#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 0.22 -3.54 1.61 2.88 -1.26 -5.15 113.62 108.39 2dmk n SER 2 Ca 0.00 0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 2dmk n SER 2 Cb 0.00 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2dmk n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmk s SER 3 N -5.29 -0.34 0.00 -3.46 1.04 -1.26 -5.19 113.70 99.20 2dmk s SER 3 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dmk s SER 3 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2dmk s SER 3 CO 0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2dmk n GLY 4 N 0.09 0.78 3.68 7.32 0.00 -1.26 -5.19 105.19 110.60 2dmk n GLY 4 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.18 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 5 N 0.00 -0.06 0.17 1.61 1.04 -1.26 -5.16 113.70 110.04 2dmk s SER 5 Ca 0.00 -0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 2dmk s SER 5 Cb 0.00 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 2dmk s SER 5 CO 0.00 -0.36 0.67 -0.44 0.98 0.00 0.00 173.24 174.09 2dmk s SER 6 N -3.08 7.06 0.70 7.02 0.01 -1.26 -5.08 113.70 119.07 2dmk s SER 6 Ca 0.16 1.36 -0.02 0.00 1.31 0.00 0.00 55.95 58.75 2dmk s SER 6 Cb 0.04 -2.39 0.10 0.00 0.21 0.00 0.00 66.02 63.97 2dmk s SER 6 CO -0.03 0.12 0.97 -0.83 0.41 0.00 0.00 173.24 173.88 2dmk s GLY 7 N -1.48 1.77 -0.27 3.44 0.00 -1.26 -5.09 107.32 104.43 2dmk s GLY 7 Ca 0.38 -1.49 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 2dmk s GLY 7 CO 0.21 -1.00 0.04 1.85 0.00 0.00 0.00 173.10 174.20 2dmk s GLU 8 N -5.12 1.03 0.00 2.90 -6.30 -1.26 -5.08 118.70 104.86 2dmk s GLU 8 Ca 0.64 -1.01 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 2dmk s GLU 8 Cb -0.07 -2.31 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2dmk s GLU 8 CO 0.44 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2dmk n GLY 9 N 4.78 0.66 3.20 -1.50 0.00 -1.26 -5.15 105.19 105.91 2dmk n GLY 9 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2dmk n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 10 N 0.00 1.59 -0.27 0.99 1.02 -1.26 -5.04 118.68 115.70 2dmk s LEU 10 Ca 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 54.13 53.08 2dmk s LEU 10 Cb 0.00 0.56 0.35 0.00 0.02 0.00 0.00 46.19 47.12 2dmk s LEU 10 CO 0.00 -0.77 1.61 0.47 0.02 0.00 0.00 176.35 177.69 2dmk n ASP 11 N -0.11 4.03 -4.78 2.29 8.00 -1.26 -4.90 116.55 119.83 2dmk n ASP 11 Ca -0.07 -2.95 -0.36 0.00 0.71 0.00 0.00 54.79 52.12 2dmk n ASP 11 Cb 0.63 -0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.90 3.44 0.00 1.24 -0.85 -1.26 -4.96 117.35 113.06 2dmk s TYR 12 Ca 0.33 0.36 0.00 0.00 -0.52 0.00 0.00 57.07 57.24 2dmk s TYR 12 Cb 0.27 -1.99 0.00 0.00 0.38 0.00 0.00 41.96 40.62 2dmk s TYR 12 CO 0.05 0.50 0.08 -0.11 -1.52 0.00 0.00 175.55 174.56 2dmk n LEU 13 N 2.61 0.17 -0.21 -3.49 0.00 -1.26 -4.82 117.00 110.00 2dmk n LEU 13 Ca -0.18 -0.35 0.20 0.00 0.00 0.00 0.00 56.01 55.68 2dmk n LEU 13 Cb 0.54 0.00 0.37 0.00 0.00 0.00 0.00 43.42 44.33 2dmk n LEU 13 CO 0.33 0.04 0.67 1.07 0.00 0.00 0.00 177.39 179.50 2dmk n THR 14 N -0.36 -0.27 -3.97 1.96 5.66 -1.26 -4.19 114.28 111.85 2dmk n THR 14 Ca 0.00 1.31 -0.12 0.00 -3.05 0.00 0.00 64.05 62.19 2dmk n THR 14 Cb 0.04 -2.12 -0.13 0.00 -1.55 0.00 0.00 70.33 66.57 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 -5.01 0.16 0.01 1.79 0.00 -1.26 -3.77 121.76 113.69 2dmk s ALA 15 Ca -0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 2dmk s ALA 15 Cb 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 2dmk s ALA 15 CO 0.50 -0.02 1.44 -1.25 0.00 0.00 0.00 175.76 176.43 2dmk s PRO 16 N -0.48 4.27 0.28 0.00 0.04 -1.26 -4.96 135.00 132.90 2dmk s PRO 16 Ca -0.04 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 2dmk s PRO 16 Cb -0.03 -3.56 -0.14 0.00 0.04 0.00 0.00 34.50 30.81 2dmk s PRO 16 CO -0.00 -0.59 1.19 -1.71 0.04 0.00 0.00 177.00 175.92 2dmk n ASN 17 N 5.35 2.01 -4.71 6.66 5.15 -1.26 -4.35 115.26 124.11 2dmk n ASN 17 Ca 0.13 1.18 -0.42 0.00 -0.60 0.00 0.00 54.58 54.87 2dmk n ASN 17 Cb 0.43 -1.36 -0.03 0.00 -0.53 0.00 0.00 39.78 38.29 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2dmk s PRO 18 N -1.29 4.32 0.80 1.20 0.04 -1.26 -4.82 135.00 133.99 2dmk s PRO 18 Ca 0.61 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 2dmk s PRO 18 Cb -0.67 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 30.61 2dmk s PRO 18 CO 0.58 -0.46 1.09 -1.25 0.04 0.00 0.00 177.00 177.00 2dmk s PRO 19 N 1.41 2.03 -0.34 0.56 0.04 -1.26 -4.90 135.00 132.54 2dmk s PRO 19 Ca 0.64 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 19 Cb -0.35 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.38 2dmk s PRO 19 CO 0.29 -1.78 0.09 -1.12 0.04 0.00 0.00 177.00 174.52 2dmk s SER 20 N -3.40 5.09 -0.48 6.66 0.01 0.44 -4.80 113.70 117.22 2dmk s SER 20 Ca 0.62 -1.