#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk h SER 2 N 0.00 0.18 -7.18 1.61 0.02 -2.10 -3.47 113.55 102.60 2dmk h SER 2 Ca 0.00 -0.87 -0.63 0.00 -0.84 0.00 0.00 61.79 59.46 2dmk h SER 2 Cb 0.00 -0.06 -0.35 0.00 0.14 0.00 0.00 62.40 62.13 2dmk h SER 2 CO 0.00 1.30 -0.92 -1.54 -1.14 0.00 0.00 176.83 174.53 2dmk n SER 3 N -4.33 -1.22 0.00 3.07 3.41 -1.26 -4.49 113.62 108.80 2dmk n SER 3 Ca -0.18 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 2dmk n SER 3 Cb 0.68 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2dmk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmk n GLY 4 N -1.39 -0.05 2.34 5.00 0.00 -1.26 -5.08 105.19 104.76 2dmk n GLY 4 Ca 0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmk n SER 5 N 0.00 3.91 -4.55 1.61 3.41 -1.26 -5.05 113.62 111.69 2dmk n SER 5 Ca 0.00 -3.32 -0.32 0.00 -0.26 0.00 0.00 58.87 54.97 2dmk n SER 5 Cb 0.00 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.43 2dmk n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmk s SER 6 N -3.58 4.37 -0.39 4.04 0.01 -1.26 -5.07 113.70 111.83 2dmk s SER 6 Ca 0.43 -0.22 0.09 0.00 1.31 0.00 0.00 55.95 57.57 2dmk s SER 6 Cb 0.40 -0.94 0.29 0.00 0.21 0.00 0.00 66.02 65.97 2dmk s SER 6 CO -0.03 0.28 0.60 0.61 0.41 0.00 0.00 173.24 175.11 2dmk n GLY 7 N 1.63 3.17 3.11 3.44 0.00 -1.26 -5.13 105.19 110.15 2dmk n GLY 7 Ca -0.16 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 2dmk n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dmk n GLU 8 N 0.98 -1.05 -3.29 1.61 0.28 -1.26 -4.90 120.64 113.02 2dmk n GLU 8 Ca 0.23 -0.30 -0.39 0.00 -0.16 0.00 0.00 57.16 56.54 2dmk n GLU 8 Cb 0.58 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 32.01 2dmk n GLU 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dmk s GLY 9 N -1.51 2.16 -0.13 -1.84 0.00 -1.26 -4.95 107.32 99.80 2dmk s GLY 9 Ca 0.43 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.70 2dmk s GLY 9 CO 0.57 0.95 -0.21 1.04 0.00 0.00 0.00 173.10 175.46 2dmk n LEU 10 N 4.43 1.25 -2.05 0.66 7.99 -1.26 -5.00 117.00 123.03 2dmk n LEU 10 Ca -0.06 0.21 -0.20 0.00 -0.01 0.00 0.00 56.01 55.95 2dmk n LEU 10 Cb 0.51 -0.50 -0.04 0.00 -0.11 0.00 0.00 43.42 43.28 2dmk n LEU 10 CO 0.42 0.12 -0.23 0.47 -1.51 0.00 0.00 177.39 176.66 2dmk n ASP 11 N -3.81 -5.48 -4.78 -1.43 8.00 -1.26 -4.95 116.55 102.84 2dmk n ASP 11 Ca -0.25 0.22 -0.37 0.00 0.71 0.00 0.00 54.79 55.09 2dmk n ASP 11 Cb 0.61 -4.69 -0.06 0.00 -0.02 0.00 0.00 41.12 36.96 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 -2.86 3.57 0.00 1.24 -0.85 -1.26 -4.94 117.35 112.25 2dmk s TYR 12 Ca 0.00 0.76 0.00 0.00 -0.52 0.00 0.00 57.07 57.31 2dmk s TYR 12 Cb 0.00 -2.31 0.00 0.00 0.38 0.00 0.00 41.96 40.03 2dmk s TYR 12 CO 0.00 0.42 0.08 -0.11 -1.52 0.00 0.00 175.55 174.41 2dmk n LEU 13 N 2.83 0.15 -0.54 -3.49 7.94 -1.26 -4.77 117.00 117.87 2dmk n LEU 13 Ca -0.13 -0.42 0.41 0.00 -1.11 0.00 0.00 56.01 54.75 2dmk n LEU 13 Cb 0.52 0.00 0.63 0.00 0.53 0.00 0.00 43.42 45.10 2dmk n LEU 13 CO 0.38 0.04 1.14 1.07 -1.11 0.00 0.00 177.39 178.91 2dmk n THR 14 N -0.54 -0.02 -3.81 1.96 5.66 -1.26 -4.29 114.28 111.96 2dmk n THR 14 Ca 0.00 1.20 -0.12 0.00 -3.05 0.00 0.00 64.05 62.08 2dmk n THR 14 Cb 0.02 -1.99 -0.09 0.00 -1.55 0.00 0.00 70.33 66.72 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 -4.50 -0.55 0.04 1.79 0.00 -1.26 -4.34 121.76 112.94 2dmk s ALA 15 Ca -0.04 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 2dmk s ALA 15 Cb 0.21 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 2dmk s ALA 15 CO 0.69 -0.27 1.41 -1.25 0.00 0.00 0.00 175.76 176.34 2dmk s PRO 16 N -1.66 4.29 0.17 0.00 0.04 -1.26 -4.95 135.00 131.64 2dmk s PRO 16 Ca -0.12 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 62.61 2dmk s PRO 16 Cb -0.05 -3.47 -0.15 0.00 0.04 0.00 0.00 34.50 30.87 2dmk s PRO 16 CO 0.01 -0.54 1.37 0.27 0.04 0.00 0.00 177.00 178.16 2dmk n ASN 17 N 4.93 2.26 -4.69 6.66 0.23 -1.26 -4.37 115.26 119.01 2dmk n ASN 17 Ca 0.13 1.12 -0.42 0.00 -0.53 0.00 0.00 54.58 54.88 2dmk n ASN 17 Cb 0.43 -1.33 -0.03 0.00 -2.08 0.00 0.00 39.78 36.78 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dmk s PRO 18 N 0.11 4.28 0.91 -0.53 0.04 -1.26 -4.86 135.00 133.68 2dmk s PRO 18 Ca 0.75 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.70 