#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 1.96 -0.01 1.61 0.15 -1.26 -5.14 113.70 111.02 2dmk s SER 2 Ca 0.00 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.35 2dmk s SER 2 Cb 0.00 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2dmk s SER 2 CO 0.00 -0.28 -0.15 -0.44 1.20 0.00 0.00 173.24 173.57 2dmk s SER 3 N 2.06 1.79 0.14 5.45 0.01 -1.26 -5.15 113.70 116.73 2dmk s SER 3 Ca 0.03 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.02 2dmk s SER 3 Cb -0.14 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2dmk s SER 3 CO -0.06 0.18 0.10 0.61 0.41 0.00 0.00 173.24 174.48 2dmk n GLY 4 N 2.68 3.03 4.44 3.44 0.00 -1.26 -4.67 105.19 112.84 2dmk n GLY 4 Ca -0.14 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.92 -1.75 0.05 1.61 7.64 -1.26 -4.81 113.62 113.18 2dmk n SER 5 Ca -0.01 -1.20 -0.11 0.00 1.01 0.00 0.00 58.87 58.56 2dmk n SER 5 Cb 0.16 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 61.74 2dmk n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dmk h SER 6 N -0.84 -0.17 -2.70 6.43 0.87 -2.05 -3.49 113.55 111.59 2dmk h SER 6 Ca -0.58 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2dmk h SER 6 Cb 1.34 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2dmk h SER 6 CO 0.87 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2dmk n GLY 7 N 0.57 0.42 3.52 5.77 0.00 -1.26 -5.11 105.19 109.09 2dmk n GLY 7 Ca -0.08 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 2dmk n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmk s GLU 8 N -2.90 1.06 0.00 1.61 -1.05 -1.26 -5.10 118.70 111.05 2dmk s GLU 8 Ca 0.00 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2dmk s GLU 8 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2dmk s GLU 8 CO 0.00 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.29 2dmk n GLY 9 N 0.93 -1.29 3.22 -3.83 0.00 -1.26 -5.16 105.19 97.81 2dmk n GLY 9 Ca -0.19 0.57 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.02 2.30 0.00 0.99 1.43 -1.26 -5.02 118.68 117.10 2dmk s LEU 10 Ca 0.00 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2dmk s LEU 10 Cb 0.00 -0.66 -0.11 0.00 0.03 0.00 0.00 46.19 45.45 2dmk s LEU 10 CO 0.00 -0.03 2.55 0.47 0.23 0.00 0.00 176.35 179.57 2dmk n ASP 11 N 1.10 4.94 -4.16 2.29 9.92 -1.26 -4.94 116.55 124.44 2dmk n ASP 11 Ca -0.20 -2.36 -0.35 0.00 -0.53 0.00 0.00 54.79 51.35 2dmk n ASP 11 Cb 0.54 -1.17 0.10 0.00 -0.64 0.00 0.00 41.12 39.95 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmk n TYR 12 N 1.98 -1.98 -0.13 1.24 4.19 -1.26 -4.96 117.16 116.23 2dmk n TYR 12 Ca 0.18 0.30 -0.19 0.00 3.31 0.00 0.00 57.90 61.50 2dmk n TYR 12 Cb 0.64 -1.51 -0.12 0.00 0.49 0.00 0.00 39.34 38.84 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2dmk n LEU 13 N 0.91 2.91 -0.26 2.98 -0.00 -1.26 -4.43 117.00 117.85 2dmk n LEU 13 Ca 0.00 -0.11 0.22 0.00 -0.00 0.00 0.00 56.01 56.13 2dmk n LEU 13 Cb 0.65 -0.91 0.38 0.00 -0.00 0.00 0.00 43.42 43.54 2dmk n LEU 13 CO 0.49 0.92 0.69 1.07 -0.00 0.00 0.00 177.39 180.56 2dmk n THR 14 N -3.33 -0.17 -3.82 1.96 5.66 -1.26 -4.06 114.28 109.27 2dmk n THR 14 Ca -0.47 1.08 -0.13 0.00 -3.05 0.00 0.00 64.05 61.49 2dmk n THR 14 Cb 0.98 -1.77 -0.13 0.00 -1.55 0.00 0.00 70.33 67.86 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 -4.63 -0.24 0.36 1.79 0.00 -1.26 -3.72 121.76 114.05 2dmk s ALA 15 Ca -0.05 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 2dmk s ALA 15 Cb 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 2dmk s ALA 15 CO 0.47 -0.07 1.21 -1.25 0.00 0.00 0.00 175.76 176.12 2dmk s PRO 16 N 0.30 4.25 0.33 0.00 0.04 -1.26 -4.73 135.00 133.92 2dmk s PRO 16 Ca -0.02 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2dmk s PRO 16 Cb -0.03 -2.89 -0.11 0.00 0.04 0.00 0.00 34.50 31.51 2dmk s PRO 16 CO -0.01 -0.19 1.46 -0.80 0.04 0.00 0.00 177.00 177.50 2dmk s ASN 17 N -0.87 6.49 0.03 6.66 0.02 -1.26 -4.51 114.94 121.51 2dmk s ASN 17 Ca 0.52 2.89 -0.30 0.00 -1.02 0.00 0.00 52.86 54.95 2dmk s ASN 17 Cb -0.34 -2.65 -0.06 0.00 0.02 0.00 0.00 41.25 38.22 2dmk s ASN 17 CO 0.44 -0.78 1.42 -2.16 0.02 0.00 0.00 177.10 176.04 2dmk s PRO 18 N -1.39 4.28 0.71 -0.60 0.04 -1.26 -4.84 135.00 131.94 2dmk s PRO 18 Ca 0.55 