#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 5.73 -0.33 1.61 2.88 -1.26 -4.84 113.62 117.40 2dmk n SER 2 Ca 0.00 -3.76 0.05 0.00 -1.33 0.00 0.00 58.87 53.83 2dmk n SER 2 Cb 0.00 -0.57 0.13 0.00 -0.75 0.00 0.00 64.21 63.02 2dmk n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dmk n SER 3 N -0.69 -0.34 0.00 -3.46 3.41 -1.26 -4.91 113.62 106.36 2dmk n SER 3 Ca 0.48 1.60 0.00 0.00 -0.26 0.00 0.00 58.87 60.69 2dmk n SER 3 Cb 0.77 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.58 0.54 3.58 5.00 0.00 -1.26 -4.99 105.19 106.48 2dmk n GLY 4 Ca 0.15 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.00 5.26 0.30 1.61 1.04 -1.26 -4.73 113.70 111.93 2dmk s SER 5 Ca 0.00 -1.67 0.01 0.00 0.48 0.00 0.00 55.95 54.77 2dmk s SER 5 Cb 0.00 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 64.02 2dmk s SER 5 CO 0.00 -2.82 1.86 0.77 0.98 0.00 0.00 173.24 174.03 2dmk h SER 6 N 9.61 0.67 0.00 7.02 4.64 -2.00 -3.49 113.55 130.01 2dmk h SER 6 Ca 0.23 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2dmk h SER 6 Cb 0.94 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2dmk h SER 6 CO 1.25 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 178.50 2dmk n GLY 7 N -0.91 0.23 3.31 -0.77 0.00 -1.26 -5.01 105.19 100.77 2dmk n GLY 7 Ca 0.03 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 44.01 2dmk n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmk s GLU 8 N 0.00 0.52 0.61 1.61 2.02 -1.26 -5.17 118.70 117.03 2dmk s GLU 8 Ca 0.00 1.11 -0.10 0.00 0.02 0.00 0.00 54.97 56.00 2dmk s GLU 8 Cb 0.00 0.53 0.15 0.00 0.10 0.00 0.00 34.13 34.91 2dmk s GLU 8 CO 0.00 -0.44 0.66 0.41 0.02 0.00 0.00 175.26 175.91 2dmk n GLY 9 N 5.43 -2.02 2.41 -1.39 0.00 -1.26 -5.10 105.19 103.26 2dmk n GLY 9 Ca -0.06 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 2dmk n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 10 N 0.00 0.00 -1.31 0.99 7.99 -1.26 -5.01 117.00 118.40 2dmk n LEU 10 Ca 0.09 -2.10 -0.05 0.00 -0.01 0.00 0.00 56.01 53.93 2dmk n LEU 10 Cb 0.32 0.23 0.03 0.00 -0.11 0.00 0.00 43.42 43.89 2dmk n LEU 10 CO 0.23 -0.30 0.72 0.47 -1.51 0.00 0.00 177.39 176.99 2dmk n ASP 11 N -1.22 3.49 -4.69 -1.43 8.00 -1.26 -4.85 116.55 114.59 2dmk n ASP 11 Ca -0.14 -2.38 -0.35 0.00 0.71 0.00 0.00 54.79 52.63 2dmk n ASP 11 Cb 0.43 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.70 3.27 0.00 1.24 -0.85 -1.26 -4.96 117.35 114.09 2dmk s TYR 12 Ca 0.12 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.85 2dmk s TYR 12 Cb 0.10 -1.93 0.00 0.00 0.38 0.00 0.00 41.96 40.51 2dmk s TYR 12 CO 0.02 0.37 0.07 -0.11 -1.52 0.00 0.00 175.55 174.38 2dmk n LEU 13 N 2.71 0.15 -0.47 -3.49 0.00 -1.26 -4.77 117.00 109.85 2dmk n LEU 13 Ca -0.18 -0.37 0.39 0.00 0.00 0.00 0.00 56.01 55.85 2dmk n LEU 13 Cb 0.53 0.00 0.60 0.00 0.00 0.00 0.00 43.42 44.56 2dmk n LEU 13 CO 0.32 0.04 1.23 1.07 0.00 0.00 0.00 177.39 180.05 2dmk n THR 14 N -0.46 0.00 -3.84 1.96 5.66 -1.26 -4.17 114.28 112.18 2dmk n THR 14 Ca 0.00 1.23 -0.12 0.00 -3.05 0.00 0.00 64.05 62.11 2dmk n THR 14 Cb 0.02 -2.10 -0.12 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 -4.45 -0.29 0.10 1.79 0.00 -1.26 -3.94 121.76 113.71 2dmk s ALA 15 Ca -0.04 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2dmk s ALA 15 Cb 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 2dmk s ALA 15 CO 0.65 -0.08 1.37 -1.25 0.00 0.00 0.00 175.76 176.46 2dmk s PRO 16 N -0.13 4.33 0.16 0.00 0.04 -1.26 -4.94 135.00 133.21 2dmk s PRO 16 Ca -0.02 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 62.72 2dmk s PRO 16 Cb -0.02 -3.28 -0.16 0.00 0.04 0.00 0.00 34.50 31.09 2dmk s PRO 16 CO 0.00 -0.42 1.14 0.27 0.04 0.00 0.00 177.00 178.03 2dmk n ASN 17 N 4.02 1.19 -4.68 6.66 6.94 -1.26 -4.36 115.26 123.77 2dmk n ASN 17 Ca 0.11 1.14 -0.42 0.00 -0.02 0.00 0.00 54.58 55.39 2dmk n ASN 17 Cb 0.43 -1.19 -0.03 0.00 -2.36 0.00 0.00 39.78 36.63 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2dmk s PRO 18 N -0.34 4.24 0.45 -0.53 0.04 -1.26 -4.81 135.00 132.80 2dmk s PRO 18 Ca 0.74 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.57 2dmk s PRO 18 Cb -0.88 -3.69 -0.07 0.00 0.04 0.00 0.00 34.50 29.89 2dmk s PRO 18 CO 0.52 -0.67 1.17 -1.25 0.04 0.00 0.00 177.00 176.81 2dmk s PRO 19 N 2.94 3.79 -0.39 0.56 0.04 -1.26 -4.99 135.00 135.68 2dmk s PRO 19 Ca 0.66 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 2dmk s PRO 19 Cb -0.32 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 31.85 2dmk s PRO 19 CO 0.26 -0.53 0.20 -1.12 0.04 0.00 0.00 177.00 175.85 2dmk s SER 20 N -1.34 5.55 -0.21 6.66 0.01 -0.66 -4.75 113.70 118.97 2dmk s SER 20 Ca 0.63 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.29 2dmk s SER 20 Cb -0.29 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2dmk s SER 20 CO 0.35 -0.44 1.67 -0.63 0.41 0.00 0.00 173.24 174.59 2dmk s ILE 21 N 1.44 3.62 -0.58 1.44 1.01 -1.26 -1.08 121.20 125.80 2dmk s ILE 21 Ca 0.02 0.70 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 2dmk s ILE 21 Cb -0.21 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2dmk s ILE 21 CO 0.03 -0.27 1.03 -0.13 0.00 0.00 0.00 174.94 175.61 2dmk s ARG 22 N 4.77 3.36 0.20 2.79 1.81 0.12 -4.89 118.95 127.11 2dmk s ARG 22 Ca 0.74 -0.15 -0.04 0.00 -1.72 0.00 0.00 55.73 54.55 2dmk s ARG 22 Cb -0.26 -4.06 0.13 0.00 -0.45 0.00 0.00 34.95 30.31 2dmk s ARG 22 CO 0.30 -1.60 1.55 0.93 -0.68 0.00 0.00 175.30 175.80 2dmk h GLU 23 N 9.43 0.68 -0.80 3.54 5.08 -1.93 -1.28 114.58 129.31 2dmk h GLU 23 Ca -0.26 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 57.79 2dmk h GLU 23 Cb 1.07 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2dmk h GLU 23 CO 1.13 0.97 0.53 1.05 -1.00 0.00 0.00 179.01 181.68 2dmk h GLU 24 N 0.56 0.91 0.00 2.33 4.11 -1.96 -1.86 114.58 118.66 2dmk h GLU 24 Ca 0.04 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 2dmk h GLU 24 Cb 0.94 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2dmk h GLU 24 CO 0.09 0.60 -1.07 -0.07 0.07 0.00 0.00 179.01 178.63 2dmk h LEU 25 N 0.94 0.00 -9.91 3.06 3.38 -1.90 -3.47 115.31 107.41 2dmk h LEU 25 Ca 0.33 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.78 2dmk h LEU 25 Cb 0.13 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.09 2dmk h LEU 25 CO -0.11 0.73 -0.38 