2dmk s PRO 18 Cb -0.77 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 30.40 2dmk s PRO 18 CO 0.47 -0.56 1.09 -1.25 0.04 0.00 0.00 177.00 176.79 2dmk s PRO 19 N 2.15 1.16 -0.24 0.56 0.04 -1.26 -5.01 135.00 132.40 2dmk s PRO 19 Ca 0.65 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.49 2dmk s PRO 19 Cb -0.33 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.47 2dmk s PRO 19 CO 0.28 -2.30 -0.07 -1.12 0.04 0.00 0.00 177.00 173.83 2dmk s SER 20 N -3.43 4.02 -0.13 6.66 0.01 -0.77 -4.78 113.70 115.29 2dmk s SER 20 Ca 0.64 -1.24 -0.29 0.00 1.31 0.00 0.00 55.95 56.36 2dmk s SER 20 Cb -0.18 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 2dmk s SER 20 CO 0.57 -0.22 1.42 -0.63 0.41 0.00 0.00 173.24 174.78 2dmk s ILE 21 N 1.31 4.01 -0.48 1.44 1.01 -1.26 -0.58 121.20 126.65 2dmk s ILE 21 Ca -0.07 1.21 -0.21 0.00 0.00 0.00 0.00 60.65 61.58 2dmk s ILE 21 Cb -0.19 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2dmk s ILE 21 CO -0.06 -0.12 0.70 -0.13 0.00 0.00 0.00 174.94 175.33 2dmk s ARG 22 N 3.75 3.25 0.21 2.79 1.81 0.77 -4.91 118.95 126.62 2dmk s ARG 22 Ca 0.62 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 54.16 2dmk s ARG 22 Cb -0.26 -4.01 0.18 0.00 -0.45 0.00 0.00 34.95 30.41 2dmk s ARG 22 CO 0.21 -1.15 1.53 0.93 -0.68 0.00 0.00 175.30 176.13 2dmk h GLU 23 N 8.99 0.37 -0.16 3.54 3.07 -1.94 -1.01 114.58 127.44 2dmk h GLU 23 Ca -0.26 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.30 2dmk h GLU 23 Cb 1.09 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 2dmk h GLU 23 CO 0.95 0.86 -0.12 1.05 -1.40 0.00 0.00 179.01 180.35 2dmk h GLU 24 N 0.27 0.25 0.00 2.33 4.11 -1.97 -2.62 114.58 116.95 2dmk h GLU 24 Ca -0.01 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 59.20 2dmk h GLU 24 Cb 1.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2dmk h GLU 24 CO 0.10 0.38 -1.34 -0.07 0.07 0.00 0.00 179.01 178.15 2dmk h LEU 25 N 0.23 0.00-10.07 3.06 3.38 -1.90 -3.47 115.31 106.54 2dmk h LEU 25 Ca 0.05 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.52 2dmk h LEU 25 Cb 0.36 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.32 2dmk h LEU 25 CO 0.02 0.60 -0.14 0.00 0.09 0.00 0.00 178.44 179.01 2dmk s THR 27 N -2.50 0.02 -0.04 0.00 -4.23 -0.66 -4.99 115.64 103.23 2dmk s THR 27 Ca 0.64 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.08 2dmk s THR 27 Cb -0.22 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 2dmk s THR 27 CO 0.62 -0.07 -0.19 0.00 -0.54 0.00 0.00 174.62 174.44 2dmk s ALA 28 N -0.18 2.43 0.18 3.99 0.00 -1.26 -1.48 121.76 125.43 2dmk s ALA 28 Ca -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.94 2dmk s ALA 28 Cb -0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 2dmk s ALA 28 CO 0.01 0.52 -0.06 -1.12 0.00 0.00 0.00 175.76 175.11 2dmk s SER 29 N -0.58 1.76 0.03 0.00 0.01 0.47 -4.58 113.70 110.80 2dmk s SER 29 Ca 0.08 -1.10 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 2dmk s SER 29 Cb -0.11 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 2dmk s SER 29 CO 0.00 -0.41 0.81 0.00 0.41 0.00 0.00 173.24 174.05 2dmk n HIS 30 N -0.28 -0.09 -1.81 2.43 1.44 -1.26 -2.45 115.22 113.21 2dmk n HIS 30 Ca -0.08 0.24 0.06 0.00 -2.01 0.00 0.00 57.72 55.93 2dmk n HIS 30 Cb 0.62 -0.41 0.16 0.00 0.12 0.00 0.00 29.99 30.49 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 -3.31 1.54 -3.82 4.39 9.92 -1.26 -3.01 116.55 121.02 2dmk n ASP 31 Ca 0.00 -3.46 -0.12 0.00 -0.53 0.00 0.00 54.79 50.69 2dmk n ASP 31 Cb 0.05 -0.48 -0.09 0.00 -0.64 0.00 0.00 41.12 39.96 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2dmk s THR 32 N -2.47 0.07 -0.14 -3.53 2.01 -1.03 -1.25 115.64 109.30 2dmk s THR 32 Ca 0.37 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 2dmk s THR 32 Cb 0.37 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 72.42 2dmk s THR 32 CO -0.09 -0.31 0.35 -0.63 -0.69 0.00 0.00 174.62 173.25 2dmk s ILE 33 N -1.30 -0.02 -0.21 1.82 1.01 -0.86 0.18 121.20 121.81 2dmk s ILE 33 Ca -0.14 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 2dmk s ILE 33 Cb -0.06 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.90 2dmk s ILE 33 CO 0.03 0.03 -0.11 -0.89 0.00 0.00 0.00 174.94 174.00 2dmk s THR 34 N 0.97 2.74 -0.16 2.92 2.01 -0.55 -0.99 115.64 122.58 