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.49 2dmk s PRO 18 Cb -0.45 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2dmk s PRO 18 CO 0.54 -0.56 1.10 -1.25 0.04 0.00 0.00 177.00 176.88 2dmk s PRO 19 N 2.13 2.56 -0.39 0.56 0.04 -1.26 -4.92 135.00 133.72 2dmk s PRO 19 Ca 0.65 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 2dmk s PRO 19 Cb -0.33 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.36 2dmk s PRO 19 CO 0.28 -1.42 0.18 -1.12 0.04 0.00 0.00 177.00 174.96 2dmk s SER 20 N -2.94 5.34 -0.47 6.66 0.01 0.11 -4.75 113.70 117.65 2dmk s SER 20 Ca 0.64 -1.64 -0.28 0.00 1.31 0.00 0.00 55.95 55.98 2dmk s SER 20 Cb -0.19 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 2dmk s SER 20 CO 0.48 -0.48 1.76 -0.63 0.41 0.00 0.00 173.24 174.78 2dmk s ILE 21 N 1.28 3.49 -0.12 1.44 1.01 -1.26 -0.47 121.20 126.57 2dmk s ILE 21 Ca 0.03 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 2dmk s ILE 21 Cb -0.22 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2dmk s ILE 21 CO -0.01 -0.70 1.26 -0.13 0.00 0.00 0.00 174.94 175.35 2dmk s ARG 22 N 6.14 4.27 0.11 2.79 1.81 0.17 -4.90 118.95 129.35 2dmk s ARG 22 Ca 0.71 1.69 0.25 0.00 -1.72 0.00 0.00 55.73 56.65 2dmk s ARG 22 Cb -0.17 -3.69 0.43 0.00 -0.45 0.00 0.00 34.95 31.07 2dmk s ARG 22 CO 0.28 -0.62 1.39 0.39 -0.68 0.00 0.00 175.30 176.06 2dmk n GLU 23 N 6.09 0.25 0.04 3.54 1.02 -1.26 -2.74 120.64 127.59 2dmk n GLU 23 Ca 0.13 0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 2dmk n GLU 23 Cb 0.45 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 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 -3.34 114.58 116.88 2dmk h GLU 24 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 2dmk h GLU 24 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2dmk h GLU 24 CO 0.00 0.41 -1.55 1.28 0.07 0.00 0.00 179.01 179.22 2dmk n LEU 25 N -3.01 0.80 -4.76 3.06 4.77 -1.25 -4.93 117.00 111.70 2dmk n LEU 25 Ca -0.08 0.36 -0.37 0.00 -0.03 0.00 0.00 56.01 55.90 2dmk n LEU 25 Cb 0.86 0.12 0.03 0.00 -2.33 0.00 0.00 43.42 42.10 2dmk n LEU 25 CO 0.43 0.22 0.87 0.00 -1.33 0.00 0.00 177.39 177.59 2dmk s THR 27 N -1.52 2.04 -0.07 0.00 -4.23 0.51 -4.97 115.64 107.40 2dmk s THR 27 Ca 0.74 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2dmk s THR 27 Cb -0.32 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.69 2dmk s THR 27 CO 0.36 0.04 -0.22 0.00 -0.54 0.00 0.00 174.62 174.26 2dmk s ALA 28 N -1.10 1.95 0.22 3.99 0.00 -1.26 -0.96 121.76 124.60 2dmk s ALA 28 Ca 0.11 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2dmk s ALA 28 Cb -0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2dmk s ALA 28 CO 0.05 0.30 -0.01 -1.12 0.00 0.00 0.00 175.76 174.99 2dmk s SER 29 N 0.19 1.77 0.02 0.00 0.01 0.36 -4.61 113.70 111.44 2dmk s SER 29 Ca -0.11 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 55.89 2dmk s SER 29 Cb -0.15 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 2dmk s SER 29 CO 0.06 -0.51 1.08 0.00 0.41 0.00 0.00 173.24 174.27 2dmk n HIS 30 N -0.40 -0.07 -1.85 2.43 1.44 -1.26 -2.81 115.22 112.70 2dmk n HIS 30 Ca -0.05 0.19 -0.10 0.00 -2.01 0.00 0.00 57.72 55.75 2dmk n HIS 30 Cb 0.64 -0.51 0.10 0.00 0.12 0.00 0.00 29.99 30.34 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 -3.34 3.43 -3.65 4.39 8.00 -1.26 -1.66 116.55 122.46 2dmk n ASP 31 Ca 0.00 -3.78 -0.15 0.00 0.71 0.00 0.00 54.79 51.57 2dmk n ASP 31 Cb 0.04 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dmk s THR 32 N -3.94 0.02 -0.15 -3.53 2.01 -1.12 -1.34 115.64 107.58 2dmk s THR 32 Ca 0.45 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2dmk s THR 32 Cb 0.39 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 72.15 2dmk s THR 32 CO -0.01 -0.11 0.40 -0.63 -0.69 0.00 0.00 174.62 173.57 2dmk s ILE 33 N -1.01 -0.01 -0.20 1.82 1.01 -0.96 0.13 121.20 121.98 2dmk s ILE 33 Ca -0.10 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 2dmk s ILE 33 Cb -0.03 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2dmk s ILE 33 CO 0.06 0.01 -0.14 -0.89 0.00 0.00 0.00 174.94 173.99 2dmk s THR 34 N 0.55 2.51 -0.19 2.92 2.01 -0.14 -0.78 115.64 122.53 2dmk s THR 34 Ca -0.03 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 