95 2dmk n GLY 7 Ca 0.07 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 2dmk n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmk s GLU 8 N -1.82 1.85 0.00 1.61 8.01 -1.26 -4.87 118.70 122.22 2dmk s GLU 8 Ca 0.00 0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.05 2dmk s GLU 8 Cb 0.00 -4.91 0.00 0.00 -4.31 0.00 0.00 34.13 24.91 2dmk s GLU 8 CO 0.00 -4.28 0.00 0.41 0.01 0.00 0.00 175.26 171.40 2dmk n GLY 9 N 6.69 -0.82 3.47 -1.39 0.00 -1.26 -4.25 105.19 107.62 2dmk n GLY 9 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 2dmk n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 10 N 0.00 0.81 -2.04 0.99 4.77 -1.26 -4.76 117.00 115.51 2dmk n LEU 10 Ca 0.00 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 2dmk n LEU 10 Cb 0.00 -1.04 0.09 0.00 -2.33 0.00 0.00 43.42 40.14 2dmk n LEU 10 CO 0.00 -0.86 1.24 0.47 -1.33 0.00 0.00 177.39 176.91 2dmk n ASP 11 N 10.83 5.62 -4.72 -1.43 8.00 -1.26 -4.92 116.55 128.67 2dmk n ASP 11 Ca 0.58 -3.34 -0.34 0.00 0.71 0.00 0.00 54.79 52.40 2dmk n ASP 11 Cb 0.11 -0.91 -0.08 0.00 -0.02 0.00 0.00 41.12 40.22 2dmk n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2dmk s TYR 12 N -2.70 3.20 0.00 1.24 -0.85 -1.26 -4.99 117.35 111.99 2dmk s TYR 12 Ca 0.46 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 2dmk s TYR 12 Cb 0.37 -1.76 0.00 0.00 0.38 0.00 0.00 41.96 40.95 2dmk s TYR 12 CO 0.03 0.51 0.05 1.47 -1.52 0.00 0.00 175.55 176.09 2dmk n LEU 13 N 1.74 0.10 -0.17 -3.49 -0.00 -1.26 -4.79 117.00 109.12 2dmk n LEU 13 Ca -0.16 -0.41 0.16 0.00 -0.00 0.00 0.00 56.01 55.60 2dmk n LEU 13 Cb 0.53 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.25 2dmk n LEU 13 CO 0.32 0.02 0.54 1.07 -0.00 0.00 0.00 177.39 179.34 2dmk n THR 14 N -0.63 -0.20 -3.78 1.47 5.66 -1.26 -3.90 114.28 111.64 2dmk n THR 14 Ca 0.00 1.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.85 2dmk n THR 14 Cb 0.01 -1.62 -0.16 0.00 -1.55 0.00 0.00 70.33 67.01 2dmk n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmk s ALA 15 N -4.72 0.06 -0.01 1.79 0.00 -1.26 -3.39 121.76 114.22 2dmk s ALA 15 Ca -0.04 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2dmk s ALA 15 Cb 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2dmk s ALA 15 CO 0.39 -0.10 1.46 -1.25 0.00 0.00 0.00 175.76 176.26 2dmk s PRO 16 N 0.97 4.25 0.25 0.00 0.04 -1.25 -4.95 135.00 134.31 2dmk s PRO 16 Ca -0.08 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2dmk s PRO 16 Cb -0.12 -3.64 -0.15 0.00 0.04 0.00 0.00 34.50 30.63 2dmk s PRO 16 CO -0.03 -0.64 1.04 0.09 0.04 0.00 0.00 177.00 177.50 2dmk n ASN 17 N 5.72 1.22 -4.68 6.66 4.13 -1.26 -4.30 115.26 122.76 2dmk n ASN 17 Ca 0.14 1.16 -0.42 0.00 1.68 0.00 0.00 54.58 57.14 2dmk n ASN 17 Cb 0.43 -1.25 -0.03 0.00 -1.54 0.00 0.00 39.78 37.39 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 -1.14 4.25 0.83 3.52 0.04 -1.26 -4.85 135.00 136.38 2dmk s PRO 18 Ca 0.63 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2dmk s PRO 18 Cb -0.76 -3.66 0.09 0.00 0.04 0.00 0.00 34.50 30.21 2dmk s PRO 18 CO 0.57 -0.65 1.09 -1.25 0.04 0.00 0.00 177.00 176.80 2dmk s PRO 19 N 2.80 1.83 -0.26 0.56 0.04 -1.26 -5.01 135.00 133.68 2dmk s PRO 19 Ca 0.66 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2dmk s PRO 19 Cb -0.32 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.43 2dmk s PRO 19 CO 0.27 -1.90 -0.08 -1.12 0.04 0.00 0.00 177.00 174.20 2dmk s SER 20 N -3.41 4.37 -0.51 6.66 0.01 -0.81 -4.71 113.70 115.30 2dmk s SER 20 Ca 0.62 -1.43 -0.28 0.00 1.31 0.00 0.00 55.95 56.17 2dmk s SER 20 Cb -0.17 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 2dmk s SER 20 CO 0.56 -0.22 1.68 -0.63 0.41 0.00 0.00 173.24 175.05 2dmk s ILE 21 N 1.14 3.55 -0.73 1.44 1.01 -1.26 -0.38 121.20 125.96 2dmk s ILE 21 Ca -0.06 0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 2dmk s ILE 21 Cb -0.20 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 2dmk s ILE 21 CO -0.06 -0.84 1.87 -0.13 0.00 0.00 0.00 174.94 175.78 2dmk s ARG 22 N 6.07 2.64 0.43 2.79 1.81 0.22 -4.81 118.95 128.10 2dmk s ARG 22 Ca 0.66 0.21 0.11 0.00 -1.72 0.00 0.00 55.73 54.99 2dmk s ARG 22 Cb -0.15 -4.66 0.94 0.00 -0.45 0.00 0.00 34.95 30.64 2dmk s ARG 22 CO 0.26 -2.95 2.01 0.93 -0.68 0.00 0.00 175.30 174.87 2dmk h GLU 23 N 13.32 0.20 -0.57 3.54 5.08 -1.91 0.23 114.58 134.47 2dmk h GLU 23 Ca -0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2dmk h GLU 23 Cb 1.