2dmk s THR 34 Ca -0.06 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 2dmk s THR 34 Cb -0.07 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2dmk s THR 34 CO -0.07 0.42 0.11 -0.69 -0.69 0.00 0.00 174.62 173.69 2dmk s VAL 35 N 1.37 5.19 -0.20 3.82 1.01 -1.22 -1.65 120.40 128.72 2dmk s VAL 35 Ca 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2dmk s VAL 35 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2dmk s VAL 35 CO -0.07 0.51 -0.05 -1.00 0.00 0.00 0.00 175.10 174.48 2dmk s HIS 36 N -0.14 2.94 -0.09 5.22 3.76 -1.26 -3.21 115.29 122.52 2dmk s HIS 36 Ca 0.09 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 54.21 2dmk s HIS 36 Cb -0.12 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 2dmk s HIS 36 CO 0.01 -0.43 -0.12 1.67 -0.85 0.00 0.00 174.74 175.01 2dmk s TRP 37 N 1.17 2.79 -0.16 1.40 -2.14 -1.00 -0.16 118.94 120.83 2dmk s TRP 37 Ca 0.02 -0.32 -0.05 0.00 2.66 0.00 0.00 56.10 58.41 2dmk s TRP 37 Cb -0.14 -1.74 -0.03 0.00 -3.10 0.00 0.00 33.47 28.46 2dmk s TRP 37 CO -0.01 0.05 0.02 -1.50 -2.66 0.00 0.00 176.95 172.85 2dmk s ILE 38 N -0.29 4.39 0.01 0.66 1.10 0.26 -4.86 121.20 122.47 2dmk s ILE 38 Ca 0.03 -0.18 0.01 0.00 -0.51 0.00 0.00 60.65 59.99 2dmk s ILE 38 Cb -0.13 -2.94 -0.01 0.00 0.15 0.00 0.00 42.46 39.54 2dmk s ILE 38 CO 0.03 0.50 -0.03 -0.44 -2.11 0.00 0.00 174.94 172.89 2dmk s SER 39 N 0.13 0.30 -0.10 4.50 0.01 -1.26 -1.84 113.70 115.44 2dmk s SER 39 Ca 0.02 -0.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 2dmk s SER 39 Cb -0.13 0.02 -0.28 0.00 0.21 0.00 0.00 66.02 65.84 2dmk s SER 39 CO 0.02 -0.09 0.56 -0.78 0.41 0.00 0.00 173.24 173.35 2dmk h ASP 40 N 5.53 0.42 -3.77 2.44 3.58 -1.97 -3.42 116.42 119.24 2dmk h ASP 40 Ca -0.28 -0.87 -0.67 0.00 0.42 0.00 0.00 57.03 55.63 2dmk h ASP 40 Cb 1.21 -0.14 -0.38 0.00 1.72 0.00 0.00 39.33 41.74 2dmk h ASP 40 CO 0.47 1.67 -0.41 -1.81 -2.88 0.00 0.00 179.24 176.28 2dmk s ASP 41 N -7.08 5.12 -0.21 2.28 1.11 -1.26 -4.86 116.67 111.77 2dmk s ASP 41 Ca -0.19 -3.35 0.15 0.00 0.18 0.00 0.00 52.55 49.34 2dmk s ASP 41 Cb 0.05 -1.77 0.55 0.00 1.07 0.00 0.00 42.92 42.82 2dmk s ASP 41 CO 0.78 -0.22 1.46 -1.84 1.18 0.00 0.00 175.17 176.53 2dmk n GLU 42 N 2.75 2.87 -0.01 8.23 0.28 -1.26 -4.52 120.64 128.98 2dmk n GLU 42 Ca 0.13 -2.92 -0.19 0.00 -0.16 0.00 0.00 57.16 54.03 2dmk n GLU 42 Cb 0.36 -1.88 -0.14 0.00 1.43 0.00 0.00 31.44 31.21 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 -0.55 1.14 0.02 -1.84 3.72 -1.26 -4.33 117.46 114.35 2dmk n PHE 43 Ca 0.25 0.27 -0.19 0.00 -0.05 0.00 0.00 57.45 57.72 2dmk n PHE 43 Cb 0.96 -1.16 -0.10 0.00 -0.94 0.00 0.00 39.48 38.24 2dmk n PHE 43 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2dmk h SER 44 N 0.06 0.79 -1.10 4.37 0.02 -2.00 -3.44 113.55 112.24 2dmk h SER 44 Ca -0.41 -0.73 -0.69 0.00 -0.84 0.00 0.00 61.79 59.12 2dmk h SER 44 Cb 2.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 2dmk h SER 44 CO 0.08 1.41 1.30 -0.38 -1.14 0.00 0.00 176.83 178.10 2dmk n ILE 45 N -3.99 0.21 -0.24 3.27 5.41 -1.26 -4.68 119.36 118.07 2dmk n ILE 45 Ca -0.10 -0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.42 2dmk n ILE 45 Cb 0.79 -1.46 0.07 0.00 -0.71 0.00 0.00 39.64 38.34 2dmk n ILE 45 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dmk h SER 46 N 10.95 0.71 -4.79 4.38 0.87 -1.56 -3.46 113.55 120.65 2dmk h SER 46 Ca -0.30 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2dmk h SER 46 Cb 1.33 -0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 2dmk h SER 46 CO 1.01 0.50 0.36 -0.94 -0.53 0.00 0.00 176.83 177.23 2dmk s SER 47 N -5.74 -0.46 0.15 6.23 1.04 -1.12 -5.04 113.70 108.76 2dmk s SER 47 Ca -0.13 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.39 2dmk s SER 47 Cb 0.15 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2dmk s SER 47 CO 0.77 -0.75 0.18 -0.31 0.98 0.00 0.00 173.24 174.10 2dmk s TYR 48 N -3.21 3.26 -0.07 5.02 2.02 -0.99 -1.86 117.35 121.52 2dmk s TYR 48 Ca 0.02 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2dmk s TYR 48 Cb -0.01 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2dmk s TYR 48 CO -0.09 0.52 -0.17 -2.00 -1.57 0.00 0.00 175.55 172.24 2dmk s GLU 49 N -3.09 2.14 -0.01 -0.62 2.12 0.55 -3.37 118.70 116.42 2dmk s GLU 49 Ca 0.32 