2dmk s THR 34 Cb -0.04 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2dmk s THR 34 CO -0.03 0.44 0.04 -0.69 -0.69 0.00 0.00 174.62 173.69 2dmk s VAL 35 N 1.33 4.49 -0.19 3.82 1.01 -1.23 -0.36 120.40 129.27 2dmk s VAL 35 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2dmk s VAL 35 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2dmk s VAL 35 CO -0.09 0.44 0.02 -1.00 0.00 0.00 0.00 175.10 174.47 2dmk s HIS 36 N 0.62 3.11 -0.09 5.22 3.76 -1.26 -3.33 115.29 123.32 2dmk s HIS 36 Ca 0.02 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 54.72 2dmk s HIS 36 Cb -0.13 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 2dmk s HIS 36 CO 0.02 -0.09 -0.20 1.67 -0.85 0.00 0.00 174.74 175.30 2dmk s TRP 37 N 0.75 2.63 -0.09 1.40 -2.14 -0.97 0.45 118.94 120.97 2dmk s TRP 37 Ca 0.01 -0.73 -0.00 0.00 2.66 0.00 0.00 56.10 58.04 2dmk s TRP 37 Cb -0.14 -1.72 -0.03 0.00 -3.10 0.00 0.00 33.47 28.49 2dmk s TRP 37 CO 0.02 -0.23 -0.08 -1.50 -2.66 0.00 0.00 176.95 172.50 2dmk s ILE 38 N 0.09 3.60 0.11 0.66 1.10 0.37 -4.84 121.20 122.29 2dmk s ILE 38 Ca -0.09 -0.50 0.04 0.00 -0.51 0.00 0.00 60.65 59.59 2dmk s ILE 38 Cb -0.15 -2.50 -0.04 0.00 0.15 0.00 0.00 42.46 39.92 2dmk s ILE 38 CO 0.06 0.57 -0.10 -0.94 -2.11 0.00 0.00 174.94 172.41 2dmk s SER 39 N -0.39 1.56 0.28 4.50 1.04 -1.26 0.07 113.70 119.50 2dmk s SER 39 Ca 0.05 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2dmk s SER 39 Cb -0.12 0.00 0.42 0.00 0.10 0.00 0.00 66.02 66.42 2dmk s SER 39 CO 0.02 -0.27 1.75 -0.78 0.98 0.00 0.00 173.24 174.94 2dmk h ASP 40 N 3.40 0.55 -1.18 7.02 3.58 -1.94 -3.43 116.42 124.41 2dmk h ASP 40 Ca -0.37 -0.16 0.13 0.00 0.42 0.00 0.00 57.03 57.05 2dmk h ASP 40 Cb 1.19 -0.15 -0.21 0.00 1.72 0.00 0.00 39.33 41.88 2dmk h ASP 40 CO 0.55 0.73 -0.06 -1.81 -2.88 0.00 0.00 179.24 175.77 2dmk s ASP 41 N -6.77 -0.99 -0.07 2.28 1.01 -1.26 -5.02 116.67 105.85 2dmk s ASP 41 Ca -0.08 0.97 0.18 0.00 0.71 0.00 0.00 52.55 54.33 2dmk s ASP 41 Cb 0.14 1.97 0.62 0.00 1.01 0.00 0.00 42.92 46.66 2dmk s ASP 41 CO 0.79 -0.19 1.53 -1.84 0.21 0.00 0.00 175.17 175.67 2dmk n GLU 42 N 5.34 3.28 0.22 8.23 0.28 -1.26 -4.35 120.64 132.38 2dmk n GLU 42 Ca -0.07 -2.69 0.11 0.00 -0.16 0.00 0.00 57.16 54.34 2dmk n GLU 42 Cb 0.51 -1.70 0.38 0.00 1.43 0.00 0.00 31.44 32.06 2dmk n GLU 42 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2dmk h PHE 43 N 3.62 0.00 0.17 -1.84 -1.00 -2.00 -3.21 116.94 112.68 2dmk h PHE 43 Ca 0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 2dmk h PHE 43 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2dmk h PHE 43 CO 0.59 0.19 -1.80 0.77 -1.61 0.00 0.00 178.31 176.44 2dmk h SER 44 N 0.00 0.55 -3.45 2.17 0.02 -2.02 -3.46 113.55 107.36 2dmk h SER 44 Ca -0.00 -0.91 -0.53 0.00 -0.84 0.00 0.00 61.79 59.51 2dmk h SER 44 Cb 0.85 -0.18 0.09 0.00 0.14 0.00 0.00 62.40 63.30 2dmk h SER 44 CO 0.02 1.78 0.87 -0.63 -1.14 0.00 0.00 176.83 177.74 2dmk s ILE 45 N -2.58 2.03 -0.03 3.27 1.01 -1.21 -4.76 121.20 118.93 2dmk s ILE 45 Ca -0.17 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 2dmk s ILE 45 Cb 0.06 -3.02 -0.32 0.00 0.01 0.00 0.00 42.46 39.19 2dmk s ILE 45 CO 0.83 0.00 0.74 -1.28 0.00 0.00 0.00 174.94 175.23 2dmk h SER 46 N 4.47 0.67 -5.01 3.58 0.87 -1.76 -3.49 113.55 112.87 2dmk h SER 46 Ca -0.48 -0.93 -0.03 0.00 -1.23 0.00 0.00 61.79 59.12 2dmk h SER 46 Cb 1.22 -0.22 -0.13 0.00 -0.44 0.00 0.00 62.40 62.83 2dmk h SER 46 CO 0.76 1.77 0.15 -0.94 -0.53 0.00 0.00 176.83 178.05 2dmk s SER 47 N -7.36 -0.52 0.31 6.23 1.04 -1.12 -5.01 113.70 107.28 2dmk s SER 47 Ca -0.15 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.41 2dmk s SER 47 Cb 0.05 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2dmk s SER 47 CO 0.87 -0.89 0.16 -0.31 0.98 0.00 0.00 173.24 174.06 2dmk s TYR 48 N -3.36 2.81 -0.02 5.02 2.02 -0.72 -2.21 117.35 120.89 2dmk s TYR 48 Ca -0.01 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2dmk s TYR 48 Cb -0.00 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 2dmk s TYR 48 CO -0.09 0.38 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.20 2dmk s GLU 49 N -3.85 0.72 -0.20 -0.62 2.56 -0.56 -3.58 118.70 113.18 2dmk s GLU 49 