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.09 2dmk s SER 20 Cb -0.17 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 2dmk s SER 20 CO 0.56 -0.37 1.67 -0.63 0.41 0.00 0.00 173.24 174.89 2dmk s ILE 21 N 1.24 3.57 -0.08 1.44 1.01 -1.26 -0.61 121.20 126.52 2dmk s ILE 21 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 2dmk s ILE 21 Cb -0.21 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2dmk s ILE 21 CO -0.01 -0.80 1.01 -0.13 0.00 0.00 0.00 174.94 175.01 2dmk s ARG 22 N 5.95 4.46 0.04 2.79 1.81 0.20 -4.93 118.95 129.27 2dmk s ARG 22 Ca 0.67 1.41 0.14 0.00 -1.72 0.00 0.00 55.73 56.22 2dmk s ARG 22 Cb -0.15 -3.52 -0.17 0.00 -0.45 0.00 0.00 34.95 30.66 2dmk s ARG 22 CO 0.27 -0.25 0.85 0.93 -0.68 0.00 0.00 175.30 176.43 2dmk h GLU 23 N 7.03 0.00 0.00 3.54 5.08 -1.91 -2.87 114.58 125.45 2dmk h GLU 23 Ca -0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2dmk h GLU 23 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2dmk h GLU 23 CO 0.83 0.47 -0.37 1.05 -1.00 0.00 0.00 179.01 179.98 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.97 -3.19 114.58 115.86 2dmk h GLU 24 Ca -0.19 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.94 2dmk h GLU 24 Cb 1.77 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.97 2dmk h GLU 24 CO 0.07 0.37 -1.84 1.28 0.07 0.00 0.00 179.01 178.96 2dmk n LEU 25 N -3.39 0.70 -4.77 3.06 4.77 -1.25 -4.92 117.00 111.19 2dmk n LEU 25 Ca 0.01 0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 2dmk n LEU 25 Cb 0.56 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.86 2dmk n LEU 25 CO 0.37 0.41 0.81 0.00 -1.33 0.00 0.00 177.39 177.65 2dmk s THR 27 N -1.51 1.90 -0.07 0.00 -4.23 0.11 -4.92 115.64 106.93 2dmk s THR 27 Ca 0.59 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2dmk s THR 27 Cb -0.28 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 2dmk s THR 27 CO 0.35 -0.18 -0.24 0.00 -0.54 0.00 0.00 174.62 174.01 2dmk s ALA 28 N -1.64 2.20 0.27 3.99 0.00 -1.26 -1.13 121.76 124.19 2dmk s ALA 28 Ca 0.13 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2dmk s ALA 28 Cb -0.08 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2dmk s ALA 28 CO 0.06 0.39 -0.00 -1.12 0.00 0.00 0.00 175.76 175.10 2dmk s SER 29 N -0.08 2.23 0.00 0.00 0.01 0.27 -4.26 113.70 111.87 2dmk s SER 29 Ca -0.06 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2dmk s SER 29 Cb -0.14 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2dmk s SER 29 CO 0.05 -0.49 0.70 0.00 0.41 0.00 0.00 173.24 173.90 2dmk n HIS 30 N -0.54 0.00 -0.24 2.43 1.44 -1.26 -2.92 115.22 114.13 2dmk n HIS 30 Ca -0.04 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.70 2dmk n HIS 30 Cb 0.64 -0.30 0.08 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 -2.31 2.47 -4.35 4.39 8.00 -1.26 -2.58 116.55 120.91 2dmk n ASP 31 Ca 0.00 -2.19 -0.21 0.00 0.71 0.00 0.00 54.79 53.10 2dmk n ASP 31 Cb 0.00 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.33 1.88 -0.25 -3.53 -4.23 -1.15 -1.19 115.64 105.85 2dmk s THR 32 Ca 0.14 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 2dmk s THR 32 Cb 0.09 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 72.04 2dmk s THR 32 CO 0.06 -0.41 0.61 -0.63 -0.54 0.00 0.00 174.62 173.71 2dmk s ILE 33 N -2.39 -0.01 -0.28 2.99 1.01 -1.03 0.98 121.20 122.46 2dmk s ILE 33 Ca 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 2dmk s ILE 33 Cb -0.04 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2dmk s ILE 33 CO 0.08 0.01 0.04 -0.89 0.00 0.00 0.00 174.94 174.18 2dmk s THR 34 N 1.47 3.61 -0.23 2.92 2.01 -0.28 -0.94 115.64 124.20 2dmk s THR 34 Ca -0.09 