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 2dmk s GLU 49 Cb -0.11 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 2dmk s GLU 49 CO 0.25 0.13 0.14 -1.17 -0.54 0.00 0.00 175.26 174.07 2dmk s LEU 50 N 0.40 4.18 -0.14 2.70 2.96 -1.23 -0.44 118.68 127.11 2dmk s LEU 50 Ca -0.13 0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2dmk s LEU 50 Cb -0.15 -2.45 0.07 0.00 0.50 0.00 0.00 46.19 44.16 2dmk s LEU 50 CO 0.05 0.27 0.19 -1.10 -1.32 0.00 0.00 176.35 174.44 2dmk s GLN 51 N -1.81 0.10 0.04 1.98 -0.21 -1.02 -2.48 119.66 116.27 2dmk s GLN 51 Ca 0.25 0.40 0.05 0.00 0.02 0.00 0.00 55.36 56.08 2dmk s GLN 51 Cb -0.12 -0.71 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 2dmk s GLN 51 CO 0.16 -0.46 -0.14 1.52 -2.12 0.00 0.00 175.29 174.25 2dmk s TYR 52 N 2.31 1.23 -0.13 0.91 1.13 -1.12 -0.50 117.35 121.18 2dmk s TYR 52 Ca 0.04 -0.36 -0.16 0.00 -1.41 0.00 0.00 57.07 55.18 2dmk s TYR 52 Cb -0.14 -0.72 0.04 0.00 -1.10 0.00 0.00 41.96 40.04 2dmk s TYR 52 CO -0.09 0.04 0.43 -0.08 -2.51 0.00 0.00 175.55 173.34 2dmk s THR 53 N -0.90 0.01 -0.04 -3.49 -1.32 -1.02 -2.60 115.64 106.28 2dmk s THR 53 Ca 0.01 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.10 2dmk s THR 53 Cb -0.08 -0.63 -0.06 0.00 -1.51 0.00 0.00 72.50 70.22 2dmk s THR 53 CO 0.01 -0.05 1.65 -0.63 -2.21 0.00 0.00 174.62 173.39 2dmk s ILE 54 N -0.16 3.53 -0.20 5.08 1.01 -1.26 -2.34 121.20 126.86 2dmk s ILE 54 Ca -0.03 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 2dmk s ILE 54 Cb -0.03 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2dmk s ILE 54 CO 0.02 -0.05 0.24 0.12 0.00 0.00 0.00 174.94 175.26 2dmk s PHE 55 N 3.87 3.38 0.32 3.97 2.19 0.09 -4.96 117.98 126.84 2dmk s PHE 55 Ca 0.73 0.43 0.06 0.00 0.33 0.00 0.00 56.93 58.48 2dmk s PHE 55 Cb -0.34 -2.32 -0.02 0.00 -1.31 0.00 0.00 43.02 39.03 2dmk s PHE 55 CO 0.30 0.14 0.20 0.25 1.83 0.00 0.00 175.22 177.94 2dmk n THR 56 N 3.97 0.00 -2.26 0.12 -2.24 -1.26 -3.87 114.28 108.73 2dmk n THR 56 Ca -0.13 -2.12 -0.33 0.00 -2.27 0.00 0.00 64.05 59.20 2dmk n THR 56 Cb 0.52 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 2dmk n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dmk s GLY 57 N -3.10 0.70 0.29 3.38 0.00 -1.26 -4.93 107.32 102.39 2dmk s GLY 57 Ca 0.29 -2.26 0.08 0.00 0.00 0.00 0.00 44.72 42.83 2dmk s GLY 57 CO 0.20 3.21 0.19 1.62 0.00 0.00 0.00 173.10 178.33 2dmk s GLN 58 N 5.78 2.72 0.33 2.90 0.74 -1.26 -5.00 119.66 125.87 2dmk s GLN 58 Ca 0.62 -1.22 0.07 0.00 0.05 0.00 0.00 55.36 54.88 2dmk s GLN 58 Cb -0.00 -2.44 0.93 0.00 1.10 0.00 0.00 33.01 32.60 2dmk s GLN 58 CO 0.06 0.28 1.57 0.00 -0.55 0.00 0.00 175.29 176.66 2dmk h ALA 59 N 1.49 1.46 -1.50 1.58 0.00 -2.02 -3.44 119.26 116.84 2dmk h ALA 59 Ca -0.46 0.33 0.28 0.00 0.00 0.00 0.00 54.91 55.05 2dmk h ALA 59 Cb 1.25 0.53 -0.16 0.00 0.00 0.00 0.00 17.79 19.41 2dmk h ALA 59 CO 0.60 -0.69 0.81 1.21 0.00 0.00 0.00 179.25 181.18 2dmk s ASN 60 N -4.87 -0.11 0.21 0.00 3.84 -1.26 -5.03 114.94 107.72 2dmk s ASN 60 Ca -0.12 -0.07 -0.10 0.00 0.21 0.00 0.00 52.86 52.78 2dmk s ASN 60 Cb 0.31 0.16 0.18 0.00 -0.55 0.00 0.00 41.25 41.35 2dmk s ASN 60 CO 0.78 -0.28 1.86 0.15 -2.79 0.00 0.00 177.10 176.81 2dmk h PHE 61 N 2.00 0.86 -0.70 0.43 3.57 -1.98 -2.50 116.94 118.63 2dmk h PHE 61 Ca -0.19 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.48 2dmk h PHE 61 Cb 1.18 -0.28 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 2dmk h PHE 61 CO 0.30 0.50 0.16 0.82 -2.23 0.00 0.00 178.31 177.86 2dmk h ILE 62 N 0.90 0.55 -0.30 1.41 1.08 -1.96 0.27 117.51 119.46 2dmk h ILE 62 Ca 0.28 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 2dmk h ILE 62 Cb -0.01 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 33.92 2dmk h ILE 62 CO -0.10 0.05 -0.19 0.28 -0.69 0.00 0.00 178.15 177.50 2dmk h SER 63 N 0.27 -0.64 0.25 1.72 0.02 -1.85 0.24 113.55 113.56 2dmk h SER 63 Ca 0.38 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 2dmk h SER 63 Cb 0.63 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2dmk h SER 63 CO -0.48 -0.23 -0.12 0.25 -1.14 0.00 0.00 176.83 175.11 2dmk h LEU 64 N -0.16 -0.29 -1.69 5.07 5.85 -1.27 -3.17 115.31 119.64 2dmk h LEU 64 Ca 0.16 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.27 2dmk h LEU 64 Cb 0.41 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2dmk h LEU 64 CO -0.40 -0.07 1.12 0.22 -0.34 0.00 0.00 178.44 178.96 2dmk h TYR 65 N -0.61 0.00 -0.28 1.25 3.20 -0.49 0.60 116.97 120.64 2dmk h TYR 65 Ca -0.03 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2dmk h TYR 65 Cb 0.