0.00 0.09 0.00 0.00 178.44 178.77 2dmk s THR 27 N -2.45 -0.01 -0.07 0.00 -4.23 -0.59 -4.99 115.64 103.30 2dmk s THR 27 Ca 0.59 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2dmk s THR 27 Cb -0.21 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 2dmk s THR 27 CO 0.65 0.02 -0.13 0.00 -0.54 0.00 0.00 174.62 174.62 2dmk s ALA 28 N 0.43 2.70 0.27 3.99 0.00 -1.26 -1.16 121.76 126.72 2dmk s ALA 28 Ca -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2dmk s ALA 28 Cb -0.04 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 2dmk s ALA 28 CO -0.02 0.49 0.01 -1.12 0.00 0.00 0.00 175.76 175.12 2dmk s SER 29 N -0.51 2.11 0.09 0.00 0.01 0.33 -4.44 113.70 111.29 2dmk s SER 29 Ca 0.07 -1.27 -0.19 0.00 1.31 0.00 0.00 55.95 55.87 2dmk s SER 29 Cb -0.12 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 2dmk s SER 29 CO 0.02 -0.53 1.32 1.12 0.41 0.00 0.00 173.24 175.58 2dmk h HIS 30 N 2.32 -1.09 -0.38 2.43 2.07 -1.86 -3.07 115.15 115.56 2dmk h HIS 30 Ca -0.39 0.07 -0.29 0.00 -2.85 0.00 0.00 60.37 56.91 2dmk h HIS 30 Cb 1.23 0.54 -0.28 0.00 2.57 0.00 0.00 27.41 31.47 2dmk h HIS 30 CO 0.59 -0.25 -0.78 -0.25 -3.07 0.00 0.00 177.93 174.17 2dmk n ASP 31 N -4.33 3.01 -3.57 3.10 9.92 -1.26 -2.39 116.55 121.03 2dmk n ASP 31 Ca -0.00 -3.39 -0.14 0.00 -0.53 0.00 0.00 54.79 50.73 2dmk n ASP 31 Cb 0.17 -0.42 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 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 -3.57 0.03 -0.21 -3.53 2.01 -1.16 -0.94 115.64 108.27 2dmk s THR 32 Ca 0.42 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.05 2dmk s THR 32 Cb 0.38 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.98 2dmk s THR 32 CO -0.03 -0.13 0.52 -0.63 -0.69 0.00 0.00 174.62 173.65 2dmk s ILE 33 N -2.44 -0.01 -0.27 1.82 1.01 -0.85 0.12 121.20 120.57 2dmk s ILE 33 Ca -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2dmk s ILE 33 Cb -0.01 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.74 2dmk s ILE 33 CO -0.02 0.02 -0.02 -0.89 0.00 0.00 0.00 174.94 174.03 2dmk s THR 34 N 1.32 3.09 -0.18 2.92 2.01 -0.31 -0.85 115.64 123.63 2dmk s THR 34 Ca -0.08 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 2dmk s THR 34 Cb -0.07 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2dmk s THR 34 CO -0.13 0.08 0.20 -0.69 -0.69 0.00 0.00 174.62 173.39 2dmk s VAL 35 N 1.33 5.37 -0.20 3.82 1.01 -1.22 -1.54 120.40 128.97 2dmk s VAL 35 Ca -0.01 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 2dmk s VAL 35 Cb -0.18 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2dmk s VAL 35 CO -0.02 0.42 0.00 -1.00 0.00 0.00 0.00 175.10 174.50 2dmk s HIS 36 N 0.37 3.05 -0.05 5.22 3.76 -1.26 -3.24 115.29 123.15 2dmk s HIS 36 Ca 0.12 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2dmk s HIS 36 Cb -0.12 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2dmk s HIS 36 CO 0.01 -0.21 -0.17 1.67 -0.85 0.00 0.00 174.74 175.18 2dmk s TRP 37 N 0.96 2.61 -0.09 1.40 -2.14 -1.00 0.15 118.94 120.84 2dmk s TRP 37 Ca 0.02 -0.28 -0.01 0.00 2.66 0.00 0.00 56.10 58.48 2dmk s TRP 37 Cb -0.14 -1.61 -0.03 0.00 -3.10 0.00 0.00 33.47 28.58 2dmk