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2dmk s THR 34 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2dmk s THR 34 CO -0.16 0.09 0.11 -0.69 -0.69 0.00 0.00 174.62 173.28 2dmk s VAL 35 N 1.44 4.86 -0.20 3.82 1.01 -1.25 -0.71 120.40 129.37 2dmk s VAL 35 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2dmk s VAL 35 Cb -0.17 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2dmk s VAL 35 CO 0.00 0.36 0.05 -1.00 0.00 0.00 0.00 175.10 174.51 2dmk s HIS 36 N 1.16 3.15 -0.09 5.22 3.76 -1.26 -3.23 115.29 123.99 2dmk s HIS 36 Ca 0.06 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2dmk s HIS 36 Cb -0.14 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 2dmk s HIS 36 CO 0.04 -0.08 -0.20 1.67 -0.85 0.00 0.00 174.74 175.33 2dmk s TRP 37 N 0.86 2.62 -0.15 1.40 -2.14 -1.07 -0.63 118.94 119.82 2dmk s TRP 37 Ca 0.03 -0.68 -0.03 0.00 2.66 0.00 0.00 56.10 58.09 2dmk s TRP 37 Cb -0.14 -1.70 -0.02 0.00 -3.10 0.00 0.00 33.47 28.51 2dmk s TRP 37 CO 0.02 -0.19 -0.07 -1.50 -2.66 0.00 0.00 176.95 172.56 2dmk s ILE 38 N 0.00 3.59 0.02 0.66 1.10 0.22 -4.84 121.20 121.95 2dmk s ILE 38 Ca -0.07 -0.46 0.06 0.00 -0.51 0.00 0.00 60.65 59.67 2dmk s ILE 38 Cb -0.15 -2.56 -0.02 0.00 0.15 0.00 0.00 42.46 39.88 2dmk s ILE 38 CO 0.05 0.49 -0.18 -0.55 -2.11 0.00 0.00 174.94 172.64 2dmk s SER 39 N 0.48 2.16 0.00 4.50 0.15 -1.26 -0.42 113.70 119.31 2dmk s SER 39 Ca -0.05 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.27 2dmk s SER 39 Cb -0.15 -0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.35 2dmk s SER 39 CO 0.03 0.17 1.27 -0.67 1.20 0.00 0.00 173.24 175.24 2dmk n ASP 40 N 2.22 0.00 -3.50 5.45 -0.08 -1.26 -4.62 116.55 114.76 2dmk n ASP 40 Ca -0.16 0.46 0.01 0.00 -1.51 0.00 0.00 54.79 53.59 2dmk n ASP 40 Cb 0.54 -0.47 -0.05 0.00 2.34 0.00 0.00 41.12 43.47 2dmk n ASP 40 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dmk s ASP 41 N -2.95 -0.25 -0.04 1.67 -1.08 -1.26 -5.04 116.67 107.72 2dmk s ASP 41 Ca 0.05 0.37 0.08 0.00 -0.52 0.00 0.00 52.55 52.53 2dmk s ASP 41 Cb 0.06 1.18 0.13 0.00 -1.46 0.00 0.00 42.92 42.83 2dmk s ASP 41 CO 0.16 -0.06 1.06 -1.84 0.52 0.00 0.00 175.17 175.01 2dmk n GLU 42 N 3.87 0.38 0.11 4.34 0.28 -1.26 -4.81 120.64 123.54 2dmk n GLU 42 Ca -0.14 -1.59 -0.20 0.00 -0.16 0.00 0.00 57.16 55.08 2dmk n GLU 42 Cb 0.56 -0.74 -0.14 0.00 1.43 0.00 0.00 31.44 32.56 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 0.15 0.77 0.02 -1.84 -1.00 -1.98 -3.34 116.94 109.72 2dmk h PHE 43 Ca -0.02 -0.53 -0.16 0.00 2.81 0.00 0.00 57.97 60.06 2dmk h PHE 43 Cb 1.34 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 40.87 2dmk h PHE 43 CO 0.11 1.40 -0.65 0.77 -1.61 0.00 0.00 178.31 178.34 2dmk h SER 44 N 0.15 0.53 -1.76 2.17 0.02 -2.00 -3.45 113.55 109.23 2dmk h SER 44 Ca -0.18 -0.79 -0.68 0.00 -0.84 0.00 0.00 61.79 59.30 2dmk h SER 44 Cb 2.00 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 64.40 2dmk h SER 44 CO 0.23 1.25 0.88 -0.38 -1.14 0.00 0.00 176.83 177.68 2dmk n ILE 45 N -4.19 0.31 -0.00 3.27 5.41 -1.26 -4.76 119.36 118.14 2dmk n ILE 45 Ca -0.11 -0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.50 2dmk n ILE 45 Cb 0.70 -1.37 0.07 0.00 -0.71 0.00 0.00 39.64 38.33 2dmk n ILE 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dmk h SER 46 N 7.26 0.62 -5.02 4.38 0.02 -1.81 -3.47 113.55 115.52 2dmk h SER 46 Ca -0.47 -0.31 0.09 0.00 -0.84 0.00 0.00 61.79 60.26 2dmk h SER 46 Cb 1.30 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 2dmk h SER 46 CO 0.92 1.01 0.35 -0.94 -1.14 0.00 0.00 176.83 177.04 2dmk s SER 47 N -6.90 -0.33 0.43 3.07 1.04 -1.23 -4.92 113.70 104.87 2dmk s SER 47 Ca -0.07 -0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.14 2dmk s SER 47 Cb 0.12 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2dmk s SER 47 CO 0.84 -0.98 0.26 -0.31 0.98 0.00 0.00 173.24 174.02 2dmk s TYR 48 N -3.53 2.53 0.04 5.02 2.02 0.14 -2.54 117.35 121.03 2dmk s TYR 48 Ca 0.08 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2dmk s TYR 48 Cb -0.02 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2dmk s TYR 48 CO -0.02 0.03 -0.17 -2.00 -1.57 0.00 0.00 175.55 171.82 2dmk s GLU 49 N -4.01 1.10 -0.11 -0.62 -6.30 0.93 -3.51 118.70 106.18 2dmk s GLU 49 Ca 0.42 -0.84 -0.01 0.00 -2.50 