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2dmk h TYR 65 CO 0.05 0.00 0.14 -0.91 -1.64 0.00 0.00 178.16 175.81 2dmk h ASN 66 N 0.00 0.36 -0.53 -2.11 2.35 -0.49 -2.82 115.58 112.34 2dmk h ASN 66 Ca 0.63 -0.11 -0.32 0.00 -0.55 0.00 0.00 56.30 55.95 2dmk h ASN 66 Cb 2.86 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 41.01 2dmk h ASN 66 CO -0.01 0.36 0.23 -1.20 -1.65 0.00 0.00 177.43 175.17 2dmk n SER 67 N -4.81 6.14 0.31 5.81 7.64 0.21 -4.60 113.62 124.32 2dmk n SER 67 Ca -0.02 -2.94 0.10 0.00 1.01 0.00 0.00 58.87 57.02 2dmk n SER 67 Cb 0.09 -1.18 0.54 0.00 -1.01 0.00 0.00 64.21 62.65 2dmk n SER 67 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dmk h VAL 68 N 1.47 0.00 -0.16 0.44 3.04 -1.57 0.10 116.25 119.58 2dmk h VAL 68 Ca 0.27 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 66.01 2dmk h VAL 68 Cb 0.95 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2dmk h VAL 68 CO 0.62 0.00 0.29 -0.78 -1.01 0.00 0.00 177.57 176.69 2dmk h ASP 69 N 0.00 0.00 0.48 3.17 3.58 -1.89 0.88 116.42 122.64 2dmk h ASP 69 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2dmk h ASP 69 Cb 1.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 2dmk h ASP 69 CO 0.00 0.00 -1.62 -1.28 -2.88 0.00 0.00 179.24 173.46 2dmk h SER 70 N 0.00 0.17 -2.04 2.28 0.87 -1.18 -3.47 113.55 110.19 2dmk h SER 70 Ca 0.08 -0.30 -0.62 0.00 -1.23 0.00 0.00 61.79 59.71 2dmk h SER 70 Cb 0.66 -0.06 0.11 0.00 -0.44 0.00 0.00 62.40 62.68 2dmk h SER 70 CO -0.00 1.26 -0.08 0.79 -0.53 0.00 0.00 176.83 178.27 2dmk n TRP 71 N -3.26 0.69 -3.23 2.24 7.02 0.30 -4.94 117.44 116.26 2dmk n TRP 71 Ca -0.17 0.78 -0.35 0.00 -1.02 0.00 0.00 57.50 56.74 2dmk n TRP 71 Cb 1.04 -2.15 -0.06 0.00 -2.42 0.00 0.00 31.31 27.71 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 -1.40 4.07 0.01 -0.99 -1.94 -1.07 -4.98 119.30 113.01 2dmk s MET 72 Ca 0.60 0.65 0.02 0.00 -1.71 0.00 0.00 55.69 55.25 2dmk s MET 72 Cb -0.76 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.26 2dmk s MET 72 CO 0.59 0.38 -0.07 0.42 -0.01 0.00 0.00 175.02 176.33 2dmk s ILE 73 N -1.60 0.50 -0.36 2.53 1.09 -1.26 -2.78 121.20 119.31 2dmk s ILE 73 Ca 0.43 -0.53 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 2dmk s ILE 73 Cb -0.15 -0.47 0.12 0.00 -1.06 0.00 0.00 42.46 40.91 2dmk s ILE 73 CO 0.20 -0.04 0.17 -0.69 -0.10 0.00 0.00 174.94 174.48 2dmk s VAL 74 N -0.55 0.77 0.00 2.92 1.01 -1.04 -4.99 120.40 118.53 2dmk s VAL 74 Ca -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.18 2dmk s VAL 74 Cb -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2dmk s VAL 74 CO 0.00 -0.83 0.00 -0.81 0.00 0.00 0.00 175.10 173.46 2dmk n PRO 75 N 4.27 0.11 -3.94 2.72 -0.04 -1.26 -3.50 135.00 133.36 2dmk n PRO 75 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 2dmk n PRO 75 Cb 0.38 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.83 2dmk n PRO 75 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dmk n ASN 76 N -1.33 -1.64 -4.28 3.54 6.94 -1.26 -4.93 115.26 112.30 2dmk n ASN 76 Ca 0.00 -1.06 -0.39 0.00 -0.02 0.00 0.00 54.58 53.11 2dmk n ASN 76 Cb 0.00 -2.85 -0.11 0.00 -2.36 0.00 0.00 39.78 34.45 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2dmk s ILE 77 N -3.85 4.05 -0.44 1.53 1.01 -1.22 -4.96 121.20 117.32 2dmk s ILE 77 Ca 0.15 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.61 2dmk s ILE 77 Cb -0.06 -3.38 0.44 0.00 0.01 0.00 0.00 42.46 39.47 2dmk s ILE 77 CO 0.90 -0.33 1.41 0.29 0.00 0.00 0.00 174.94 177.21 2dmk n LYS 78 N 4.87 3.32 -4.15 2.79 4.76 -1.26 -2.35 118.16 126.14 2dmk n LYS 78 Ca -0.11 -4.02 -0.10 0.00 -2.87 0.00 0.00 58.31 51.22 2dmk n LYS 78 Cb 0.44 -2.27 -0.10 0.00 -1.84 0.00 0.00 35.03 31.26 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 -3.67 0.94 -0.05 1.97 -2.07 -1.26 -5.04 119.66 110.48 2dmk s GLN 79 Ca 0.53 -1.45 0.13 0.00 -1.82 0.00 0.00 55.36 52.76 2dmk s GLN 79 Cb 0.43 0.24 0.47 0.00 -1.09 0.00 0.00 33.01 33.07 2dmk s GLN 79 CO -0.06 -0.27 1.36 0.09 -1.32 0.00 0.00 175.29 175.09 2dmk n