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2dmk h GLU 23 CO 1.22 0.26 0.10 1.05 -1.00 0.00 0.00 179.01 180.64 2dmk h GLU 24 N 0.20 0.90 0.00 2.33 4.11 -1.96 -2.81 114.58 117.35 2dmk h GLU 24 Ca 0.05 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 59.10 2dmk h GLU 24 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2dmk h GLU 24 CO 0.01 0.83 -1.04 -0.07 0.07 0.00 0.00 179.01 178.81 2dmk h LEU 25 N 0.85 0.00 -9.85 3.06 3.38 -1.77 -3.47 115.31 107.52 2dmk h LEU 25 Ca 0.18 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.65 2dmk h LEU 25 Cb 0.36 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.33 2dmk h LEU 25 CO 0.01 0.69 -0.55 0.00 0.09 0.00 0.00 178.44 178.68 2dmk s THR 27 N -2.39 0.00 -0.09 0.00 -4.23 -0.42 -5.00 115.64 103.52 2dmk s THR 27 Ca 0.59 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 2dmk s THR 27 Cb -0.19 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 2dmk s THR 27 CO 0.66 -0.01 -0.16 0.00 -0.54 0.00 0.00 174.62 174.56 2dmk s ALA 28 N 0.09 2.53 0.29 3.99 0.00 -1.26 -1.22 121.76 126.18 2dmk s ALA 28 Ca -0.00 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2dmk s ALA 28 Cb -0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 2dmk s ALA 28 CO 0.00 0.39 -0.00 -1.12 0.00 0.00 0.00 175.76 175.03 2dmk s SER 29 N -0.12 2.42 0.00 0.00 0.01 0.28 -4.37 113.70 111.92 2dmk s SER 29 Ca -0.02 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2dmk s SER 29 Cb -0.14 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2dmk s SER 29 CO 0.04 -0.48 0.82 0.00 0.41 0.00 0.00 173.24 174.03 2dmk n HIS 30 N -0.59 0.00 -1.24 2.43 1.44 -1.26 -2.87 115.22 113.13 2dmk n HIS 30 Ca -0.04 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.75 2dmk n HIS 30 Cb 0.65 -0.38 0.17 0.00 0.12 0.00 0.00 29.99 30.54 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2dmk n ASP 31 N -2.64 2.25 -4.09 4.39 8.00 -1.26 -3.09 116.55 120.11 2dmk n ASP 31 Ca 0.00 -3.36 -0.09 0.00 0.71 0.00 0.00 54.79 52.05 2dmk n ASP 31 Cb 0.00 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dmk s THR 32 N -3.00 0.36 -0.23 -3.53 -4.23 -1.14 -1.90 115.64 101.97 2dmk s THR 32 Ca 0.35 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.13 2dmk s THR 32 Cb 0.32 -1.20 0.07 0.00 1.34 0.00 0.00 72.50 73.02 2dmk s THR 32 CO 0.00 -0.79 0.58 -0.63 -0.54 0.00 0.00 174.62 173.24 2dmk s ILE 33 N -3.05 -0.01 -0.22 2.99 1.01 -1.00 0.10 121.20 121.02 2dmk s ILE 33 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2dmk s ILE 33 Cb 0.02 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2dmk s ILE 33 CO -0.06 0.01 -0.09 -0.89 0.00 0.00 0.00 174.94 173.92 2dmk s THR 34 N 1.26 2.91 -0.18 2.92 2.01 -0.36 -0.58 115.64 123.62 2dmk s THR 34 Ca -0.08 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2dmk s THR 34 Cb -0.06 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2dmk s THR 34 CO -0.13 0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 2dmk s VAL 35 N 1.39 4.60 -0.24 3.82 1.01 -1.23 -1.30 120.40 128.45 2dmk s VAL 35 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2dmk s VAL 35 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2dmk s VAL 35 CO -0.06 0.46 0.03 -1.00 0.00 0.00 0.00 175.10 174.52 2dmk s HIS 36 N 0.46 3.04 -0.13 5.22 3.76 -1.26 -3.27 115.29 123.10 2dmk s HIS 36 Ca 0.02 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.28 2dmk s HIS 36 Cb -0.13 -2.19 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 2dmk s HIS 36 CO 0.01 -0.44 -0.05 1.67 -0.85 0.00 0.00 174.74 175.08 2dmk s TRP 37 N 1.56 2.99 -0.19 1.40 -2.14 -1.08 0.70 118.94 122.17 2dmk s TRP 37 Ca 0.06 -0.25 -0.08 0.00 2.66 0.00 0.00 56.10 58.49 2dmk s TRP 37 Cb -0.15 -1.89 -0.04 0.00 -3.10 0.00 0.00 33.47 28.29 2dmk s TRP 37 CO 0.01 0.04 0.08 -1.50 -2.66 0.00 0.00 176.95 172.92 