0.00 0.00 54.97 52.04 2dmk s GLU 49 Cb 0.01 -1.16 0.03 0.00 0.00 0.00 0.00 34.13 33.01 2dmk s GLU 49 CO 0.24 0.29 -0.06 -1.17 0.02 0.00 0.00 175.26 174.58 2dmk s LEU 50 N -1.18 1.13 -0.05 2.70 2.96 -1.25 -2.04 118.68 120.95 2dmk s LEU 50 Ca 0.04 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 2dmk s LEU 50 Cb -0.08 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 2dmk s LEU 50 CO 0.02 -0.14 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.59 2dmk s GLN 51 N 1.74 2.21 -0.08 1.98 -0.21 -0.83 -1.75 119.66 122.73 2dmk s GLN 51 Ca 0.05 -0.80 -0.14 0.00 0.02 0.00 0.00 55.36 54.49 2dmk s GLN 51 Cb -0.13 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.00 2dmk s GLN 51 CO -0.08 0.35 0.35 1.52 -2.12 0.00 0.00 175.29 175.31 2dmk s TYR 52 N -0.14 -0.31 -0.00 0.91 1.13 -1.20 -0.13 117.35 117.61 2dmk s TYR 52 Ca -0.02 0.66 -0.23 0.00 -1.41 0.00 0.00 57.07 56.06 2dmk s TYR 52 Cb -0.12 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 2dmk s TYR 52 CO 0.03 -0.30 0.52 -0.08 -2.51 0.00 0.00 175.55 173.20 2dmk s THR 53 N -0.57 0.03 -0.14 -3.49 -1.32 -1.16 -4.20 115.64 104.78 2dmk s THR 53 Ca -0.07 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 59.89 2dmk s THR 53 Cb -0.04 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2dmk s THR 53 CO 0.03 -0.13 1.57 -0.63 -2.21 0.00 0.00 174.62 173.25 2dmk s ILE 54 N -1.70 3.75 -0.48 5.08 1.01 -1.26 -2.19 121.20 125.42 2dmk s ILE 54 Ca -0.10 0.88 -0.17 0.00 0.00 0.00 0.00 60.65 61.27 2dmk s ILE 54 Cb -0.02 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 38.86 2dmk s ILE 54 CO 0.04 -0.17 0.47 0.12 0.00 0.00 0.00 174.94 175.39 2dmk s PHE 55 N 4.45 3.18 0.06 3.97 2.19 -1.22 -4.97 117.98 125.64 2dmk s PHE 55 Ca 0.69 -0.76 -0.03 0.00 0.33 0.00 0.00 56.93 57.17 2dmk s PHE 55 Cb -0.28 -3.24 -0.03 0.00 -1.31 0.00 0.00 43.02 38.16 2dmk s PHE 55 CO 0.27 -0.86 0.02 -0.08 1.83 0.00 0.00 175.22 176.40 2dmk s THR 56 N 1.98 0.20 -0.41 0.12 -1.32 -1.26 -4.54 115.64 110.41 2dmk s THR 56 Ca 0.08 -1.68 -0.37 0.00 -1.21 0.00 0.00 61.69 58.51 2dmk s THR 56 Cb -0.22 -1.48 -0.16 0.00 -1.51 0.00 0.00 72.50 69.13 2dmk s THR 56 CO 0.09 -0.93 1.47 0.61 -2.21 0.00 0.00 174.62 173.66 2dmk n GLY 57 N 0.07 0.05 3.21 6.08 0.00 -1.26 -4.91 105.19 108.43 2dmk n GLY 57 Ca -0.14 0.86 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 2dmk n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dmk s GLN 58 N 3.39 1.23 0.17 1.61 -2.07 -1.26 -5.06 119.66 117.68 2dmk s GLN 58 Ca 0.90 -1.65 -0.27 0.00 -1.82 0.00 0.00 55.36 52.52 2dmk s GLN 58 Cb -1.22 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 30.98 2dmk s GLN 58 CO 0.62 -0.40 1.56 0.00 -1.32 0.00 0.00 175.29 175.74 2dmk h ALA 59 N 2.59 -0.37 -0.92 2.60 0.00 -2.05 -3.43 119.26 117.69 2dmk h ALA 59 Ca -0.35 0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.86 2dmk h ALA 59 Cb 1.25 1.10 -0.26 0.00 0.00 0.00 0.00 17.79 19.88 2dmk h ALA 59 CO 0.52 -0.86 0.34 1.21 0.00 0.00 0.00 179.25 180.46 2dmk s ASN 60 N -5.26 -0.43 0.09 0.00 2.47 -1.26 -5.06 114.94 105.48 2dmk s ASN 60 Ca -0.14 0.62 -0.17 0.00 0.42 0.00 0.00 52.86 53.59 2dmk s ASN 60 Cb 0.13 1.44 -0.04 0.00 -1.45 0.00 0.00 41.25 41.33 2dmk s ASN 60 CO 0.65 -0.09 1.16 0.33 -3.72 0.00 0.00 177.10 175.44 2dmk n PHE 61 N 4.58 -0.25 -0.27 0.43 7.35 -1.26 -0.19 117.46 127.85 2dmk n PHE 61 Ca -0.10 0.70 -0.00 0.00 -0.76 0.00 0.00 57.45 57.28 2dmk n PHE 61 Cb 0.54 -0.52 0.03 0.00 0.35 0.00 0.00 39.48 39.88 2dmk n PHE 61 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2dmk n ILE 62 N -4.30 -0.37 -0.08 -2.13 2.08 -1.26 -0.55 119.36 112.75 2dmk n ILE 62 Ca 0.01 1.67 -0.05 0.00 0.56 0.00 0.00 62.75 64.94 2dmk n ILE 62 Cb 0.15 -2.22 -0.04 0.00 -0.75 0.00 0.00 39.64 36.78 2dmk n ILE 62 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 2dmk h SER 63 N 0.00 -0.79 0.05 4.38 0.87 -0.99 0.61 113.55 117.69 2dmk h SER 63 Ca 0.25 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 2dmk h SER 63 Cb 0.43 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2dmk h SER 63 CO -0.71 -0.15 -0.31 0.25 -0.53 0.00 0.00 176.83 175.38 2dmk h LEU 64 N -0.13 -0.92 -1.95 2.23 5.85 -0.78 0.04 115.31 119.66 2dmk h LEU 64 Ca 0.04 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.01 