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 54.97 55.08 2dmk s GLU 49 Cb -0.05 -0.71 -0.02 0.00 2.00 0.00 0.00 34.13 35.35 2dmk s GLU 49 CO 0.23 0.07 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.82 2dmk s LEU 50 N 0.26 3.18 -0.22 2.70 2.96 -1.25 -1.50 118.68 124.81 2dmk s LEU 50 Ca -0.03 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2dmk s LEU 50 Cb -0.08 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.85 2dmk s LEU 50 CO 0.00 0.06 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.84 2dmk s GLN 51 N 1.02 2.57 0.03 1.98 -0.21 -0.96 -2.32 119.66 121.77 2dmk s GLN 51 Ca 0.01 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.34 2dmk s GLN 51 Cb -0.14 -2.72 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 2dmk s GLN 51 CO 0.01 -0.40 -0.13 1.52 -2.12 0.00 0.00 175.29 174.17 2dmk s TYR 52 N 1.20 1.15 -0.12 0.91 1.13 -0.92 -0.79 117.35 119.92 2dmk s TYR 52 Ca -0.02 -0.34 -0.22 0.00 -1.41 0.00 0.00 57.07 55.07 2dmk s TYR 52 Cb -0.17 -0.69 0.05 0.00 -1.10 0.00 0.00 41.96 40.06 2dmk s TYR 52 CO -0.09 0.02 0.55 -0.08 -2.51 0.00 0.00 175.55 173.44 2dmk s THR 53 N -0.82 0.01 -0.03 -3.49 -1.32 -1.09 -1.24 115.64 107.66 2dmk s THR 53 Ca 0.01 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 2dmk s THR 53 Cb -0.08 -0.82 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 2dmk s THR 53 CO 0.01 -0.05 1.32 -0.63 -2.21 0.00 0.00 174.62 173.05 2dmk s ILE 54 N -0.51 3.95 -0.30 5.08 1.01 -1.26 -2.29 121.20 126.88 2dmk s ILE 54 Ca -0.06 1.30 -0.07 0.00 0.00 0.00 0.00 60.65 61.82 2dmk s ILE 54 Cb -0.03 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2dmk s ILE 54 CO 0.04 -0.00 0.08 0.12 0.00 0.00 0.00 174.94 175.18 2dmk s PHE 55 N 2.35 3.15 0.03 3.97 2.19 -0.73 -4.94 117.98 124.01 2dmk s PHE 55 Ca 0.60 -0.98 0.00 0.00 0.33 0.00 0.00 56.93 56.88 2dmk s PHE 55 Cb -0.28 -2.26 0.00 0.00 -1.31 0.00 0.00 43.02 39.17 2dmk s PHE 55 CO 0.24 -0.58 0.00 0.25 1.83 0.00 0.00 175.22 176.96 2dmk n THR 56 N 4.87 0.37 0.00 0.12 -2.24 -1.26 -4.14 114.28 112.00 2dmk n THR 56 Ca -0.14 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2dmk n THR 56 Cb 0.48 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 3.49 0.00 0.06 3.38 0.00 -1.26 -5.05 105.19 105.81 2dmk n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2dmk n GLY 57 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dmk h GLN 58 N 0.00 -0.05 0.00 1.61 -0.00 -1.97 -3.48 115.11 111.22 2dmk h GLN 58 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 58.65 58.84 2dmk h GLN 58 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.46 2dmk h GLN 58 CO 0.00 0.07 0.54 0.00 -0.00 0.00 0.00 178.83 179.44 2dmk n ALA 59 N -2.16 -2.28 -0.89 0.06 0.00 -1.26 -5.15 120.51 108.82 2dmk n ALA 59 Ca -0.08 -0.64 -0.36 0.00 0.00 0.00 0.00 53.44 52.36 2dmk n ALA 59 Cb 0.09 0.24 0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.93 -3.31 0.05 0.00 3.02 -1.26 -4.82 115.26 108.00 2dmk n ASN 60 Ca 0.01 0.03 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2dmk n ASN 60 Cb 0.41 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.33 -0.12 -0.84 3.10 3.57 -2.01 -3.24 116.94 116.06 2dmk h PHE 61 Ca -0.44 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.18 2dmk h PHE 61 Cb 1.36 0.04 -0.14 0.00 2.79 0.00 0.00 35.95 40.00 2dmk h PHE 61 CO 0.11 -0.08 -0.41 0.82 -2.23 0.00 0.00 178.31 176.53 2dmk h ILE 62 N -0.24 0.05 -0.91 1.41 1.08 -1.96 0.27 117.51 117.20 2dmk h ILE 62 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2dmk h ILE 62 Cb 0.10 0.05 -0.12 0.00 -3.07 0.00 0.00 36.82 33.78 2dmk h ILE 62 CO 0.02 0.00 -0.48 -1.54 -0.69 0.00 0.00 178.15 175.46 2dmk n SER 63 N -5.43 -0.84 0.13 1.72 3.41 -1.25 0.81 113.62 112.17 2dmk n SER 63 Ca 0.07 1.61 -0.06 0.00 -0.26 0.00 0.00 58.87 60.22 2dmk n SER 63 Cb 0.37 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2dmk n SER 63 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2dmk h LEU 64 N 0.00 -0.33 -1.58 1.04 5.85 -1.12 -3.19 115.31 115.99 2dmk h LEU 64 Ca 0.20 0.01 0.46 0.00 0.84 0.00 0.00 57.88 59.39 2dmk h LEU 64 Cb 0.43 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2dmk h LEU 64 CO -0.87 -0.03 1.35 0.00 -0.34 0.00 0.00 178.44 178.54 2dmk