ASN 80 N -0.10 3.12 -3.51 12.60 4.13 -1.26 -4.83 115.26 125.41 2dmk n ASN 80 Ca -0.05 -2.19 0.01 0.00 1.68 0.00 0.00 54.58 54.03 2dmk n ASN 80 Cb 0.64 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 38.40 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 -1.60 -0.41 -0.20 3.10 -3.43 -1.26 -2.39 115.29 109.11 2dmk s HIS 81 Ca 0.34 0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 55.34 2dmk s HIS 81 Cb 0.21 0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 31.59 2dmk s HIS 81 CO 0.19 -0.20 -0.04 -0.47 -2.00 0.00 0.00 174.74 172.21 2dmk s TYR 82 N 1.68 2.96 -0.53 0.38 6.14 -1.20 -4.93 117.35 121.85 2dmk s TYR 82 Ca -0.06 -0.74 -0.22 0.00 0.64 0.00 0.00 57.07 56.69 2dmk s TYR 82 Cb -0.04 -2.06 0.05 0.00 0.42 0.00 0.00 41.96 40.33 2dmk s TYR 82 CO -0.15 -0.39 0.83 0.99 0.64 0.00 0.00 175.55 177.48 2dmk s THR 83 N 1.14 4.55 -0.16 4.34 2.01 -1.26 -3.43 115.64 122.83 2dmk s THR 83 Ca 0.02 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2dmk s THR 83 Cb -0.15 -4.45 -0.01 0.00 0.01 0.00 0.00 72.50 67.90 2dmk s THR 83 CO -0.00 -1.00 0.94 -0.69 -0.69 0.00 0.00 174.62 173.18 2dmk s VAL 84 N 3.50 4.80 0.12 3.82 1.01 -0.16 -4.91 120.40 128.58 2dmk s VAL 84 Ca 0.25 1.87 0.05 0.00 0.00 0.00 0.00 61.98 64.16 2dmk s VAL 84 Cb -0.15 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2dmk s VAL 84 CO 0.17 -0.03 0.02 -1.00 0.00 0.00 0.00 175.10 174.26 2dmk s HIS 85 N 2.36 2.99 0.00 5.22 3.76 -1.26 -2.03 115.29 126.33 2dmk s HIS 85 Ca 0.43 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 2dmk s HIS 85 Cb -0.17 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.02 2dmk s HIS 85 CO 0.13 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 2dmk n GLY 86 N 0.27 1.04 2.23 -2.22 0.00 -0.74 -5.01 105.19 100.76 2dmk n GLY 86 Ca -0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 2dmk n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 87 N -0.11 0.00 -4.58 0.99 4.77 -0.38 -5.04 117.00 112.66 2dmk n LEU 87 Ca 0.00 -1.18 -0.34 0.00 -0.03 0.00 0.00 56.01 54.46 2dmk n LEU 87 Cb 0.28 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 2dmk n LEU 87 CO 0.00 -0.81 -0.36 -1.10 -1.33 0.00 0.00 177.39 173.80 2dmk s GLN 88 N -4.02 3.08 0.52 3.23 -1.52 -1.26 -4.62 119.66 115.08 2dmk s GLN 88 Ca 0.39 -0.51 -0.20 0.00 -1.95 0.00 0.00 55.36 53.08 2dmk s GLN 88 Cb -0.02 -2.73 -0.06 0.00 -0.22 0.00 0.00 33.01 29.97 2dmk s GLN 88 CO 0.26 0.54 1.13 -1.12 -0.25 0.00 0.00 175.29 175.86 2dmk s SER 89 N -0.47 5.86 -1.04 5.90 0.01 -1.16 -3.88 113.70 118.91 2dmk s SER 89 Ca 0.07 2.20 -0.18 0.00 1.31 0.00 0.00 55.95 59.35 2dmk s SER 89 Cb -0.12 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.54 2dmk s SER 89 CO 0.02 -1.13 0.69 0.61 0.41 0.00 0.00 173.24 173.85 2dmk n GLY 90 N 0.22 -1.05 3.40 3.44 0.00 -1.23 -4.98 105.19 104.99 2dmk n GLY 90 Ca 0.10 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.31 0.01 0.23 2.61 2.01 -1.25 -4.97 115.64 110.97 2dmk s THR 91 Ca 0.31 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2dmk s THR 91 Cb -0.14 -0.73 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 2dmk s THR 91 CO 0.90 -0.03 1.21 -0.13 -0.69 0.00 0.00 174.62 175.88 2dmk s ARG 92 N -0.09 4.49 -0.06 4.92 0.52 -1.25 -3.68 118.95 123.80 2dmk s ARG 92 Ca -0.03 1.94 -0.02 0.00 -0.52 0.00 0.00 55.73 57.10 2dmk s ARG 92 Cb -0.03 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.27 2dmk s ARG 92 CO 0.02 -0.06 0.03 0.71 0.02 0.00 0.00 175.30 176.02 2dmk s TYR 93 N -0.43 0.37 -0.10 -0.53 2.02 0.76 -0.74 117.35 118.69 2dmk s TYR 93 Ca 0.51 0.04 -0.16 0.00 -0.37 0.00 0.00 57.07 57.09 2dmk s TYR 93 Cb -0.34 -0.64 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 2dmk s TYR 93 CO 0.40 -0.26 0.40 0.42 -1.57 0.00 0.00 175.55 174.94 2dmk s ILE 94 N 2.07 5.19 -0.10 2.71 1.01 -0.99 0.15 121.20 131.24 2dmk s ILE 94 Ca 0.05 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.54 2dmk s ILE 94 Cb -0.12 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2dmk s ILE 94 CO -0.04 0.41 -0.23 -0.36 0.00 0.00 0.00 174.94 174.72 2dmk s PHE 95 N 0.15 2.56 -0.19 3.97 0.40 0.98 -2.44 117.98 123.41 2dmk s PHE 95 Ca 0.23 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.58 2dmk s PHE 95 Cb -0.15 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.73 