2dmk h LEU 64 Cb 0.22 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2dmk h LEU 64 CO -0.27 -0.39 0.49 0.22 -0.34 0.00 0.00 178.44 178.15 2dmk h TYR 65 N -0.49 0.00 -0.18 1.25 3.20 -0.49 -0.25 116.97 120.01 2dmk h TYR 65 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2dmk h TYR 65 Cb 0.55 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2dmk h TYR 65 CO -0.31 0.00 0.06 -0.97 -1.64 0.00 0.00 178.16 175.30 2dmk h ASN 66 N 0.00 0.27 -1.30 -2.11 -0.73 0.23 -3.13 115.58 108.80 2dmk h ASN 66 Ca 0.23 -0.20 -0.63 0.00 1.87 0.00 0.00 56.30 57.57 2dmk h ASN 66 Cb 1.20 -0.07 -0.18 0.00 0.27 0.00 0.00 38.32 39.54 2dmk h ASN 66 CO -0.00 0.40 1.15 -0.24 -0.37 0.00 0.00 177.43 178.37 2dmk n SER 67 N -4.81 7.16 0.24 1.15 2.88 -0.10 -4.69 113.62 115.45 2dmk n SER 67 Ca -0.04 -3.30 0.11 0.00 -1.33 0.00 0.00 58.87 54.30 2dmk n SER 67 Cb 0.15 -1.25 0.58 0.00 -0.75 0.00 0.00 64.21 62.93 2dmk n SER 67 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2dmk h VAL 68 N 2.20 0.00 -0.01 2.46 3.04 -1.61 0.20 116.25 122.54 2dmk h VAL 68 Ca 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.21 2dmk h VAL 68 Cb 0.48 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2dmk h VAL 68 CO 1.15 0.00 0.09 -0.78 -1.01 0.00 0.00 177.57 177.02 2dmk h ASP 69 N 0.00 0.00 0.46 3.17 3.58 -1.91 -0.62 116.42 121.11 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 0.58 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2dmk h ASP 69 CO 0.00 0.00 -1.59 -1.28 -2.88 0.00 0.00 179.24 173.49 2dmk h SER 70 N 0.00 0.27 -2.60 2.28 0.87 -1.32 -3.47 113.55 109.57 2dmk h SER 70 Ca 0.00 -0.43 -0.59 0.00 -1.23 0.00 0.00 61.79 59.54 2dmk h SER 70 Cb 0.18 -0.09 0.18 0.00 -0.44 0.00 0.00 62.40 62.22 2dmk h SER 70 CO -0.00 1.37 -0.68 0.79 -0.53 0.00 0.00 176.83 177.78 2dmk n TRP 71 N -3.36 -1.53 -3.45 2.24 7.02 -0.24 -4.94 117.44 113.19 2dmk n TRP 71 Ca -0.17 0.44 -0.37 0.00 -1.02 0.00 0.00 57.50 56.38 2dmk n TRP 71 Cb 1.04 -1.85 -0.06 0.00 -2.42 0.00 0.00 31.31 28.02 2dmk n TRP 71 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dmk s MET 72 N -1.70 3.96 0.05 -0.99 0.23 -1.26 -5.04 119.30 114.55 2dmk s MET 72 Ca 0.64 0.45 0.01 0.00 -1.03 0.00 0.00 55.69 55.77 2dmk s MET 72 Cb -0.46 -3.15 -0.03 0.00 -1.53 0.00 0.00 34.83 29.66 2dmk s MET 72 CO 0.59 0.63 -0.06 0.42 -2.03 0.00 0.00 175.02 174.57 2dmk s ILE 73 N -1.19 0.47 -0.41 3.16 1.09 -1.26 -3.26 121.20 119.81 2dmk s ILE 73 Ca 0.28 -1.28 0.01 0.00 -1.10 0.00 0.00 60.65 58.57 2dmk s ILE 73 Cb -0.17 -0.84 0.13 0.00 -1.06 0.00 0.00 42.46 40.53 2dmk s ILE 73 CO 0.16 -0.55 0.20 -0.69 -0.10 0.00 0.00 174.94 173.97 2dmk s VAL 74 N -2.04 1.26 0.98 2.92 1.01 -0.72 -4.96 120.40 118.85 2dmk s VAL 74 Ca -0.05 -2.29 -0.16 0.00 0.00 0.00 0.00 61.98 59.48 2dmk s VAL 74 Cb -0.06 -1.90 0.24 0.00 0.00 0.00 0.00 36.38 34.67 2dmk s VAL 74 CO -0.02 -0.85 0.87 -0.81 0.00 0.00 0.00 175.10 174.29 2dmk n PRO 75 N 3.84 -2.71 -3.24 2.72 -0.04 -1.26 -3.81 135.00 130.49 2dmk n PRO 75 Ca 0.07 -1.39 -0.16 0.00 -0.04 0.00 0.00 63.50 61.98 2dmk n PRO 75 Cb 0.36 -1.30 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.49 -3.27 -4.46 3.54 3.02 -1.26 -5.01 115.26 103.34 2dmk n ASN 76 Ca 0.12 -0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 53.85 2dmk n ASN 76 Cb 0.47 -4.22 -0.13 0.00 -0.61 0.00 0.00 39.78 35.29 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 -3.28 3.87 -0.27 2.41 1.01 -1.23 -4.95 121.20 118.75 2dmk s ILE 77 Ca 0.17 -0.35 0.19 0.00 0.00 0.00 0.00 60.65 60.65 2dmk s ILE 77 Cb -0.07 -2.73 0.49 0.00 0.01 0.00 0.00 42.46 40.16 2dmk s ILE 77 CO 0.59 0.45 1.12 0.29 0.00 0.00 0.00 174.94 177.40 2dmk n LYS 78 N 4.00 2.17 -4.25 2.79 4.01 -1.26 0.29 118.16 125.91 2dmk n LYS 78 Ca -0.17 -3.67 -0.14 0.00 -0.51 0.00 0.00 58.31 53.82 2dmk n LYS 78 Cb 0.52 -1.76 -0.10 0.00 -0.51 0.00 0.00 35.03 33.18 2dmk n LYS 78 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2dmk s GLN 79 N -3.72 1.19 -0.05 1.97 -2.07 -1.26 -5.04 119.66 110.69 2dmk s GLN 79 Ca 0.33 -1.60 0.14 0.00 -1.82 0.00 0.00 55.36 52.41 2dmk s GLN 79 Cb 0.35 -0.19 0.48 0.00 -1.09 0.00 0.00 33.01 32.56 2dmk s GLN 79 CO -0.02 -0.21 1.36 0.09 -1.32 0.00 0.00 175.29 175.20 2dmk n ASN 80 N -0.30 3.15 -3.48 12.60 4.13 -1.26 -4.82 115.26 125.28 2dmk n ASN 80 Ca -0.04 -2.19 0.01 0.00 1.68 0.00 0.00 54.58 54.04 2dmk n ASN 80 Cb 0.64 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 38.41 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 -1.58 -0.51 -0.25 3.10 -3.43 -1.26 -2.61 115.29 108.74 2dmk s HIS 81 Ca 0.35 0.94 -0.01 0.00 -0.80 0.00 0.00 55.06 55.54 2dmk s HIS 81 Cb 0.21 0.31 0.03 0.00 -1.43 0.00 0.00 32.58 31.70 2dmk s HIS 81 CO 0.19 -0.26 -0.07 -0.47 -2.00 0.00 0.00 174.74 172.14 2dmk s TYR 82 N 1.91 3.08 -0.36 0.38 6.14 -1.20 -4.96 117.35 122.35 2dmk s TYR 82 Ca -0.05 -1.67 -0.29 0.00 0.64 0.00 0.00 57.07 55.70 2dmk s TYR 82 Cb -0.04 -2.04 0.01 0.00 0.42 0.00 0.00 41.96 40.31 2dmk s TYR 82 CO -0.16 -0.76 1.26 0.99 0.64 0.00 0.00 175.55 177.52 2dmk s THR 83 N 1.29 4.16 -0.01 4.34 2.01 -1.26 -3.79 115.64 122.38 2dmk s THR 83 Ca -0.01 1.28 -0.25 0.00 0.31 0.00 0.00 61.69 63.01 2dmk s THR 83 Cb -0.17 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2dmk s THR 83 CO -0.05 -0.63 0.78 -0.69 -0.69 0.00 0.00 174.62 173.35 2dmk s VAL 84 N 4.48 4.89 -0.09 3.82 1.01 -0.12 -4.93 120.40 129.47 2dmk s VAL 84 Ca 0.54 1.64 0.04 0.00 0.00 0.00 0.00 61.98 64.20 2dmk s VAL 84 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2dmk s VAL 84 CO 0.25 0.27 -0.22 -1.00 0.00 0.00 0.00 175.10 174.41 2dmk s HIS 85 N 0.52 2.33 0.00 5.22 3.76 -1.26 -2.48 115.29 123.39 2dmk s HIS 85 Ca 0.41 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2dmk s HIS 85 Cb -0.19 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.92 2dmk s HIS 85 CO 0.22 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 2dmk n GLY 86 N 3.56 0.80 2.08 -2.22 0.00 -1.06 -5.06 105.19 103.29 2dmk n GLY 86 Ca -0.20 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.00 -4.49 0.99 4.77 -0.33 -5.05 117.00 112.88 2dmk n LEU 87 Ca 0.00 -1.81 -0.33 0.00 -0.03 0.00 0.00 56.01 53.84 2dmk n LEU 87 Cb 0.00 0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 2dmk n LEU 87 CO 0.00 -0.27 -0.43 -1.10 -1.33 0.00 0.00 177.39 174.26 2dmk s GLN 88 N -3.06 2.63 0.55 3.23 -0.21 -1.26 -4.50 119.66 117.03 2dmk s GLN 88 Ca 0.01 -0.66 -0.21 0.00 0.02 0.00 0.00 55.36 54.52 2dmk s GLN 88 Cb -0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 2dmk s GLN 88 CO 0.01 0.60 1.28 -1.54 -2.12 0.00 0.00 175.29 173.52 2dmk s SER 89 N -0.66 5.37 -1.29 5.90 1.04 -1.06 -3.35 113.70 119.65 2dmk s SER 89 Ca 0.10 2.58 -0.13 0.00 0.48 0.00 0.00 55.95 58.99 2dmk s SER 89 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2dmk s SER 89 CO 0.01 -1.48 0.57 0.61 0.98 0.00 0.00 173.24 173.93 2dmk n GLY 90 N 0.64 -0.59 2.92 7.32 0.00 -0.51 -4.98 105.19 110.00 2dmk n GLY 90 Ca 0.11 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.74 0.01 0.63 2.61 2.01 -1.21 -4.94 115.64 111.00 2dmk s THR 91 Ca 0.25 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 2dmk s THR 91 Cb -0.10 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 2dmk s THR 91 CO 0.90 -0.05 1.08 -0.13 -0.69 0.00 0.00 174.62 175.73 2dmk s ARG 92 N -0.15 3.06 -0.26 4.92 0.52 -1.26 -3.01 118.95 122.78 2dmk s ARG 92 Ca -0.02 1.30 -0.08 0.00 -0.52 0.00 0.00 55.73 56.41 2dmk s ARG 92 Cb -0.01 -1.99 0.12 0.00 0.52 0.00 0.00 34.95 33.58 2dmk s ARG 92 CO 0.00 -1.03 0.56 0.71 0.02 0.00 0.00 175.30 175.56 2dmk s TYR 93 N -2.40 -1.16 -0.33 -0.53 1.51 -0.66 -3.39 117.35 110.39 2dmk s TYR 93 Ca 0.65 1.98 -0.20 0.00 -1.01 0.00 0.00 57.07 58.50 2dmk s TYR 93 Cb -0.18 0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 42.26 2dmk s TYR 93 CO 0.39 -0.62 0.59 0.42 -1.11 0.00 0.00 175.55 175.23 2dmk s ILE 94 N 2.79 4.96 -0.13 2.71 1.01 -0.93 -1.09 121.20 130.52 2dmk s ILE 94 Ca -0.02 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 2dmk s ILE 94 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2dmk s ILE 94 CO -0.17 -0.18 0.15 -0.36 0.00 0.00 0.00 174.94 174.38 2dmk s PHE 95 N 2.56 3.57 -0.23 3.97 0.40 -0.57 -2.97 117.98 124.70 2dmk s PHE 95 Ca 0.23 0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 57.03 2dmk s PHE 95 Cb -0.15 -1.99 0.08 0.00 0.51 0.00 0.00 43.02 41.47 2dmk s PHE 95 CO 0.13 0.66 0.10 0.42 0.70 0.00 0.00 175.22 177.23 2dmk s ILE 96 N -0.80 0.03 0.07 0.64 1.01 0.82 -0.99 121.20 121.97 2dmk s ILE 96 Ca 0.14 