n TYR 65 N -4.14 0.00 0.14 1.25 9.36 0.77 0.65 117.16 125.18 2dmk n TYR 65 Ca -0.05 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.04 2dmk n TYR 65 Cb 0.15 -0.40 -0.08 0.00 -0.63 0.00 0.00 39.34 38.39 2dmk n TYR 65 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2dmk h ASN 66 N 0.00 -0.30 -0.25 2.98 -0.73 0.42 -3.12 115.58 114.58 2dmk h ASN 66 Ca 0.75 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.70 2dmk h ASN 66 Cb 3.44 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 42.09 2dmk h ASN 66 CO -0.01 0.04 0.06 0.28 -0.37 0.00 0.00 177.43 177.43 2dmk h SER 67 N -0.68 0.45 -4.49 1.15 0.02 0.18 -3.45 113.55 106.74 2dmk h SER 67 Ca -0.04 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 2dmk h SER 67 Cb 0.47 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.78 2dmk h SER 67 CO 0.06 0.48 -0.28 0.55 -1.14 0.00 0.00 176.83 176.50 2dmk n VAL 68 N -4.33 0.00 -0.10 2.27 3.14 -0.74 -4.70 118.33 113.87 2dmk n VAL 68 Ca 0.02 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.20 2dmk n VAL 68 Cb 0.20 -0.15 -0.11 0.00 -1.06 0.00 0.00 33.84 32.71 2dmk n VAL 68 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 2dmk h ASP 69 N -0.27 0.00 -0.40 6.55 3.04 -1.87 -3.38 116.42 120.09 2dmk h ASP 69 Ca -0.18 -0.56 -0.10 0.00 -3.24 0.00 0.00 57.03 52.94 2dmk h ASP 69 Cb 0.72 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.99 2dmk h ASP 69 CO 0.28 1.38 -0.12 0.28 -2.04 0.00 0.00 179.24 179.02 2dmk h SER 70 N -1.00 0.86 -1.18 4.15 0.02 -1.96 -3.45 113.55 110.99 2dmk h SER 70 Ca -0.28 -0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 59.84 2dmk h SER 70 Cb 1.22 -0.23 0.12 0.00 0.14 0.00 0.00 62.40 63.65 2dmk h SER 70 CO -0.17 0.99 -0.65 0.79 -1.14 0.00 0.00 176.83 176.65 2dmk n TRP 71 N -4.15 -1.19 -3.90 3.45 7.02 -1.26 -4.93 117.44 112.48 2dmk n TRP 71 Ca 0.01 0.67 -0.35 0.00 -1.02 0.00 0.00 57.50 56.81 2dmk n TRP 71 Cb 0.39 -1.60 -0.05 0.00 -2.42 0.00 0.00 31.31 27.62 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 -0.86 3.42 0.01 -0.99 -1.94 -0.37 -4.98 119.30 113.60 2dmk s MET 72 Ca 0.53 -0.23 0.04 0.00 -1.71 0.00 0.00 55.69 54.32 2dmk s MET 72 Cb -0.66 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.03 2dmk s MET 72 CO 0.51 0.73 -0.12 0.42 -0.01 0.00 0.00 175.02 176.55 2dmk s ILE 73 N -1.17 0.98 -0.39 2.53 1.09 -1.26 -2.16 121.20 120.82 2dmk s ILE 73 Ca 0.21 -0.74 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 2dmk s ILE 73 Cb -0.12 -0.86 0.13 0.00 -1.06 0.00 0.00 42.46 40.55 2dmk s ILE 73 CO 0.11 0.12 0.20 -0.69 -0.10 0.00 0.00 174.94 174.57 2dmk s VAL 74 N -0.57 0.98 1.22 2.92 1.01 -0.98 -4.99 120.40 119.98 2dmk s VAL 74 Ca 0.02 -2.06 -0.20 0.00 0.00 0.00 0.00 61.98 59.75 2dmk s VAL 74 Cb -0.06 -1.71 0.29 0.00 0.00 0.00 0.00 36.38 34.91 2dmk s VAL 74 CO 0.00 -0.86 1.11 -2.16 0.00 0.00 0.00 175.10 173.20 2dmk s PRO 75 N 0.85 -1.35 -0.98 2.72 0.04 -1.26 -3.75 135.00 131.27 2dmk s PRO 75 Ca 0.16 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 61.07 2dmk s PRO 75 Cb -0.22 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2dmk s PRO 75 CO -0.06 -3.79 0.83 0.09 0.04 0.00 0.00 177.00 174.11 2dmk n ASN 76 N -4.80 -3.46 -4.15 6.66 3.02 -1.26 -5.00 115.26 106.27 2dmk n ASN 76 Ca 0.14 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 2dmk n ASN 76 Cb 0.60 -4.50 -0.13 0.00 -0.61 0.00 0.00 39.78 35.14 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 3.18 -0.42 2.41 1.01 -1.23 -4.96 121.20 117.87 2dmk s ILE 77 Ca 0.14 -1.74 0.04 0.00 0.00 0.00 0.00 60.65 59.09 2dmk s ILE 77 Cb -0.02 -3.03 0.46 0.00 0.01 0.00 0.00 42.46 39.88 2dmk s ILE 77 CO 0.63 -0.43 1.48 0.29 0.00 0.00 0.00 174.94 176.90 2dmk n LYS 78 N 4.61 3.30 -4.36 2.79 4.76 -1.26 -1.75 118.16 126.25 2dmk n LYS 78 Ca -0.07 -3.88 -0.19 0.00 -2.87 0.00 0.00 58.31 51.30 2dmk n LYS 78 Cb 0.42 -2.28 -0.10 0.00 -1.84 0.00 0.00 35.03 31.23 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 -3.68 1.57 -0.01 1.97 -2.07 -1.26 -5.04 119.66 111.15 2dmk s GLN 79 Ca 0.56 -1.89 0.21 0.00 -1.82 0.00 0.00 55.36 52.41 2dmk s GLN 79 Cb 0.44 -0.31 0.61 0.00 -1.09 0.00 0.00 33.01 32.66 2dmk s GLN 79 CO 0.02 -0.37 1.51 0.09 -1.32 0.00 0.00 175.29 175.22 2dmk n ASN 