2dmk s PHE 95 CO 0.09 -0.37 0.00 0.42 0.70 0.00 0.00 175.22 176.07 2dmk s ILE 96 N 0.25 0.80 -0.11 0.64 1.01 0.35 -2.31 121.20 121.83 2dmk s ILE 96 Ca -0.16 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 2dmk s ILE 96 Cb -0.17 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2dmk s ILE 96 CO 0.08 -0.12 0.76 -0.69 0.00 0.00 0.00 174.94 174.97 2dmk s VAL 97 N 1.74 4.97 -0.23 2.92 1.01 -1.26 -2.44 120.40 127.11 2dmk s VAL 97 Ca -0.02 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2dmk s VAL 97 Cb -0.17 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.16 2dmk s VAL 97 CO -0.07 0.15 -0.13 -0.75 0.00 0.00 0.00 175.10 174.30 2dmk s LYS 98 N 1.40 2.68 0.05 2.72 2.20 0.41 -2.73 119.74 126.47 2dmk s LYS 98 Ca 0.38 -1.05 -0.25 0.00 -0.36 0.00 0.00 55.97 54.69 2dmk s LYS 98 Cb -0.17 -2.79 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 2dmk s LYS 98 CO 0.16 -0.39 0.76 0.00 -0.36 0.00 0.00 175.35 175.53 2dmk s ALA 99 N 1.23 3.37 -0.14 3.13 0.00 -1.00 -0.33 121.76 128.02 2dmk s ALA 99 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.25 2dmk s ALA 99 Cb -0.16 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2dmk s ALA 99 CO -0.08 0.07 -0.21 0.42 0.00 0.00 0.00 175.76 175.97 2dmk s ILE 100 N -0.08 2.22 0.18 0.00 1.01 -0.77 -1.96 121.20 121.79 2dmk s ILE 100 Ca 0.38 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2dmk s ILE 100 Cb -0.21 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 2dmk s ILE 100 CO 0.23 0.54 0.13 -0.46 0.00 0.00 0.00 174.94 175.38 2dmk n ASN 101 N 3.98 -0.04 -0.08 3.58 6.94 0.08 -1.49 115.26 128.22 2dmk n ASN 101 Ca -0.20 -2.12 0.03 0.00 -0.02 0.00 0.00 54.58 52.28 2dmk n ASN 101 Cb 0.52 0.79 0.37 0.00 -2.36 0.00 0.00 39.78 39.09 2dmk n ASN 101 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2dmk h GLN 102 N 0.00 0.68 0.39 -3.83 -0.00 -1.95 -2.95 115.11 107.44 2dmk h GLN 102 Ca -0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.46 2dmk h GLN 102 Cb 0.62 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2dmk h GLN 102 CO 0.19 0.45 -0.19 0.00 -0.00 0.00 0.00 178.83 179.29 2dmk h ALA 103 N 1.67 -0.52 0.00 0.06 0.00 -1.84 -3.50 119.26 115.13 2dmk h ALA 103 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dmk h ALA 103 Cb -0.03 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dmk h ALA 103 CO -0.05 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.02 2dmk n GLY 104 N -0.22 -0.89 2.91 0.00 0.00 -1.12 -4.85 105.19 101.03 2dmk n GLY 104 Ca -0.10 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.00 -0.01 -0.09 1.61 1.04 -1.26 -0.75 113.70 110.25 2dmk s SER 105 Ca 0.00 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2dmk s SER 105 Cb 0.00 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2dmk s SER 105 CO 0.00 -0.04 -0.15 -0.60 0.98 0.00 0.00 173.24 173.42 2dmk s ARG 106 N -0.15 2.15 -0.18 4.02 6.06 -0.83 -4.81 118.95 125.21 2dmk s ARG 106 Ca -0.02 -0.55 -0.11 0.00 -2.50 0.00 0.00 55.73 52.55 2dmk s ARG 106 Cb -0.01 -1.78 -0.05 0.00 0.06 0.00 0.00 34.95 33.17 2dmk s ARG 106 CO -0.00 -0.00 0.19 -0.80 -2.50 0.00 0.00 175.30 172.18 2dmk s ASN 107 N 0.81 6.30 0.89 -2.12 -0.87 -1.26 -2.38 114.94 116.31 2dmk s ASN 107 Ca -0.11 0.35 -0.11 0.00 -1.57 0.00 0.00 52.86 51.42 2dmk s ASN 107 Cb -0.16 -2.12 0.19 0.00 -0.02 0.00 0.00 41.25 39.14 2dmk s ASN 107 CO 0.02 0.17 1.22 -0.55 -2.57 0.00 0.00 177.10 175.39 2dmk s SER 108 N 0.30 3.42 0.48 -1.22 0.15 -1.11 -4.98 113.70 110.75 2dmk s SER 108 Ca 0.11 -0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 2dmk s SER 108 Cb -0.12 -0.10 -0.07 0.00 -1.71 0.00 0.00 66.02 64.02 2dmk s SER 108 CO 0.00 -2.51 1.11 -1.61 1.20 0.00 0.00 173.24 171.44 2dmk s GLU 109 N -5.66 3.69 -0.12 5.44 0.41 -1.26 -4.82 118.70 116.38 2dmk s GLU 109 Ca 0.72 1.61 -0.29 0.00 -0.41 0.00 0.00 54.97 56.60 2dmk s GLU 109 Cb -0.04 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 2dmk s GLU 109 CO 0.50 -0.57 1.54 -1.25 -0.49 0.00 0.00 175.26 175.00 2dmk s PRO 110 N -2.96 4.10 -0.35 0.39 0.04 -1.26 -4.75 135.00 130.21 2dmk s PRO 110 Ca 0.66 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.55 2dmk s PRO 110 Cb -0.24 -3.94 0.03 0.00 0.04 0.00 0.00 34.50 30.39 2dmk s PRO 110 CO 0.28 -0.92 0.13 0.99 0.04 0.00 0.00 177.00 177.52 2dmk s THR 111 N 4.19 4.00 -0.04 1.26 2.01 -0.98 -4.93 115.64 121.15 2dmk s THR 111 Ca 0.68 -1.