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2dmk s ILE 96 Cb -0.12 -0.85 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 2dmk s ILE 96 CO 0.03 -0.49 0.60 -0.69 0.00 0.00 0.00 174.94 174.39 2dmk s VAL 97 N 2.07 4.72 -0.05 2.92 1.01 -1.26 -1.97 120.40 127.84 2dmk s VAL 97 Ca 0.05 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.33 2dmk s VAL 97 Cb -0.16 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2dmk s VAL 97 CO -0.22 0.53 -0.07 -0.75 0.00 0.00 0.00 175.10 174.59 2dmk s LYS 98 N -0.98 1.15 -0.10 2.72 2.20 -0.87 -0.92 119.74 122.94 2dmk s LYS 98 Ca 0.30 -0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.51 2dmk s LYS 98 Cb -0.20 -1.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.04 2dmk s LYS 98 CO 0.20 -0.03 0.45 0.00 -0.36 0.00 0.00 175.35 175.60 2dmk s ALA 99 N 0.79 3.52 -0.00 3.13 0.00 -1.05 -0.05 121.76 128.09 2dmk s ALA 99 Ca -0.13 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2dmk s ALA 99 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2dmk s ALA 99 CO 0.02 0.07 -0.26 0.42 0.00 0.00 0.00 175.76 176.02 2dmk s ILE 100 N 0.37 2.03 0.38 0.00 1.09 -1.05 -1.83 121.20 122.18 2dmk s ILE 100 Ca 0.25 -1.16 -0.07 0.00 -1.10 0.00 0.00 60.65 58.57 2dmk s ILE 100 Cb -0.15 -1.70 0.03 0.00 -1.06 0.00 0.00 42.46 39.58 2dmk s ILE 100 CO 0.10 0.51 0.61 0.54 -0.10 0.00 0.00 174.94 176.61 2dmk s ASN 101 N -0.76 0.68 0.42 3.58 4.22 -0.25 -2.57 114.94 120.27 2dmk s ASN 101 Ca 0.10 -1.42 0.16 0.00 -2.14 0.00 0.00 52.86 49.55 2dmk s ASN 101 Cb -0.10 0.76 1.04 0.00 1.28 0.00 0.00 41.25 44.23 2dmk s ASN 101 CO -0.00 -1.49 1.91 -0.61 -2.04 0.00 0.00 177.10 174.86 2dmk h GLN 102 N 2.04 0.42 0.00 3.55 5.75 -1.97 -3.08 115.11 121.82 2dmk h GLN 102 Ca -0.30 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2dmk h GLN 102 Cb 1.24 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2dmk h GLN 102 CO 0.40 0.28 0.00 0.00 -2.65 0.00 0.00 178.83 176.86 2dmk n ALA 103 N -2.52 -0.22 -2.36 3.38 0.00 -1.26 -5.07 120.51 112.46 2dmk n ALA 103 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2dmk n ALA 103 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.54 3.28 3.13 0.00 0.00 -1.17 -4.92 105.19 106.05 2dmk n GLY 104 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 0.11 -0.16 1.61 1.04 -1.26 -1.09 113.70 115.95 2dmk s SER 105 Ca 0.00 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 2dmk s SER 105 Cb 0.00 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.42 2dmk s SER 105 CO 0.00 -0.49 0.12 -0.60 0.98 0.00 0.00 173.24 173.25 2dmk s ARG 106 N -2.30 0.08 -0.03 4.02 6.06 -0.76 -4.77 118.95 121.23 2dmk s ARG 106 Ca -0.07 0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 52.91 2dmk s ARG 106 Cb -0.03 -1.54 -0.03 0.00 0.06 0.00 0.00 34.95 33.41 2dmk s ARG 106 CO -0.03 -0.63 0.92 0.54 -2.50 0.00 0.00 175.30 173.60 2dmk s ASN 107 N 2.19 7.26 1.04 -2.12 4.22 -1.26 -2.53 114.94 123.73 2dmk s ASN 107 Ca 0.03 1.53 -0.17 0.00 -2.14 0.00 0.00 52.86 52.11 2dmk s ASN 107 Cb -0.16 -2.53 0.23 0.00 1.28 0.00 0.00 41.25 40.08 2dmk s ASN 107 CO -0.09 -0.26 1.29 -0.55 -2.04 0.00 0.00 177.10 175.45 2dmk s SER 108 N 0.98 2.45 0.49 3.54 0.15 -0.10 -5.00 113.70 116.22 2dmk s SER 108 Ca 0.48 0.28 -0.19 0.00 0.70 0.00 0.00 55.95 57.22 2dmk s SER 108 Cb -0.20 -0.31 -0.08 0.00 -1.71 0.00 0.00 66.02 63.72 2dmk s SER 108 CO 0.24 -3.15 1.02 -1.83 1.20 0.00 0.00 173.24 170.72 2dmk s GLU 109 N -5.83 3.82 -0.26 5.44 -1.05 -1.26 -4.76 118.70 114.81 2dmk s GLU 109 Ca 0.75 1.25 -0.29 0.00 -0.15 0.00 0.00 54.97 56.53 2dmk s GLU 109 Cb -0.04 -2.11 -0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2dmk s GLU 109 CO 0.54 -0.40 1.63 -1.25 0.95 0.00 0.00 175.26 176.74 2dmk s PRO 110 N -3.43 3.69 -0.49 -4.83 0.04 -1.26 -4.71 135.00 124.01 2dmk s PRO 110 Ca 0.65 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 2dmk s PRO 110 Cb -0.14 -4.06 0.09 0.00 0.04 0.00 0.00 34.50 30.42 2dmk s PRO 110 CO 0.22 -1.42 0.45 0.99 0.04 0.00 0.00 177.00 177.28 2dmk s THR 111 N 5.54 5.18 0.10 1.26 2.01 -0.17 -4.91 115.64 124.65 2dmk s THR 111 Ca 0.72 -1.