s TRP 37 CO 0.02 0.09 -0.01 -1.50 -2.66 0.00 0.00 176.95 172.89 2dmk s ILE 38 N -0.61 4.19 0.03 0.66 1.10 -0.24 -4.85 121.20 121.48 2dmk s ILE 38 Ca 0.09 -0.29 0.01 0.00 -0.51 0.00 0.00 60.65 59.95 2dmk s ILE 38 Cb -0.11 -2.76 -0.02 0.00 0.15 0.00 0.00 42.46 39.72 2dmk s ILE 38 CO 0.01 0.60 -0.05 -0.94 -2.11 0.00 0.00 174.94 172.45 2dmk s SER 39 N -0.80 0.46 0.15 4.50 1.04 -1.26 -1.66 113.70 116.13 2dmk s SER 39 Ca 0.12 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2dmk s SER 39 Cb -0.11 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.00 2dmk s SER 39 CO 0.02 -0.23 1.34 -0.78 0.98 0.00 0.00 173.24 174.57 2dmk h ASP 40 N 4.74 0.16 -1.38 7.02 3.58 -1.95 -3.44 116.42 125.16 2dmk h ASP 40 Ca -0.33 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2dmk h ASP 40 Cb 1.21 -0.05 -0.25 0.00 1.72 0.00 0.00 39.33 41.96 2dmk h ASP 40 CO 0.42 1.01 -0.36 -1.81 -2.88 0.00 0.00 179.24 175.62 2dmk s ASP 41 N -6.87 -0.71 -0.22 2.28 1.11 -1.26 -5.01 116.67 105.98 2dmk s ASP 41 Ca -0.02 0.61 0.14 0.00 0.18 0.00 0.00 52.55 53.47 2dmk s ASP 41 Cb 0.10 1.73 0.57 0.00 1.07 0.00 0.00 42.92 46.39 2dmk s ASP 41 CO 0.82 -0.28 1.49 -1.84 1.18 0.00 0.00 175.17 176.55 2dmk n GLU 42 N 5.40 2.92 0.09 8.23 0.28 -1.26 -4.55 120.64 131.75 2dmk n GLU 42 Ca -0.02 -2.95 -0.23 0.00 -0.16 0.00 0.00 57.16 53.80 2dmk n GLU 42 Cb 0.51 -1.91 -0.15 0.00 1.43 0.00 0.00 31.44 31.32 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 1.86 0.74 -0.06 -1.84 0.04 -2.00 -3.34 116.94 112.33 2dmk h PHE 43 Ca 0.07 -0.54 -0.22 0.00 2.80 0.00 0.00 57.97 60.09 2dmk h PHE 43 Cb 1.62 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.74 2dmk h PHE 43 CO 0.71 1.50 -0.85 0.77 -0.60 0.00 0.00 178.31 179.84 2dmk h SER 44 N -0.09 0.65 -2.01 2.17 0.02 -2.01 -3.44 113.55 108.85 2dmk h SER 44 Ca -0.24 -0.47 -0.63 0.00 -0.84 0.00 0.00 61.79 59.61 2dmk h SER 44 Cb 1.94 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 64.31 2dmk h SER 44 CO 0.19 1.25 0.99 -0.38 -1.14 0.00 0.00 176.83 177.75 2dmk n ILE 45 N -3.83 0.42 -0.16 3.27 5.41 -1.26 -4.56 119.36 118.65 2dmk n ILE 45 Ca -0.07 -0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 2dmk n ILE 45 Cb 0.78 -1.69 -0.00 0.00 -0.71 0.00 0.00 39.64 38.01 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 8.18 0.74 -4.64 4.38 0.87 -1.59 -3.47 113.55 118.01 2dmk h SER 46 Ca -0.48 -0.27 0.15 0.00 -1.23 0.00 0.00 61.79 59.96 2dmk h SER 46 Cb 1.28 -0.20 -0.15 0.00 -0.44 0.00 0.00 62.40 62.89 2dmk h SER 46 CO 0.93 0.83 0.57 -0.94 -0.53 0.00 0.00 176.83 177.69 2dmk s SER 47 N -6.19 -0.29 0.16 6.23 1.04 -1.14 -5.04 113.70 108.46 2dmk s SER 47 Ca -0.13 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.31 2dmk s SER 47 Cb 0.11 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2dmk s SER 47 CO 0.80 -0.55 0.17 -0.31 0.98 0.00 0.00 173.24 174.32 2dmk s TYR 48 N -2.96 3.23 -0.07 5.02 2.02 -0.77 -2.73 117.35 121.08 2dmk s TYR 48 Ca 0.07 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 2dmk s TYR 48 Cb -0.01 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 2dmk s TYR 48 CO -0.07 0.52 -0.18 -2.00 -1.57 0.00 