2dmk s ILE 38 N 0.07 4.87 0.02 0.66 1.10 0.49 -4.85 121.20 123.56 2dmk s ILE 38 Ca -0.01 -0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.13 2dmk s ILE 38 Cb -0.14 -3.21 -0.01 0.00 0.15 0.00 0.00 42.46 39.25 2dmk s ILE 38 CO 0.03 0.44 -0.04 -0.44 -2.11 0.00 0.00 174.94 172.83 2dmk s SER 39 N 0.49 0.35 -0.17 4.50 0.01 -1.26 -1.92 113.70 115.70 2dmk s SER 39 Ca 0.04 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.93 2dmk s SER 39 Cb -0.12 0.04 -0.23 0.00 0.21 0.00 0.00 66.02 65.92 2dmk s SER 39 CO 0.01 -0.17 0.15 -0.67 0.41 0.00 0.00 173.24 172.97 2dmk n ASP 40 N 2.07 2.01 -4.10 2.44 -0.08 -1.26 -4.68 116.55 112.95 2dmk n ASP 40 Ca -0.20 0.08 -0.36 0.00 -1.51 0.00 0.00 54.79 52.81 2dmk n ASP 40 Cb 0.56 -0.65 -0.08 0.00 2.34 0.00 0.00 41.12 43.30 2dmk n ASP 40 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2dmk s ASP 41 N -6.80 5.69 -0.18 1.67 1.01 -1.26 -4.83 116.67 111.97 2dmk s ASP 41 Ca -0.26 -3.43 0.16 0.00 0.71 0.00 0.00 52.55 49.73 2dmk s ASP 41 Cb 0.07 -1.88 0.44 0.00 1.01 0.00 0.00 42.92 42.56 2dmk s ASP 41 CO 0.71 -0.25 1.32 -1.84 0.21 0.00 0.00 175.17 175.33 2dmk n GLU 42 N 2.72 2.12 -0.04 8.23 0.28 -1.26 -4.57 120.64 128.12 2dmk n GLU 42 Ca 0.17 -2.83 -0.12 0.00 -0.16 0.00 0.00 57.16 54.22 2dmk n GLU 42 Cb 0.37 -1.71 -0.14 0.00 1.43 0.00 0.00 31.44 31.39 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 -0.96 0.83 0.04 -1.84 3.01 -1.26 -4.40 117.46 112.88 2dmk n PHE 43 Ca 0.21 0.25 -0.21 0.00 1.01 0.00 0.00 57.45 58.72 2dmk n PHE 43 Cb 0.81 -1.14 -0.14 0.00 -0.01 0.00 0.00 39.48 39.00 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 0.02 0.46 -1.25 4.37 0.02 -2.00 -3.46 113.55 111.70 2dmk h SER 44 Ca -0.38 -0.92 -0.81 0.00 -0.84 0.00 0.00 61.79 58.84 2dmk h SER 44 Cb 2.05 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 64.46 2dmk h SER 44 CO 0.06 1.48 0.73 -0.38 -1.14 0.00 0.00 176.83 177.58 2dmk n ILE 45 N -4.04 0.12 -0.27 3.27 5.41 -1.26 -4.71 119.36 117.88 2dmk n ILE 45 Ca -0.18 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.48 2dmk n ILE 45 Cb 0.86 -0.78 0.05 0.00 -0.71 0.00 0.00 39.64 39.07 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 5.76 1.08 -4.46 4.38 0.02 -1.37 -3.47 113.55 115.49 2dmk h SER 46 Ca -0.46 -0.21 0.13 0.00 -0.84 0.00 0.00 61.79 60.42 2dmk h SER 46 Cb 1.35 -0.28 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 2dmk h SER 46 CO 0.94 1.01 0.57 -0.94 -1.14 0.00 0.00 176.83 177.27 2dmk s SER 47 N -6.41 -0.32 0.04 3.07 1.04 -1.14 -5.06 113.70 104.92 2dmk s SER 47 Ca -0.12 0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dmk s SER 47 Cb 0.15 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2dmk s SER 47 CO 0.84 -0.49 0.18 -0.31 0.98 0.00 0.00 173.24 174.44 2dmk s TYR 48 N -2.61 3.47 -0.06 5.02 2.02 -1.04 -2.56 117.35 121.59 2dmk s TYR 48 Ca 0.05 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 57.04 2dmk s TYR 48 Cb -0.01 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 2dmk s TYR 48 CO -0.06 0.60 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.33 2dmk s GLU 49 N -2.28 2.13 -0.12 -0.62 2.56 -0.80 -3.29 118.70 116.28 2dmk s GLU 49 Ca 0.31 -0.66 -0.03 0.00 0.00 0.00 0.00 54.97 54.59 2dmk s GLU 49 Cb -0.13 -1.76 -0.03 0.00 2.00 0.00 0.00 34.13 34.21 2dmk s GLU 49 CO 0.24 0.20 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.96 2dmk s LEU 50 N 0.21 3.46 -0.11 2.70 2.96 -1.25 -1.21 118.68 125.45 2dmk s LEU 50 Ca -0.09 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2dmk s LEU 50 Cb -0.14 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2dmk s LEU 50 CO 0.04 0.28 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.17 2dmk s GLN 51 N -0.31 1.59 0.04 1.98 -0.21 -1.04 -2.34 119.66 119.37 2dmk s GLN 51 Ca 0.06 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.18 2dmk s GLN 51 Cb -0.12 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 2dmk s GLN 51 CO 0.02 -0.23 -0.10 1.52 -2.12 0.00 0.00 175.29 174.38 2dmk s TYR 52 N 1.58 0.85 0.03 0.91 1.13 -1.01 -1.09 117.35 119.74 2dmk s TYR 52 Ca 0.03 -0.37 -0.22 0.00 -1.41 0.00 0.00 57.07 55.09 2dmk s