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 2dmk s THR 111 Cb -0.24 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.01 2dmk s THR 111 CO 0.30 -0.68 1.23 -0.13 -0.69 0.00 0.00 174.62 174.66 2dmk s ARG 112 N 1.75 4.42 0.30 4.92 0.52 -1.26 -1.51 118.95 128.10 2dmk s ARG 112 Ca 0.05 1.85 0.04 0.00 -0.52 0.00 0.00 55.73 57.15 2dmk s ARG 112 Cb -0.25 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 2dmk s ARG 112 CO 0.06 -0.25 0.04 -0.51 0.02 0.00 0.00 175.30 174.66 2dmk s LEU 113 N 0.79 2.19 -0.02 2.53 1.43 -0.25 -4.98 118.68 120.37 2dmk s LEU 113 Ca 0.59 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2dmk s LEU 113 Cb -0.32 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.55 2dmk s LEU 113 CO 0.31 -0.57 0.01 -0.54 0.23 0.00 0.00 176.35 175.79 2dmk s LYS 114 N -3.88 0.13 0.74 1.70 1.02 -1.26 -1.66 119.74 116.53 2dmk s LYS 114 Ca 0.35 0.10 -0.12 0.00 0.02 0.00 0.00 55.97 56.32 2dmk s LYS 114 Cb 0.08 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 2dmk s LYS 114 CO 0.14 -0.12 1.12 0.95 -0.92 0.00 0.00 175.35 176.52 2dmk s THR 115 N 0.87 3.09 0.84 2.17 -4.23 -1.16 -4.66 115.64 112.55 2dmk s THR 115 Ca -0.08 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 2dmk s THR 115 Cb -0.11 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.49 2dmk s THR 115 CO -0.02 -0.46 1.14 0.20 -0.54 0.00 0.00 174.62 174.94 2dmk s ASN 116 N -4.39 4.14 0.00 3.99 0.01 -1.25 -4.17 114.94 113.27 2dmk s ASN 116 Ca 0.59 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 2dmk s ASN 116 Cb -0.11 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.98 2dmk s ASN 116 CO 0.51 -2.15 0.95 -1.20 -1.51 0.00 0.00 177.10 173.69 2dmk n SER 117 N -3.51 0.00 -4.21 -1.22 7.64 -1.26 -1.42 113.62 109.64 2dmk n SER 117 Ca 0.07 0.95 -0.12 0.00 1.01 0.00 0.00 58.87 60.77 2dmk n SER 117 Cb 0.59 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.78 0.98 0.52 1.43 1.11 -1.26 -3.96 119.66 115.70 2dmk s GLN 118 Ca 0.00 -1.44 0.31 0.00 0.01 0.00 0.00 55.36 54.24 2dmk s GLN 118 Cb 0.00 -0.25 1.28 0.00 -1.01 0.00 0.00 33.01 33.03 2dmk s GLN 118 CO 0.00 -0.07 1.96 -1.00 0.01 0.00 0.00 175.29 176.19 2dmk h PRO 119 N 2.83 0.00 -4.91 2.91 0.13 -1.95 -3.42 132.00 127.58 2dmk h PRO 119 Ca -0.36 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.15 2dmk h PRO 119 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2dmk h PRO 119 CO 0.64 0.08 -0.85 0.12 -0.23 0.00 0.00 178.00 177.75 2dmk s PHE 120 N -3.73 2.29 -0.08 1.56 5.36 -1.26 -5.03 117.98 117.09 2dmk s PHE 120 Ca 0.00 -1.15 -0.05 0.00 -0.96 0.00 0.00 56.93 54.78 2dmk s PHE 120 Cb 0.10 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 41.13 2dmk s PHE 120 CO 0.57 -0.57 0.12 0.21 -1.46 0.00 0.00 175.22 174.09 2dmk s LYS 121 N 1.01 3.32 -0.43 10.12 2.47 -1.26 -5.08 119.74 129.90 2dmk s LYS 121 Ca -0.05 -0.25 0.03 0.00 -1.56 0.00 0.00 55.97 54.15 2dmk s LYS 121 Cb -0.15 -3.07 0.12 0.00 -1.46 0.00 0.00 37.83 33.27 2dmk s LYS 121 CO -0.04 0.73 0.16 -1.12 0.16 0.00 0.00 175.35 175.25 2dmk s SER 122 N -1.27 4.61 -0.31 1.43 0.01 -1.26 -5.02 113.70 111.89 2dmk s SER 122 Ca 0.18 -2.55 0.05 0.00 1.31 0.00 0.00 55.95 54.94 2dmk s SER 122 Cb -0.12 -1.65 0.20 0.00 0.21 0.00 0.00 66.02 64.65 2dmk s SER 122 CO 0.08 -0.32 0.63 -0.83 0.41 0.00 0.00 173.24 173.20 2dmk s GLY 123 N 0.41 -1.26 -0.76 3.44 0.00 -1.26 -5.10 107.32 102.80 2dmk s GLY 123 Ca 0.14 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.56 2dmk s GLY 123 CO -0.04 3.71 1.90 2.56 0.00 0.00 0.00 173.10 181.24 2dmk s PRO 124 N 2.64 2.59 0.00 2.90 0.04 -1.26 -4.95 135.00 136.96 2dmk s PRO 124 Ca 0.12 0.16 0.08 0.00 0.04 0.00 0.00 61.00 61.40 2dmk s PRO 124 Cb -0.08 -4.72 -0.02 0.00 0.04 0.00 0.00 34.50 29.71 2dmk s PRO 124 CO -0.22 -3.05 -0.25 0.45 0.04 0.00 0.00 177.00 173.97 2dmk s SER 125 N 8.07 2.91 -0.03 6.66 0.15 -1.26 -5.13 113.70 125.07 2dmk s SER 125 Ca 0.69 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dmk s SER 125 Cb -0.10 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 2dmk s SER 125 CO 0.10 0.28 0.02 -0.44 1.20 0.00 0.00 173.24 174.39 2dmk s SER 126 N -0.80 0.59 0.00 5.45 0.01 -1.26 -5.31 113.70 112.38 2dmk s SER 126 Ca 0.10 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2dmk s SER 126 Cb -0.10 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2dmk s SER 126 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12