0.00 175.55 172.25 2dmk s GLU 49 N -3.09 2.20 -0.24 -0.62 2.12 -0.41 -3.44 118.70 115.22 2dmk s GLU 49 Ca 0.32 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 2dmk s GLU 49 Cb -0.10 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.49 2dmk s GLU 49 CO 0.24 0.15 0.04 -1.17 -0.54 0.00 0.00 175.26 173.98 2dmk s LEU 50 N 0.36 3.30 -0.21 2.70 2.96 -1.23 -1.50 118.68 125.06 2dmk s LEU 50 Ca -0.13 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2dmk s LEU 50 Cb -0.15 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.67 2dmk s LEU 50 CO 0.05 -0.02 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.85 2dmk s GLN 51 N 1.54 3.17 0.05 1.98 -0.21 -1.06 -0.87 119.66 124.26 2dmk s GLN 51 Ca 0.06 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 54.75 2dmk s GLN 51 Cb -0.15 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.01 2dmk s GLN 51 CO 0.02 -0.22 -0.13 1.52 -2.12 0.00 0.00 175.29 174.36 2dmk s TYR 52 N 1.39 1.13 -0.10 0.91 1.13 -0.51 -1.03 117.35 120.27 2dmk s TYR 52 Ca 0.05 -0.40 -0.22 0.00 -1.41 0.00 0.00 57.07 55.09 2dmk s TYR 52 Cb -0.14 -0.66 0.05 0.00 -1.10 0.00 0.00 41.96 40.11 2dmk s TYR 52 CO -0.07 0.03 0.52 -0.08 -2.51 0.00 0.00 175.55 173.44 2dmk s THR 53 N -1.04 0.02 -0.12 -3.49 -1.32 -1.07 -2.45 115.64 106.15 2dmk s THR 53 Ca -0.01 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 2dmk s THR 53 Cb -0.09 -0.80 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2dmk s THR 53 CO 0.01 -0.08 1.25 -0.63 -2.21 0.00 0.00 174.62 172.96 2dmk s ILE 54 N -0.69 4.25 -0.42 5.08 1.01 -1.26 -2.39 121.20 126.78 2dmk s ILE 54 Ca -0.08 1.54 -0.09 0.00 0.00 0.00 0.00 60.65 62.03 2dmk s ILE 54 Cb -0.03 -3.99 0.08 0.00 0.01 0.00 0.00 42.46 38.53 2dmk s ILE 54 CO 0.05 -0.08 0.25 0.12 0.00 0.00 0.00 174.94 175.28 2dmk s PHE 55 N 3.01 3.34 -0.93 3.97 2.19 -1.00 -4.99 117.98 123.58 2dmk s PHE 55 Ca 0.55 -1.55 -0.02 0.00 0.33 0.00 0.00 56.93 56.24 2dmk s PHE 55 Cb -0.23 -2.95 0.24 0.00 -1.31 0.00 0.00 43.02 38.77 2dmk s PHE 55 CO 0.18 -0.85 0.88 0.25 1.83 0.00 0.00 175.22 177.51 2dmk n THR 56 N 4.90 3.35 -3.64 0.12 -2.24 -1.26 -4.17 114.28 111.34 2dmk n THR 56 Ca -0.10 -5.22 -0.26 0.00 -2.27 0.00 0.00 64.05 56.21 2dmk n THR 56 Cb 0.43 -2.36 -0.06 0.00 -2.10 0.00 0.00 70.33 66.23 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 2.17 -0.19 3.71 3.38 0.00 -1.26 -4.76 105.19 108.24 2dmk n GLY 57 Ca 0.23 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 2dmk n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmk n GLN 58 N -3.13 2.33 -0.25 1.61 1.13 -1.26 -4.83 117.38 112.98 2dmk n GLN 58 Ca -0.05 0.83 0.10 0.00 -1.94 0.00 0.00 57.00 55.93 2dmk n GLN 58 Cb 0.38 -2.52 0.19 0.00 0.11 0.00 0.00 30.24 28.40 2dmk n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dmk n ALA 59 N 1.64 0.34 -3.30 -1.58 0.00 -1.26 -4.37 120.51 111.98 2dmk n ALA 59 Ca 0.09 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 2dmk n ALA 59 Cb 0.35 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 2dmk n ALA 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dmk s ASN 60 N -5.03 -0.39 0.51 0.00 0.01 -1.26 -5.03 114.94 