TYR 52 Cb -0.13 -0.51 0.05 0.00 -1.10 0.00 0.00 41.96 40.27 2dmk s TYR 52 CO -0.07 -0.02 0.50 -0.08 -2.51 0.00 0.00 175.55 173.37 2dmk s THR 53 N -0.97 0.03 -0.21 -3.49 -1.32 -1.07 -1.42 115.64 107.18 2dmk s THR 53 Ca -0.03 -0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 59.89 2dmk s THR 53 Cb -0.08 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 2dmk s THR 53 CO 0.01 -0.15 1.11 -0.63 -2.21 0.00 0.00 174.62 172.75 2dmk s ILE 54 N -2.15 4.55 -0.31 5.08 1.01 -1.26 -2.40 121.20 125.73 2dmk s ILE 54 Ca -0.07 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.25 2dmk s ILE 54 Cb -0.01 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2dmk s ILE 54 CO 0.01 -0.17 0.62 0.12 0.00 0.00 0.00 174.94 175.51 2dmk s PHE 55 N 3.30 3.21 0.38 3.97 2.19 -1.14 -4.99 117.98 124.90 2dmk s PHE 55 Ca 0.47 0.55 0.06 0.00 0.33 0.00 0.00 56.93 58.34 2dmk s PHE 55 Cb -0.17 -2.98 -0.07 0.00 -1.31 0.00 0.00 43.02 38.49 2dmk s PHE 55 CO 0.09 -0.47 0.03 0.95 1.83 0.00 0.00 175.22 177.64 2dmk s THR 56 N 2.58 1.67 -0.98 0.12 -4.23 -1.26 -4.52 115.64 109.02 2dmk s THR 56 Ca 0.24 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 2dmk s THR 56 Cb -0.15 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 2dmk s THR 56 CO 0.12 0.00 1.80 -0.83 -0.54 0.00 0.00 174.62 175.17 2dmk s GLY 57 N -3.63 0.54 0.26 3.99 0.00 -1.26 -4.95 107.32 102.27 2dmk s GLY 57 Ca 0.35 -1.84 0.08 0.00 0.00 0.00 0.00 44.72 43.31 2dmk s GLY 57 CO 0.17 3.24 0.15 1.62 0.00 0.00 0.00 173.10 178.28 2dmk s GLN 58 N 6.28 2.74 0.23 2.90 0.74 -1.26 -5.02 119.66 126.27 2dmk s GLN 58 Ca 0.63 -1.17 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 2dmk s GLN 58 Cb -0.04 -2.45 0.25 0.00 1.10 0.00 0.00 33.01 31.87 2dmk s GLN 58 CO -0.02 0.37 1.57 0.00 -0.55 0.00 0.00 175.29 176.66 2dmk h ALA 59 N 1.58 0.20 -2.98 1.58 0.00 -2.03 -3.41 119.26 114.20 2dmk h ALA 59 Ca -0.47 0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2dmk h ALA 59 Cb 1.24 0.89 -0.24 0.00 0.00 0.00 0.00 17.79 19.68 2dmk h ALA 59 CO 0.61 -0.59 -0.42 -0.80 0.00 0.00 0.00 179.25 178.05 2dmk s ASN 60 N -5.29 -0.19 0.27 0.00 0.01 -1.26 -5.04 114.94 103.44 2dmk s ASN 60 Ca -0.14 0.31 -0.02 0.00 -0.71 0.00 0.00 52.86 52.29 2dmk s ASN 60 Cb 0.20 0.42 0.36 0.00 0.41 0.00 0.00 41.25 42.65 2dmk s ASN 60 CO 0.72 -0.19 1.83 0.15 -1.51 0.00 0.00 177.10 178.10 2dmk h PHE 61 N 5.21 0.94 -0.76 2.20 3.57 -1.97 -2.72 116.94 123.41 2dmk h PHE 61 Ca -0.27 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2dmk h PHE 61 Cb 1.19 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2dmk h PHE 61 CO 0.46 0.75 0.44 0.82 -2.23 0.00 0.00 178.31 178.55 2dmk h ILE 62 N 0.89 1.22 -1.03 1.41 1.08 -1.98 -1.24 117.51 117.87 2dmk h ILE 62 Ca 0.20 -0.52 0.26 0.00 -0.39 0.00 0.00 64.86 64.42 2dmk h ILE 62 Cb 0.24 0.18 -0.10 0.00 -3.07 0.00 0.00 36.82 34.06 2dmk h ILE 62 CO -0.01 0.24 0.64 0.28 -0.69 0.00 0.00 178.15 178.61 2dmk h SER 63 N 1.05 0.53 0.00 1.72 0.02 -1.90 0.31 113.55 115.28 2dmk h SER 63 Ca 0.27 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2dmk h SER 63 Cb -0.01 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dmk h SER 63 CO -0.05 0.10 -0.20 0.25 -1.14 0.00 0.00 176.83 175.79 2dmk h LEU 64 N 0.47 0.00 -1.51 5.07 5.85 -1.49 -3.29 115.31 120.41 2dmk h LEU 64 Ca 0.61 -0.06 0.35 0.00 0.84 0.00 0.00 57.88 59.62 2dmk h LEU 64 Cb 1.40 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.33 2dmk h LEU 64 CO -0.36 0.63 0.79 0.22 -0.34 0.00 0.00 178.44 179.39 2dmk h TYR 65 N -1.00 0.47 -0.52 1.25 3.20 -0.93 0.47 116.97 119.91 2dmk h TYR 65 Ca -0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2dmk h TYR 65 Cb 0.25 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2dmk h TYR 65 CO -0.05 -0.04 0.19 -0.97 -1.64 0.00 0.00 178.16 175.64 2dmk h ASN 66 N 0.20 0.75 -2.92 -2.11 -0.73 -0.52 -3.31 115.58 106.94 2dmk h ASN 66 Ca 0.68 -0.19 -0.78 0.00 1.87 0.00 0.00 56.30 57.88 2dmk h ASN 66 Cb 2.10 -0.19 -0.24 0.00 0.27 0.00 0.00 38.32 40.25 2dmk h ASN 66 CO -0.28 0.73 0.87 -1.20 -0.37 0.00 0.00 177.43 177.19 2dmk n SER 67 N -4.50 5.54 -2.35 1.15 7.64 0.16 -4.90 113.62 116.37 2dmk n SER 67 Ca 0.02 -3.08 -0.14 0.00 1.01 0.00 0.00 58.87 56.68 2dmk n SER 67 Cb 0.18 -1.42 -0.11 0.00 -1.01 0.00 0.00 64.21 61.84 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 3.06 2.59 -0.05 0.44 0.24 -1.25 -4.08 118.33 119.28 2dmk n VAL 68 Ca 0.29 -1.