80 N -0.78 3.70 -3.55 12.60 4.13 -1.26 -4.87 115.26 125.23 2dmk n ASN 80 Ca -0.01 -2.03 -0.00 0.00 1.68 0.00 0.00 54.58 54.23 2dmk n ASN 80 Cb 0.66 -0.46 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.13 -0.52 -0.15 3.10 -3.43 -1.26 -2.28 115.29 109.61 2dmk s HIS 81 Ca 0.46 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.71 2dmk s HIS 81 Cb 0.24 0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2dmk s HIS 81 CO 0.31 -0.26 -0.15 -0.47 -2.00 0.00 0.00 174.74 172.16 2dmk s TYR 82 N 1.68 2.78 -0.53 0.38 6.14 -1.21 -4.96 117.35 121.63 2dmk s TYR 82 Ca -0.07 -1.03 -0.24 0.00 0.64 0.00 0.00 57.07 56.37 2dmk s TYR 82 Cb -0.04 -1.89 0.04 0.00 0.42 0.00 0.00 41.96 40.49 2dmk s TYR 82 CO -0.15 -0.47 0.91 0.99 0.64 0.00 0.00 175.55 177.47 2dmk s THR 83 N 0.81 4.44 -0.43 4.34 2.01 -1.26 -3.53 115.64 122.01 2dmk s THR 83 Ca -0.05 0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2dmk s THR 83 Cb -0.15 -4.50 0.03 0.00 0.01 0.00 0.00 72.50 67.89 2dmk s THR 83 CO 0.00 -1.04 1.10 -0.69 -0.69 0.00 0.00 174.62 173.30 2dmk s VAL 84 N 3.80 4.32 0.05 3.82 1.01 0.04 -4.91 120.40 128.53 2dmk s VAL 84 Ca 0.30 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2dmk s VAL 84 Cb -0.13 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 2dmk s VAL 84 CO 0.20 -0.85 0.27 -1.00 0.00 0.00 0.00 175.10 173.72 2dmk s HIS 85 N 4.16 3.54 0.00 5.22 3.76 -1.26 -2.26 115.29 128.44 2dmk s HIS 85 Ca 0.46 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 2dmk s HIS 85 Cb -0.09 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.68 2dmk s HIS 85 CO 0.27 0.57 0.00 0.41 -0.85 0.00 0.00 174.74 175.14 2dmk n GLY 86 N 0.67 0.84 3.42 -2.22 0.00 -0.60 -5.01 105.19 102.29 2dmk n GLY 86 Ca -0.08 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.24 0.00 -4.70 0.99 4.77 -0.45 -5.00 117.00 112.37 2dmk n LEU 87 Ca 0.00 -2.38 -0.34 0.00 -0.03 0.00 0.00 56.01 53.26 2dmk n LEU 87 Cb 0.18 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2dmk n LEU 87 CO 0.00 -0.62 -0.30 -1.10 -1.33 0.00 0.00 177.39 174.04 2dmk s GLN 88 N -4.16 2.93 0.13 3.23 -1.52 -1.26 -4.33 119.66 114.68 2dmk s GLN 88 Ca 0.41 -0.48 -0.28 0.00 -1.95 0.00 0.00 55.36 53.06 2dmk s GLN 88 Cb -0.03 -2.77 -0.07 0.00 -0.22 0.00 0.00 33.01 29.93 2dmk s GLN 88 CO 0.26 0.67 0.89 -1.12 -0.25 0.00 0.00 175.29 175.74 2dmk s SER 89 N -1.19 7.44 -0.93 5.90 0.01 -0.66 -3.91 113.70 120.37 2dmk s SER 89 Ca 0.16 1.72 -0.02 0.00 1.31 0.00 0.00 55.95 59.12 2dmk s SER 89 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dmk s SER 89 CO 0.06 0.03 0.79 0.61 0.41 0.00 0.00 173.24 175.14 2dmk n GLY 90 N 2.06 -0.15 3.00 3.44 0.00 -1.11 -4.83 105.19 107.59 2dmk n GLY 90 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.25 0.06 0.15 2.61 2.01 -1.25 -4.93 115.64 111.04 2dmk s THR 91 Ca 0.16 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2dmk s THR 91 Cb -0.07 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.12 2dmk s THR 91 CO 0.54 -0.29 1.18 -0.13 -0.69 0.00 0.00 174.62 175.22 2dmk s ARG 92 N -0.91 4.50 -0.09 4.92 0.52 -1.26 -2.92 118.95 123.71 2dmk s ARG 92 Ca -0.10 1.82 -0.01 0.00 -0.52 0.00 0.00 55.73 56.92 2dmk s ARG 92 Cb -0.06 -3.27 0.03 0.00 0.52 0.00 0.00 34.95 32.17 2dmk s ARG 92 CO 0.00 -0.10 -0.00 0.71 0.02 0.00 0.00 175.30 175.93 2dmk s TYR 93 N 0.19 0.80 0.02 -0.53 1.51 0.58 -1.77 117.35 118.16 2dmk s TYR 93 Ca 0.54 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 56.11 2dmk s TYR 93 Cb -0.31 -0.88 -0.06 0.00 -0.11 0.00 0.00 41.96 40.60 2dmk s TYR 93 CO 0.34 -0.38 0.51 0.42 -1.11 0.00 0.00 175.55 175.34 2dmk s ILE 94 N 1.93 4.89 -0.03 2.71 1.01 -0.97 -1.07 121.20 129.67 2dmk s ILE 94 Ca 0.04 1.07 0.06 0.00 0.00 0.00 0.00 60.65 61.82 2dmk s ILE 94 Cb -0.13 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2dmk s ILE 94 CO -0.06 0.53 -0.20 -0.36 0.00 0.00 0.00 174.94 174.84 2dmk s PHE 95 N -0.84 1.91 -0.22 3.97 0.40 -0.56 -2.66 117.98 119.98 2dmk s PHE 95 Ca 0.27 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2dmk s PHE 95 Cb -0.18 -1.25 0.10 0.00 0.51 0.00 0.00 43.02 42.19 2dmk s PHE 95 CO 0.16 -0.10 0.20 0.42 0.70 0.00 0.00 175.22 176.60 2dmk s ILE 96 N -0.27 -0.27 0.19 0.64 1.01 0.03 -0.75 