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 2dmk s THR 111 Cb -0.28 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2dmk s THR 111 CO 0.26 -0.18 0.56 0.00 -0.69 0.00 0.00 174.62 174.56 2dmk s ARG 112 N 1.45 4.29 0.36 4.92 1.70 -1.26 -0.01 118.95 130.40 2dmk s ARG 112 Ca -0.01 0.64 0.03 0.00 -0.47 0.00 0.00 55.73 55.93 2dmk s ARG 112 Cb -0.19 -3.36 -0.04 0.00 -0.57 0.00 0.00 34.95 30.79 2dmk s ARG 112 CO 0.04 0.33 0.10 -0.51 -1.08 0.00 0.00 175.30 174.18 2dmk s LEU 113 N -0.01 2.01 -0.01 -1.89 1.43 0.12 -4.91 118.68 115.42 2dmk s LEU 113 Ca 0.30 -1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 2dmk s LEU 113 Cb -0.17 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 45.87 2dmk s LEU 113 CO 0.15 -0.80 0.03 -0.54 0.23 0.00 0.00 176.35 175.42 2dmk s LYS 114 N -3.81 0.03 0.79 1.70 -0.14 -1.26 -0.17 119.74 116.87 2dmk s LYS 114 Ca 0.30 0.04 -0.04 0.00 -1.36 0.00 0.00 55.97 54.91 2dmk s LYS 114 Cb 0.05 0.01 0.16 0.00 -1.68 0.00 0.00 37.83 36.37 2dmk s LYS 114 CO 0.15 -0.01 1.08 0.25 -0.76 0.00 0.00 175.35 176.06 2dmk n THR 115 N 3.11 0.00 -3.51 2.17 -2.24 -1.24 -4.68 114.28 107.89 2dmk n THR 115 Ca -0.13 -1.42 -0.19 0.00 -2.27 0.00 0.00 64.05 60.05 2dmk n THR 115 Cb 0.59 -1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 2dmk n THR 115 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dmk s ASN 116 N -5.25 5.83 0.98 3.42 2.20 -1.26 -4.21 114.94 116.65 2dmk s ASN 116 Ca 0.68 -0.26 -0.15 0.00 -0.94 0.00 0.00 52.86 52.19 2dmk s ASN 116 Cb -0.03 -1.15 0.08 0.00 -2.00 0.00 0.00 41.25 38.15 2dmk s ASN 116 CO 0.46 -0.44 -0.06 -1.20 -2.94 0.00 0.00 177.10 172.92 2dmk n SER 117 N -1.60 -2.75 -4.81 3.54 7.64 -1.26 -3.49 113.62 110.89 2dmk n SER 117 Ca 0.00 -0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.32 2dmk n SER 117 Cb 0.58 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -3.09 3.43 0.00 1.43 -0.21 -1.26 -4.49 119.66 115.47 2dmk s GLN 118 Ca 0.37 1.18 0.15 0.00 0.02 0.00 0.00 55.36 57.08 2dmk s GLN 118 Cb -0.04 -2.05 0.88 0.00 1.00 0.00 0.00 33.01 32.79 2dmk s GLN 118 CO 0.42 -0.71 1.36 -0.35 -2.12 0.00 0.00 175.29 173.88 2dmk n PRO 119 N -1.90 0.41 -1.87 2.91 -0.04 -1.26 -4.80 135.00 128.45 2dmk n PRO 119 Ca 0.08 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 2dmk n PRO 119 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.16 2.98 -0.07 0.54 0.40 -1.26 -5.00 117.98 113.41 2dmk s PHE 120 Ca 0.21 0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.08 2dmk s PHE 120 Cb 0.10 -3.99 -0.04 0.00 0.51 0.00 0.00 43.02 39.60 2dmk s PHE 120 CO 0.19 -3.62 0.17 0.15 0.70 0.00 0.00 175.22 172.82 2dmk s LYS 121 N 0.81 3.46 -0.30 0.44 1.02 -1.26 -5.08 119.74 118.83 2dmk s LYS 121 Ca 0.70 -0.17 -0.00 0.00 0.02 0.00 0.00 55.97 56.52 2dmk s LYS 121 Cb -0.46 -3.15 0.10 0.00 -0.52 0.00 0.00 37.83 33.79 2dmk s LYS 121 CO 0.35 0.74 0.08 0.45 -0.92 0.00 0.00 175.35 176.04 2dmk s SER 122 N -1.36 4.08 0.25 2.83 0.15 -1.26 -5.09 113.70 113.30 2dmk s SER 122 Ca 0.20 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2dmk s SER 122 Cb -0.12 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2dmk s SER 122 CO 0.10 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2dmk n GLY 123 N 4.76 -1.95 0.02 9.45 0.00 -1.26 -3.98 105.19 112.23 2dmk n GLY 123 Ca -0.02 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.24 0.03 -1.65 1.61 -0.04 -1.26 -4.81 135.00 126.64 2dmk n PRO 124 Ca 0.00 0.29 -0.48 0.00 -0.04 0.00 0.00 63.50 63.28 2dmk n PRO 124 Cb 0.25 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 2dmk n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmk n SER 125 N -1.63 2.77 -3.79 3.54 2.88 -1.26 -4.98 113.62 111.15 2dmk n SER 125 Ca 0.03 1.09 -0.13 0.00 -1.33 0.00 0.00 58.87 58.53 2dmk n SER 125 Cb 0.18 -1.37 -0.12 0.00 -0.75 0.00 0.00 64.21 62.15 2dmk n SER 125 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmk s SER 126 N 0.97 -0.24 0.00 -3.46 1.04 -1.26 -4.79 113.70 105.96 2dmk s SER 126 Ca 0.81 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2dmk s SER 126 Cb -0.75 0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2dmk s SER 126 CO 0.41 -0.08 0.50 0.61 0.98 0.00 0.00 173.24 175.65