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.11 2dmk n VAL 68 Cb 0.39 -2.00 -0.14 0.00 -1.47 0.00 0.00 33.84 30.61 2dmk n VAL 68 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2dmk n ASP 69 N 2.88 0.87 0.04 -1.34 5.75 -1.26 -4.42 116.55 119.06 2dmk n ASP 69 Ca 0.40 0.23 -0.22 0.00 -0.01 0.00 0.00 54.79 55.19 2dmk n ASP 69 Cb 0.61 0.12 -0.14 0.00 -1.03 0.00 0.00 41.12 40.67 2dmk n ASP 69 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dmk h SER 70 N 0.01 0.51 -0.83 -1.12 0.02 -1.96 -3.47 113.55 106.70 2dmk h SER 70 Ca -0.40 -0.95 -0.65 0.00 -0.84 0.00 0.00 61.79 58.95 2dmk h SER 70 Cb 2.08 -0.17 0.04 0.00 0.14 0.00 0.00 62.40 64.50 2dmk h SER 70 CO 0.05 1.83 0.02 0.79 -1.14 0.00 0.00 176.83 178.38 2dmk n TRP 71 N -3.53 0.47 -3.35 3.45 7.02 -1.26 -4.90 117.44 115.33 2dmk n TRP 71 Ca -0.29 0.87 -0.33 0.00 -1.02 0.00 0.00 57.50 56.74 2dmk n TRP 71 Cb 1.06 -1.72 -0.06 0.00 -2.42 0.00 0.00 31.31 28.17 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 -0.05 3.88 0.01 -0.99 -1.94 -0.51 -4.95 119.30 114.75 2dmk s MET 72 Ca 0.74 0.39 0.03 0.00 -1.71 0.00 0.00 55.69 55.14 2dmk s MET 72 Cb -1.03 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 33.12 2dmk s MET 72 CO 0.47 0.33 -0.09 0.42 -0.01 0.00 0.00 175.02 176.14 2dmk s ILE 73 N -1.76 0.67 -0.38 2.53 1.09 -1.26 -2.42 121.20 119.68 2dmk s ILE 73 Ca 0.46 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 2dmk s ILE 73 Cb -0.12 -0.61 0.13 0.00 -1.06 0.00 0.00 42.46 40.81 2dmk s ILE 73 CO 0.20 0.05 0.21 -0.69 -0.10 0.00 0.00 174.94 174.61 2dmk s VAL 74 N -0.49 0.76 0.88 2.92 1.01 -0.99 -5.00 120.40 119.49 2dmk s VAL 74 Ca 0.01 -1.99 -0.15 0.00 0.00 0.00 0.00 61.98 59.84 2dmk s VAL 74 Cb -0.05 -1.54 0.22 0.00 0.00 0.00 0.00 36.38 35.01 2dmk s VAL 74 CO 0.00 -0.90 0.79 -0.81 0.00 0.00 0.00 175.10 174.18 2dmk n PRO 75 N 3.98 -2.55 -3.28 2.72 -0.04 -1.26 -3.75 135.00 130.81 2dmk n PRO 75 Ca 0.08 -1.26 -0.15 0.00 -0.04 0.00 0.00 63.50 62.13 2dmk n PRO 75 Cb 0.37 -1.18 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 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 -4.35 -2.06 -4.19 3.54 3.02 -1.26 -4.98 115.26 104.98 2dmk n ASN 76 Ca 0.11 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 2dmk n ASN 76 Cb 0.42 -4.64 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 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 -3.32 3.85 -0.51 2.41 1.01 -1.21 -4.94 121.20 118.49 2dmk s ILE 77 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 58.90 2dmk s ILE 77 Cb -0.00 -3.52 0.43 0.00 0.01 0.00 0.00 42.46 39.39 2dmk s ILE 77 CO 0.65 -0.66 1.54 0.29 0.00 0.00 0.00 174.94 176.76 2dmk n LYS 78 N 4.79 3.19 -4.17 2.79 4.76 -1.26 -2.48 118.16 125.78 2dmk n LYS 78 Ca -0.07 -3.89 -0.12 0.00 -2.87 0.00 0.00 58.31 51.36 2dmk n LYS 78 Cb 0.41 -2.28 -0.09 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 -3.72 1.25 -0.10 1.97 -2.07 -1.26 -5.04 119.66 110.68 2dmk s GLN 79 Ca 0.54 -1.58 0.17 0.00 -1.82 0.00 0.00 55.36 52.68 2dmk s GLN 79 Cb 0.44 0.30 0.67 0.00 -1.09 0.00 0.00 33.01 33.33 2dmk s GLN 79 CO -0.09 -0.43 1.56 0.09 -1.32 0.00 0.00 175.29 175.11 2dmk n ASN 80 N -0.29 4.43 -3.49 12.60 4.13 -1.26 -4.85 115.26 126.53 2dmk n ASN 80 Ca 0.01 -2.41 0.00 0.00 1.68 0.00 0.00 54.58 53.87 2dmk n ASN 80 Cb 0.65 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.82 -0.61 -0.16 3.10 -3.43 -1.26 -2.65 115.29 108.46 2dmk s HIS 81 Ca 0.47 1.11 0.01 0.00 -0.80 0.00 0.00 55.06 55.85 2dmk s HIS 81 Cb 0.30 0.36 0.02 0.00 -1.43 0.00 0.00 32.58 31.84 2dmk s HIS 81 CO 0.23 -0.30 -0.18 -0.47 -2.00 0.00 0.00 174.74 172.02 2dmk s TYR 82 N 2.02 2.54 -0.45 0.38 6.14 -1.20 -4.97 117.35 121.81 2dmk s TYR 82 Ca -0.05 -1.46 -0.27 0.00 0.64 0.00 0.00 57.07 55.93 2dmk s TYR 82 Cb -0.05 -1.79 0.03 0.00 0.42 0.00 0.00 41.96 40.57 2dmk s TYR 