103.74 2dmk s ASN 60 Ca -0.10 0.76 0.20 0.00 -0.71 0.00 0.00 52.86 53.01 2dmk s ASN 60 Cb 0.21 0.75 1.31 0.00 0.41 0.00 0.00 41.25 43.93 2dmk s ASN 60 CO 0.56 -0.13 2.10 0.15 -1.51 0.00 0.00 177.10 178.27 2dmk h PHE 61 N 5.70 0.00 0.00 2.20 3.57 -2.00 -2.76 116.94 123.65 2dmk h PHE 61 Ca -0.28 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 2dmk h PHE 61 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2dmk h PHE 61 CO 0.39 0.09 -0.00 0.82 -2.23 0.00 0.00 178.31 177.37 2dmk h ILE 62 N 0.00 1.33 -0.76 1.41 1.08 -1.96 -0.58 117.51 118.04 2dmk h ILE 62 Ca -0.00 -1.00 0.17 0.00 -0.39 0.00 0.00 64.86 63.64 2dmk h ILE 62 Cb 0.17 2.01 -0.13 0.00 -3.07 0.00 0.00 36.82 35.80 2dmk h ILE 62 CO 0.01 0.26 0.04 -1.28 -0.69 0.00 0.00 178.15 176.49 2dmk h SER 63 N -0.43 -0.29 0.06 1.72 0.87 -1.91 0.61 113.55 114.19 2dmk h SER 63 Ca -0.00 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dmk h SER 63 Cb 0.43 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2dmk h SER 63 CO 0.00 -0.16 -0.03 0.25 -0.53 0.00 0.00 176.83 176.36 2dmk h LEU 64 N 0.12 -0.07 -2.26 2.23 5.85 -1.55 -3.12 115.31 116.51 2dmk h LEU 64 Ca 0.42 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2dmk h LEU 64 Cb 0.75 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2dmk h LEU 64 CO -0.65 0.51 0.23 0.22 -0.34 0.00 0.00 178.44 178.41 2dmk h TYR 65 N -0.70 0.00 -0.75 1.25 3.20 -0.25 -0.38 116.97 119.35 2dmk h TYR 65 Ca -0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2dmk h TYR 65 Cb 0.58 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2dmk h TYR 65 CO 0.12 0.00 0.28 -0.91 -1.64 0.00 0.00 178.16 176.01 2dmk h ASN 66 N 0.00 1.03 -1.28 -2.11 -0.26 0.27 -2.80 115.58 110.44 2dmk h ASN 66 Ca 0.07 -0.16 -0.65 0.00 -0.56 0.00 0.00 56.30 54.99 2dmk h ASN 66 Cb 0.52 -0.27 -0.26 0.00 -1.06 0.00 0.00 38.32 37.26 2dmk h ASN 66 CO -0.00 0.93 0.85 -0.24 -1.06 0.00 0.00 177.43 177.91 2dmk n SER 67 N -4.28 7.42 0.33 5.81 2.88 -0.15 -4.68 113.62 120.95 2dmk n SER 67 Ca 0.07 -3.68 0.11 0.00 -1.33 0.00 0.00 58.87 54.04 2dmk n SER 67 Cb 0.19 -1.04 0.59 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.42 0.00 -0.21 2.46 3.04 -1.57 0.61 116.25 121.99 2dmk h VAL 68 Ca 0.54 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 66.29 2dmk h VAL 68 Cb 0.55 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 2dmk h VAL 68 CO 1.39 0.00 0.40 0.44 -1.01 0.00 0.00 177.57 178.79 2dmk h ASP 69 N 0.00 0.00 0.31 3.17 5.19 -1.89 0.11 116.42 123.32 2dmk h ASP 69 Ca 0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 2dmk h ASP 69 Cb 1.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 2dmk h ASP 69 CO 0.00 0.00 -1.78 -1.28 -3.12 0.00 0.00 179.24 173.06 2dmk h SER 70 N 0.00 0.31 -1.53 6.45 0.87 -1.26 -3.48 113.55 114.92 2dmk h SER 70 Ca 0.10 -0.59 -0.57 0.00 -1.23 0.00 0.00 61.79 59.50 2dmk h SER 70 Cb 0.89 -0.10 0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2dmk h SER 70 CO -0.00 1.52 -0.87 0.79 -0.53 0.00 0.00 176.83 177.74 2dmk n TRP 71 N -3.36 -1.92 -3.65 2.24 7.02 0.40 -4.91 117.44 113.26 2dmk n TRP 71 Ca -0.23 0.57 -0.36 0.00 -1.02 0.00 0.00 57.50 