121.20 121.79 2dmk s ILE 96 Ca 0.02 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 2dmk s ILE 96 Cb -0.10 -0.75 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 2dmk s ILE 96 CO 0.01 -0.33 0.79 -0.69 0.00 0.00 0.00 174.94 174.72 2dmk s VAL 97 N 2.27 4.36 -0.14 2.92 1.01 -1.26 -2.26 120.40 127.30 2dmk s VAL 97 Ca 0.07 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 2dmk s VAL 97 Cb -0.16 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2dmk s VAL 97 CO -0.18 0.45 -0.10 -0.75 0.00 0.00 0.00 175.10 174.52 2dmk s LYS 98 N -1.33 1.86 -0.44 2.72 2.20 -0.57 -0.99 119.74 123.19 2dmk s LYS 98 Ca 0.38 -0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 55.29 2dmk s LYS 98 Cb -0.22 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 2dmk s LYS 98 CO 0.26 -0.29 0.81 0.00 -0.36 0.00 0.00 175.35 175.76 2dmk s ALA 99 N 1.58 3.30 -0.08 3.13 0.00 -0.90 -1.50 121.76 127.30 2dmk s ALA 99 Ca 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 2dmk s ALA 99 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2dmk s ALA 99 CO -0.09 -1.88 0.07 0.42 0.00 0.00 0.00 175.76 174.29 2dmk s ILE 100 N 3.34 4.87 0.36 0.00 1.09 -0.94 -1.77 121.20 128.15 2dmk s ILE 100 Ca 0.31 -0.10 -0.04 0.00 -1.10 0.00 0.00 60.65 59.72 2dmk s ILE 100 Cb -0.12 -3.12 0.01 0.00 -1.06 0.00 0.00 42.46 38.18 2dmk s ILE 100 CO 0.22 0.56 0.54 0.54 -0.10 0.00 0.00 174.94 176.70 2dmk s ASN 101 N -1.12 0.83 0.58 3.58 4.22 0.07 -2.25 114.94 120.85 2dmk s ASN 101 Ca 0.16 -1.46 0.28 0.00 -2.14 0.00 0.00 52.86 49.70 2dmk s ASN 101 Cb -0.12 0.71 1.54 0.00 1.28 0.00 0.00 41.25 44.66 2dmk s ASN 101 CO 0.06 -1.40 2.01 -0.61 -2.04 0.00 0.00 177.10 175.12 2dmk h GLN 102 N 2.07 0.00 0.00 3.55 5.75 -1.96 -3.06 115.11 121.45 2dmk h GLN 102 Ca -0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2dmk h GLN 102 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2dmk h GLN 102 CO 0.39 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 2dmk n ALA 103 N -2.40 -0.03 -2.02 3.38 0.00 -1.26 -5.09 120.51 113.10 2dmk n ALA 103 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dmk n ALA 103 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.83 3.46 3.17 0.00 0.00 -1.16 -4.94 105.19 107.54 2dmk n GLY 104 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.09 -0.19 1.61 1.04 -1.26 -0.75 113.70 116.05 2dmk s SER 105 Ca 0.00 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2dmk s SER 105 Cb 0.00 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2dmk s SER 105 CO 0.00 -0.40 0.00 -0.60 0.98 0.00 0.00 173.24 173.23 2dmk s ARG 106 N -1.29 0.96 -0.11 4.02 6.06 -0.73 -4.80 118.95 123.06 2dmk s ARG 106 Ca -0.14 -0.54 -0.27 0.00 -2.50 0.00 0.00 55.73 52.29 2dmk s ARG 106 Cb -0.06 -2.16 -0.02 0.00 0.06 0.00 0.00 34.95 32.77 2dmk s ARG 106 CO 0.03 -0.59 0.86 -0.80 -2.50 0.00 0.00 175.30 172.30 2dmk s ASN 107 N 1.73 7.09 1.00 -2.12 -0.87 -1.26 -2.11 114.94 118.40 2dmk s ASN 107 Ca -0.02 1.33 -0.17 0.00 -1.57 0.00 0.00 52.86 52.44 2dmk s ASN 107 Cb -0.17 -2.48 0.22 0.00 -0.02 0.00 0.00 41.25 38.79 2dmk s ASN 107 CO -0.07 -0.33 1.31 -0.55 -2.57 0.00 0.00 177.10 174.89 2dmk s SER 108 N 1.04 2.76 0.49 -1.22 0.15 -0.17 -5.00 113.70 111.76 2dmk s SER 108 Ca 0.42 0.27 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 2dmk s SER 108 Cb -0.18 -0.31 -0.08 0.00 -1.71 0.00 0.00 66.02 63.74 2dmk s SER 108 CO 0.17 -2.96 1.02 -1.83 1.20 0.00 0.00 173.24 170.84 2dmk s GLU 109 N -5.86 3.85 -0.18 5.44 -1.05 -1.26 -4.75 118.70 114.88 2dmk s GLU 109 Ca 0.74 1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 56.54 2dmk s GLU 109 Cb -0.04 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.51 2dmk s GLU 109 CO 0.54 -0.37 1.58 -1.25 0.95 0.00 0.00 175.26 176.71 2dmk s PRO 110 N -3.37 3.92 -0.47 -4.83 0.04 -1.26 -4.65 135.00 124.38 2dmk s PRO 110 Ca 0.65 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 63.29 2dmk s PRO 110 Cb -0.14 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.46 2dmk s PRO 110 CO 0.21 -1.14 0.46 0.99 0.04 0.00 0.00 177.00 177.55 2dmk s THR 111 N 4.79 5.11 -0.12 1.26 2.01 0.07 -4.89 115.64 123.87 2dmk s THR 111 Ca 0.70 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2dmk s THR 