82 CO -0.16 -0.74 0.99 0.99 0.64 0.00 0.00 175.55 177.26 2dmk s THR 83 N 1.32 4.42 -0.11 4.34 2.01 -1.26 -3.58 115.64 122.78 2dmk s THR 83 Ca 0.04 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 62.74 2dmk s THR 83 Cb -0.13 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 2dmk s THR 83 CO -0.11 -0.82 0.93 -0.69 -0.69 0.00 0.00 174.62 173.23 2dmk s VAL 84 N 3.89 4.84 -0.01 3.82 1.01 0.25 -4.91 120.40 129.30 2dmk s VAL 84 Ca 0.40 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.29 2dmk s VAL 84 Cb -0.10 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2dmk s VAL 84 CO 0.26 0.05 -0.10 -1.00 0.00 0.00 0.00 175.10 174.31 2dmk s HIS 85 N 1.87 2.81 0.00 5.22 3.76 -1.26 -2.38 115.29 125.30 2dmk s HIS 85 Ca 0.45 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 2dmk s HIS 85 Cb -0.18 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2dmk s HIS 85 CO 0.17 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.79 2dmk n GLY 86 N 1.74 0.87 3.95 -2.22 0.00 -1.10 -5.05 105.19 103.37 2dmk n GLY 86 Ca -0.16 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 2.70 -0.10 0.99 1.43 -0.80 -5.06 118.68 117.83 2dmk s LEU 87 Ca 0.00 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.85 2dmk s LEU 87 Cb 0.00 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2dmk s LEU 87 CO 0.00 -1.25 0.05 -1.10 0.23 0.00 0.00 176.35 174.28 2dmk s GLN 88 N -4.42 3.19 0.39 1.70 -1.52 -1.26 -4.60 119.66 113.14 2dmk s GLN 88 Ca 0.39 -0.32 -0.26 0.00 -1.95 0.00 0.00 55.36 53.22 2dmk s GLN 88 Cb -0.03 -2.94 -0.09 0.00 -0.22 0.00 0.00 33.01 29.73 2dmk s GLN 88 CO 0.25 0.70 1.22 -1.54 -0.25 0.00 0.00 175.29 175.67 2dmk s SER 89 N -0.84 6.52 -1.06 5.90 1.04 -1.18 -3.75 113.70 120.33 2dmk s SER 89 Ca 0.13 2.48 -0.17 0.00 0.48 0.00 0.00 55.95 58.87 2dmk s SER 89 Cb -0.12 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.37 2dmk s SER 89 CO 0.03 -0.69 0.76 0.61 0.98 0.00 0.00 173.24 174.92 2dmk n GLY 90 N 0.70 -1.06 3.26 7.32 0.00 -1.19 -4.97 105.19 109.25 2dmk n GLY 90 Ca 0.03 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.35 0.03 0.34 2.61 2.01 -1.25 -4.96 115.64 111.07 2dmk s THR 91 Ca 0.37 -0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 2dmk s THR 91 Cb -0.14 -0.59 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 2dmk s THR 91 CO 0.86 -0.14 1.15 -0.13 -0.69 0.00 0.00 174.62 175.67 2dmk s ARG 92 N -0.66 4.36 -0.07 4.92 0.52 -1.26 -3.03 118.95 123.72 2dmk s ARG 92 Ca -0.08 1.84 -0.03 0.00 -0.52 0.00 0.00 55.73 56.95 2dmk s ARG 92 Cb -0.04 -2.93 0.04 0.00 0.52 0.00 0.00 34.95 32.54 2dmk s ARG 92 CO 0.03 -0.06 0.14 0.71 0.02 0.00 0.00 175.30 176.14 2dmk s TYR 93 N -1.30 -0.15 -0.16 -0.53 1.51 0.11 -2.90 117.35 113.94 2dmk s TYR 93 Ca 0.51 0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 56.98 2dmk s TYR 93 Cb -0.32 -0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 2dmk s TYR 93 CO 0.40 -0.22 0.17 0.42 -1.11 0.00 0.00 175.55 175.22 2dmk s ILE 94 N 1.82 5.41 0.02 2.71 1.01 -1.01 -1.24 121.20 129.92 2dmk s ILE 94 Ca -0.02 0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.99 2dmk s ILE 94 Cb -0.12 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2dmk s ILE 94 CO -0.05 0.50 -0.25 -0.36 0.00 0.00 0.00 174.94 174.77 2dmk s PHE 95 N -0.15 2.22 -0.20 3.97 0.40 -0.81 -2.61 117.98 120.81 2dmk s PHE 95 Ca 0.12 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 2dmk s PHE 95 Cb -0.12 -1.37 0.09 0.00 0.51 0.00 0.00 43.02 42.14 2dmk s PHE 95 CO 0.02 0.06 0.23 0.42 0.70 0.00 0.00 175.22 176.65 2dmk s ILE 96 N -0.73 -0.34 -0.11 0.64 1.01 -0.25 -0.75 121.20 120.67 2dmk s ILE 96 Ca 0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 2dmk s ILE 96 Cb -0.10 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2dmk s ILE 96 CO 0.01 -0.17 0.81 -0.69 0.00 0.00 0.00 174.94 174.90 2dmk s VAL 97 N 2.34 4.93 -0.24 2.92 1.01 -1.26 -2.51 120.40 127.59 2dmk s VAL 97 Ca 0.07 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.70 2dmk s VAL 97 Cb -0.15 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2dmk s VAL 97 CO -0.12 0.12 -0.11 -0.75 0.00 0.00 0.00 