56.45 2dmk n TRP 71 Cb 1.05 -1.62 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 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 -0.91 4.09 0.28 -0.99 -1.94 -1.03 -5.00 119.30 113.80 2dmk s MET 72 Ca 0.54 -0.24 0.09 0.00 -1.71 0.00 0.00 55.69 54.38 2dmk s MET 72 Cb -0.58 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 32.69 2dmk s MET 72 CO 0.57 0.08 0.01 0.42 -0.01 0.00 0.00 175.02 176.09 2dmk s ILE 73 N 0.99 3.30 -0.40 2.53 -1.09 -1.26 -1.43 121.20 123.84 2dmk s ILE 73 Ca 0.08 -1.91 0.01 0.00 -2.23 0.00 0.00 60.65 56.61 2dmk s ILE 73 Cb -0.13 -2.84 0.14 0.00 -1.58 0.00 0.00 42.46 38.05 2dmk s ILE 73 CO 0.04 -0.34 0.24 -0.69 -1.23 0.00 0.00 174.94 172.96 2dmk s VAL 74 N -2.36 0.78 1.16 2.92 1.01 -0.05 -4.98 120.40 118.88 2dmk s VAL 74 Ca 0.32 -2.23 -0.18 0.00 0.00 0.00 0.00 61.98 59.90 2dmk s VAL 74 Cb -0.05 -1.55 0.27 0.00 0.00 0.00 0.00 36.38 35.04 2dmk s VAL 74 CO 0.20 -0.97 1.11 -2.16 0.00 0.00 0.00 175.10 173.27 2dmk s PRO 75 N 0.60 -0.91 -0.96 2.72 0.04 -1.26 -3.51 135.00 131.72 2dmk s PRO 75 Ca 0.19 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.26 2dmk s PRO 75 Cb -0.20 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2dmk s PRO 75 CO -0.02 -3.52 0.82 0.09 0.04 0.00 0.00 177.00 174.41 2dmk n ASN 76 N -4.65 -3.90 -4.23 6.66 3.02 -1.26 -5.00 115.26 105.90 2dmk n ASN 76 Ca 0.11 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.74 2dmk n ASN 76 Cb 0.59 -4.48 -0.13 0.00 -0.61 0.00 0.00 39.78 35.15 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 3.32 -0.34 2.41 1.01 -1.22 -4.97 121.20 118.09 2dmk s ILE 77 Ca 0.19 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2dmk s ILE 77 Cb -0.02 -2.85 0.45 0.00 0.01 0.00 0.00 42.46 40.05 2dmk s ILE 77 CO 0.63 -0.07 1.23 0.29 0.00 0.00 0.00 174.94 177.02 2dmk n LYS 78 N 4.71 3.54 -4.25 2.79 4.76 -1.26 -1.85 118.16 126.59 2dmk n LYS 78 Ca -0.14 -4.17 -0.15 0.00 -2.87 0.00 0.00 58.31 50.98 2dmk n LYS 78 Cb 0.45 -2.28 -0.09 0.00 -1.84 0.00 0.00 35.03 31.27 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 -3.61 1.43 -0.07 1.97 -2.07 -1.26 -5.04 119.66 111.01 2dmk s GLN 79 Ca 0.51 -1.79 0.20 0.00 -1.82 0.00 0.00 55.36 52.47 2dmk s GLN 79 Cb 0.41 0.18 0.70 0.00 -1.09 0.00 0.00 33.01 33.21 2dmk s GLN 79 CO -0.00 -0.46 1.60 0.09 -1.32 0.00 0.00 175.29 175.20 2dmk n ASN 80 N -0.73 4.44 -3.41 12.60 4.13 -1.26 -4.86 115.26 126.17 2dmk n ASN 80 Ca 0.03 -2.26 0.01 0.00 1.68 0.00 0.00 54.58 54.05 2dmk n ASN 80 Cb 0.65 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 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 -1.50 -0.53 -0.19 3.10 -3.43 -1.26 -2.38 115.29 109.11 2dmk s HIS 81 Ca 0.51 0.94 -0.03 0.00 -0.80 0.00 0.00 55.06 55.68 2dmk s HIS 81 Cb 0.30 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.76 2dmk s HIS 81 CO 0.29 -0.26 -0.07 -0.47 -2.00 0.00 0.00 174.74 172.22 2dmk s TYR 82 N 2.16 2.92 -0.49 0.38 6.14 -1.20 -4.95 117.35 122.31 2dmk s TYR 82 Ca -0.03 -0.80 -0.22 0.00 0.64 0.00 0.00 57.07 56.65 2dmk s TYR 82 Cb -0.05 -2.01 0.04 0.00 0.42 0.00 0.00 41.96 40.36 2dmk s TYR 82 CO -0.17 -0.40 0.78 0.99 0.64 0.00 0.00 