111 Cb -0.26 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 2dmk s THR 111 CO 0.28 -0.59 1.21 -0.13 -0.69 0.00 0.00 174.62 174.69 2dmk s ARG 112 N 2.00 4.29 0.23 4.92 0.52 -1.26 -1.50 118.95 128.15 2dmk s ARG 112 Ca 0.09 1.63 0.08 0.00 -0.52 0.00 0.00 55.73 57.01 2dmk s ARG 112 Cb -0.21 -3.66 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2dmk s ARG 112 CO 0.10 -0.58 -0.13 -0.51 0.02 0.00 0.00 175.30 174.20 2dmk s LEU 113 N 2.88 2.54 -0.03 2.53 1.43 -0.23 -4.98 118.68 122.82 2dmk s LEU 113 Ca 0.54 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2dmk s LEU 113 Cb -0.22 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.31 2dmk s LEU 113 CO 0.17 -0.18 -0.04 -0.54 0.23 0.00 0.00 176.35 175.99 2dmk s LYS 114 N -3.65 0.69 0.82 1.70 1.02 -1.26 -0.30 119.74 118.75 2dmk s LYS 114 Ca 0.25 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 2dmk s LYS 114 Cb -0.00 -0.71 0.11 0.00 -0.52 0.00 0.00 37.83 36.70 2dmk s LYS 114 CO 0.09 -0.05 1.16 0.95 -0.92 0.00 0.00 175.35 176.58 2dmk s THR 115 N 0.74 2.08 0.04 2.17 -4.23 -1.15 -4.82 115.64 110.48 2dmk s THR 115 Ca -0.09 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.12 2dmk s THR 115 Cb -0.12 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 2dmk s THR 115 CO -0.00 0.00 0.52 0.54 -0.54 0.00 0.00 174.62 175.14 2dmk s ASN 116 N -4.66 6.98 0.01 3.99 2.20 -1.26 -3.83 114.94 118.38 2dmk s ASN 116 Ca 0.65 1.16 -0.03 0.00 -0.94 0.00 0.00 52.86 53.71 2dmk s ASN 116 Cb -0.09 -2.33 -0.01 0.00 -2.00 0.00 0.00 41.25 36.83 2dmk s ASN 116 CO 0.49 0.27 0.88 -1.54 -2.94 0.00 0.00 177.10 174.26 2dmk n SER 117 N 1.85 -0.09 -4.20 3.54 3.41 -1.26 -2.77 113.62 114.10 2dmk n SER 117 Ca -0.11 0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2dmk n SER 117 Cb 0.51 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dmk s GLN 118 N -3.24 0.94 0.00 4.33 1.11 -1.26 -4.04 119.66 117.51 2dmk s GLN 118 Ca -0.01 -1.41 0.16 0.00 0.01 0.00 0.00 55.36 54.11 2dmk s GLN 118 Cb 0.01 -0.29 0.91 0.00 -1.01 0.00 0.00 33.01 32.63 2dmk s GLN 118 CO 0.05 -0.03 1.35 -0.35 0.01 0.00 0.00 175.29 176.32 2dmk n PRO 119 N -0.12 0.46 -1.52 2.91 -0.04 -1.26 -4.82 135.00 130.60 2dmk n PRO 119 Ca -0.10 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 2dmk n PRO 119 Cb 0.61 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.07 2.11 -0.36 0.54 0.40 -1.26 -5.00 117.98 112.35 2dmk s PHE 120 Ca 0.22 1.58 -0.09 0.00 -0.60 0.00 0.00 56.93 58.05 2dmk s PHE 120 Cb 0.11 -3.47 0.04 0.00 0.51 0.00 0.00 43.02 40.20 2dmk s PHE 120 CO 0.19 -2.55 0.16 0.21 0.70 0.00 0.00 175.22 173.92 2dmk s LYS 121 N -3.83 2.71 0.04 0.44 2.20 -1.26 -5.08 119.74 114.95 2dmk s LYS 121 Ca 0.75 -1.15 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2dmk s LYS 121 Cb -0.29 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2dmk s LYS 121 CO 0.44 -0.70 -0.11 0.45 -0.36 0.00 0.00 175.35 175.07 2dmk s SER 122 N 1.50 4.30 0.00 1.43 0.15 -1.26 -5.07 113.70 114.75 2dmk s SER 122 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2dmk s SER 122 Cb -0.19 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2dmk s SER 122 CO 0.05 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2dmk n GLY 123 N 1.33 3.48 3.66 9.45 0.00 -1.26 -5.10 105.19 116.76 2dmk n GLY 123 Ca -0.15 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.71 4.20 -0.04 1.61 0.04 -1.26 -5.01 135.00 131.83 2dmk s PRO 124 Ca 0.00 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2dmk s PRO 124 Cb 0.00 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2dmk s PRO 124 CO 0.00 -0.80 0.13 0.45 0.04 0.00 0.00 177.00 176.82 2dmk s SER 125 N 2.87 6.09 0.34 6.66 0.15 -1.26 -5.10 113.70 123.46 2dmk s SER 125 Ca 0.67 0.30 -0.18 0.00 0.70 0.00 0.00 55.95 57.44 2dmk s SER 125 Cb -0.29 -1.87 0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2dmk s SER 125 CO 0.25 0.30 0.79 -0.44 1.20 0.00 0.00 173.24 175.34 2dmk s SER 126 N -1.62 -0.06 0.00 5.45 0.01 -1.26 -5.34 113.70 110.87 2dmk s SER 126 Ca 0.22 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2dmk s SER 126 Cb -0.12 0.80 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2dmk s SER 126 CO 0.13 -1.56 0.00 0.61 0.41 0.00 0.00 173.24 172.83