175.10 174.24 2dmk s LYS 98 N 1.55 2.50 -0.01 2.72 2.20 -0.35 -2.06 119.74 126.29 2dmk s LYS 98 Ca 0.40 -1.18 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 2dmk s LYS 98 Cb -0.18 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 2dmk s LYS 98 CO 0.17 -0.47 0.84 0.00 -0.36 0.00 0.00 175.35 175.52 2dmk s ALA 99 N 1.19 3.27 -0.03 3.13 0.00 -1.14 -1.91 121.76 126.27 2dmk s ALA 99 Ca -0.04 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.34 2dmk s ALA 99 Cb -0.18 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2dmk s ALA 99 CO -0.06 -0.11 -0.25 0.42 0.00 0.00 0.00 175.76 175.75 2dmk s ILE 100 N 0.65 2.00 0.26 0.00 1.09 -1.06 -1.68 121.20 122.46 2dmk s ILE 100 Ca 0.44 -1.07 -0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2dmk s ILE 100 Cb -0.20 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 2dmk s ILE 100 CO 0.24 0.56 0.25 0.54 -0.10 0.00 0.00 174.94 176.43 2dmk s ASN 101 N -0.49 0.62 0.51 3.58 4.22 0.43 -0.93 114.94 122.87 2dmk s ASN 101 Ca 0.07 -1.44 0.33 0.00 -2.14 0.00 0.00 52.86 49.67 2dmk s ASN 101 Cb -0.11 0.49 1.45 0.00 1.28 0.00 0.00 41.25 44.36 2dmk s ASN 101 CO 0.00 -0.99 1.79 -0.61 -2.04 0.00 0.00 177.10 175.25 2dmk h GLN 102 N 2.39 0.09 0.00 3.55 4.15 -1.94 -2.82 115.11 120.52 2dmk h GLN 102 Ca -0.31 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.11 2dmk h GLN 102 Cb 1.24 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2dmk h GLN 102 CO 0.45 0.06 0.00 0.00 -1.93 0.00 0.00 178.83 177.40 2dmk n ALA 103 N -2.70 -0.08 -2.17 3.38 0.00 -1.26 -5.08 120.51 112.60 2dmk n ALA 103 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2dmk n ALA 103 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.63 2dmk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmk n GLY 104 N 1.45 3.66 3.33 0.00 0.00 -1.07 -4.99 105.19 107.57 2dmk n GLY 104 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2dmk n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmk s SER 105 N 1.83 -0.30 -0.13 1.61 0.15 -1.26 -0.42 113.70 115.18 2dmk s SER 105 Ca 0.00 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 2dmk s SER 105 Cb 0.00 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 2dmk s SER 105 CO 0.00 -0.74 0.08 -0.60 1.20 0.00 0.00 173.24 173.18 2dmk s ARG 106 N -2.93 0.02 0.12 5.44 6.06 -0.67 -4.75 118.95 122.23 2dmk s ARG 106 Ca -0.02 0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 2dmk s ARG 106 Cb 0.00 -1.39 -0.06 0.00 0.06 0.00 0.00 34.95 33.56 2dmk s ARG 106 CO -0.06 -0.56 0.95 0.54 -2.50 0.00 0.00 175.30 173.68 2dmk s ASN 107 N 2.15 7.50 0.84 -2.12 4.22 -1.26 -2.88 114.94 123.38 2dmk s ASN 107 Ca 0.03 1.79 -0.07 0.00 -2.14 0.00 0.00 52.86 52.47 2dmk s ASN 107 Cb -0.15 -2.58 0.17 0.00 1.28 0.00 0.00 41.25 39.97 2dmk s ASN 107 CO -0.07 -0.04 1.15 -0.55 -2.04 0.00 0.00 177.10 175.54 2dmk s SER 108 N -0.11 3.72 0.50 3.54 0.15 -0.88 -4.97 113.70 115.65 2dmk s SER 108 Ca 0.46 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.73 2dmk s SER 108 Cb -0.23 0.00 -0.08 0.00 -1.71 0.00 0.00 66.02 64.00 2dmk s SER 108 CO 0.30 -2.30 1.05 -1.61 1.20 0.00 0.00 173.24 171.87 2dmk s GLU 109 N -5.48 3.72 -0.06 5.44 2.02 -1.26 -4.78 118.70 118.30 2dmk s GLU 109 Ca 0.71 1.37 -0.30 0.00 0.02 0.00 0.00 54.97 56.76 2dmk s GLU 109 Cb -0.04 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 2dmk s GLU 109 CO 0.48 -0.50 1.50 -1.25 0.02 0.00 0.00 175.26 175.51 2dmk s PRO 110 N -3.32 4.22 -0.43 0.39 0.04 -1.26 -4.69 135.00 129.95 2dmk s PRO 110 Ca 0.67 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.58 2dmk s PRO 110 Cb -0.17 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.60 2dmk s PRO 110 CO 0.22 -0.74 0.33 0.99 0.04 0.00 0.00 177.00 177.84 2dmk s THR 111 N 3.44 5.22 0.06 1.26 2.01 0.07 -4.92 115.64 122.78 2dmk s THR 111 Ca 0.66 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 2dmk s THR 111 Cb -0.30 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 2dmk s THR 111 CO 0.25 -0.40 1.20 -0.13 -0.69 0.00 0.00 174.62 174.85 2dmk s ARG 112 N 1.66 4.43 -0.02 4.92 1.81 -1.26 -1.92 118.95 128.57 2dmk s ARG 112 Ca 0.05 1.77 -0.02 0.00 -1.72 0.00 0.00 55.73 55.80 2dmk s ARG 112 Cb -0.21 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 30.94 2dmk s ARG 112 CO 0.09 -0.26 0.05 -0.51 -0.68 0.00 0.00 175.30 173.99 2dmk s LEU 113 N 1.10 1.80 -0.06 2.53 1.43 -0.37 -5.01 118.68 120.10 2dmk s LEU 113 Ca 0.59 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 2dmk s LEU 113 Cb -0.29 0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.10 2dmk s LEU 113 CO 0.29 -0.03 -0.21 -0.54 0.23 0.00 0.00 176.35 176.08 2dmk s LYS 114 N -0.03 2.63 0.72 1.70 1.02 -1.26 0.05 119.74 124.57 2dmk s LYS 114 Ca -0.01 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2dmk s LYS 114 Cb -0.01 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2dmk s LYS 114 CO 0.00 0.41 1.10 0.95 -0.92 0.00 0.00 175.35 176.89 2dmk s THR 115 N -0.23 3.03 0.20 2.17 -4.23 -1.17 -4.69 115.64 110.72 2dmk s THR 115 Ca -0.01 0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.47 2dmk s THR 115 Cb -0.13 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.31 2dmk s THR 115 CO 0.03 -0.41 0.92 0.20 -0.54 0.00 0.00 174.62 174.83 2dmk s ASN 116 N -4.42 7.58 0.01 3.99 0.01 -1.25 -4.22 114.94 116.64 2dmk s ASN 116 Ca 0.59 1.87 -0.02 0.00 -0.71 0.00 0.00 52.86 54.59 2dmk s ASN 116 Cb -0.11 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.96 2dmk s ASN 116 CO 0.50 0.12 0.69 -1.20 -1.51 0.00 0.00 177.10 175.70 2dmk n SER 117 N 1.79 -0.07 -4.20 -1.22 7.64 -1.26 -3.20 113.62 113.11 2dmk n SER 117 Ca -0.02 0.71 -0.12 0.00 1.01 0.00 0.00 58.87 60.45 2dmk n SER 117 Cb 0.48 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dmk s GLN 118 N -3.23 0.97 0.00 1.43 1.11 -1.26 -3.55 119.66 115.13 2dmk s GLN 118 Ca -0.01 -1.44 0.00 0.00 0.01 0.00 0.00 55.36 53.92 2dmk s GLN 118 Cb 0.01 -0.17 0.00 0.00 -1.01 0.00 0.00 33.01 31.83 2dmk s GLN 118 CO 0.04 -0.10 0.00 -0.35 0.01 0.00 0.00 175.29 174.89 2dmk n PRO 119 N -0.14 0.01 -1.91 2.91 -0.04 -1.26 -4.75 135.00 129.81 2dmk n PRO 119 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 2dmk n PRO 119 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 2dmk n PRO 119 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2dmk s PHE 120 N -0.49 2.88 0.04 0.54 -0.71 -1.26 -4.94 117.98 114.03 2dmk s PHE 120 Ca 0.00 0.98 -0.30 0.00 -1.04 0.00 0.00 56.93 56.56 2dmk s PHE 120 Cb 0.00 -3.92 -0.06 0.00 -1.21 0.00 0.00 43.02 37.83 2dmk s PHE 120 CO 0.00 -2.98 1.31 -1.59 -1.34 0.00 0.00 175.22 170.62 2dmk s LYS 121 N -0.71 4.35 -0.05 1.99 -2.85 -1.26 -4.96 119.74 116.25 2dmk s LYS 121 Ca 0.59 1.89 -0.05 0.00 -1.00 0.00 0.00 55.97 57.40 2dmk s LYS 121 Cb -0.44 -3.43 -0.03 0.00 -2.06 0.00 0.00 37.83 31.87 2dmk s LYS 121 CO 0.48 -0.43 0.28 1.03 0.10 0.00 0.00 175.35 176.81 2dmk h SER 122 N 7.24 -0.16 -4.25 0.03 0.87 -2.04 -3.51 113.55 111.73 2dmk h SER 122 Ca -0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2dmk h SER 122 Cb 1.19 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dmk h SER 122 CO 0.86 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.94 2dmk n GLY 123 N 1.18 0.95 3.73 5.77 0.00 -1.26 -5.11 105.19 110.45 2dmk n GLY 123 Ca -0.02 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 2dmk n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmk s PRO 124 N -1.12 1.48 -0.67 1.61 0.04 -1.26 -4.91 135.00 130.17 2dmk s PRO 124 Ca 0.00 0.89 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 2dmk s PRO 124 Cb 0.00 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dmk s PRO 124 CO 0.00 -2.11 1.81 0.45 0.04 0.00 0.00 177.00 177.19 2dmk s SER 125 N -3.42 5.36 -0.49 6.66 0.15 -1.26 -4.91 113.70 115.78 2dmk s SER 125 Ca 0.63 0.09 -0.27 0.00 0.70 0.00 0.00 55.95 57.11 2dmk s SER 125 Cb -0.18 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2dmk s SER 125 CO 0.57 -2.36 2.13 -0.44 1.20 0.00 0.00 173.24 174.33 2dmk s SER 126 N 7.62 4.99 0.00 5.45 0.01 -1.26 -5.35 113.70 125.15 2dmk s SER 126 Ca 0.64 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2dmk s SER 126 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dmk s SER 126 CO 0.17 -2.49 0.00 0.61 0.41 0.00 0.00 173.24 171.94