175.55 177.39 2dmk s THR 83 N 1.03 4.64 -0.43 4.34 2.01 -1.26 -3.39 115.64 122.57 2dmk s THR 83 Ca 0.00 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 2dmk s THR 83 Cb -0.15 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.02 2dmk s THR 83 CO -0.00 -0.84 0.98 -0.69 -0.69 0.00 0.00 174.62 173.37 2dmk s VAL 84 N 3.29 4.45 0.06 3.82 1.01 -0.03 -4.90 120.40 128.10 2dmk s VAL 84 Ca 0.26 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 2dmk s VAL 84 Cb -0.14 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2dmk s VAL 84 CO 0.19 -0.77 0.22 -1.00 0.00 0.00 0.00 175.10 173.74 2dmk s HIS 85 N 3.81 3.52 0.00 5.22 3.76 -1.26 -2.02 115.29 128.32 2dmk s HIS 85 Ca 0.40 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 2dmk s HIS 85 Cb -0.10 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.81 2dmk s HIS 85 CO 0.25 0.59 0.00 0.41 -0.85 0.00 0.00 174.74 175.13 2dmk n GLY 86 N 0.33 0.99 3.99 -2.22 0.00 -0.34 -4.99 105.19 102.95 2dmk n GLY 86 Ca -0.05 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.15 0.00 -4.91 0.99 4.77 -0.11 -5.00 117.00 112.58 2dmk n LEU 87 Ca 0.00 -2.72 -0.32 0.00 -0.03 0.00 0.00 56.01 52.94 2dmk n LEU 87 Cb 0.16 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2dmk n LEU 87 CO 0.00 -0.67 -0.14 -1.10 -1.33 0.00 0.00 177.39 174.14 2dmk s GLN 88 N -4.57 3.45 0.25 3.23 -1.52 -1.26 -4.35 119.66 114.89 2dmk s GLN 88 Ca 0.51 -0.39 -0.27 0.00 -1.95 0.00 0.00 55.36 53.27 2dmk s GLN 88 Cb -0.04 -3.05 -0.09 0.00 -0.22 0.00 0.00 33.01 29.61 2dmk s GLN 88 CO 0.33 0.62 0.89 -1.54 -0.25 0.00 0.00 175.29 175.34 2dmk s SER 89 N -2.34 7.45 -1.16 5.90 1.04 -1.00 -4.10 113.70 119.49 2dmk s SER 89 Ca 0.33 1.81 -0.11 0.00 0.48 0.00 0.00 55.95 58.46 2dmk s SER 89 Cb -0.13 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2dmk s SER 89 CO 0.25 0.08 0.80 0.61 0.98 0.00 0.00 173.24 175.97 2dmk n GLY 90 N 1.14 -0.85 3.17 7.32 0.00 -1.02 -4.99 105.19 109.96 2dmk n GLY 90 Ca -0.01 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.50 0.01 0.31 2.61 2.01 -1.26 -4.96 115.64 110.86 2dmk s THR 91 Ca 0.34 -0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2dmk s THR 91 Cb -0.09 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 71.90 2dmk s THR 91 CO 0.81 -0.06 1.16 -0.13 -0.69 0.00 0.00 174.62 175.71 2dmk s ARG 92 N -0.15 4.47 -0.06 4.92 0.52 -1.26 -3.13 118.95 124.26 2dmk s ARG 92 Ca -0.03 1.90 -0.03 0.00 -0.52 0.00 0.00 55.73 57.06 2dmk s ARG 92 Cb -0.03 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.42 2dmk s ARG 92 CO 0.01 0.02 0.09 0.71 0.02 0.00 0.00 175.30 176.15 2dmk s TYR 93 N -1.21 0.01 0.05 -0.53 1.51 0.34 -2.36 117.35 115.16 2dmk s TYR 93 Ca 0.48 0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 56.65 2dmk s TYR 93 Cb -0.33 -0.44 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 2dmk s TYR 93 CO 0.43 -0.24 0.54 0.42 -1.11 0.00 0.00 175.55 175.60 2dmk s ILE 94 N 2.20 4.80 -0.04 2.71 1.01 -1.01 -2.02 121.20 128.85 2dmk s ILE 94 Ca 0.04 1.16 0.03 0.00 0.00 0.00 0.00 60.65 61.88 2dmk s ILE 94 Cb -0.12 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2dmk s ILE 94 CO -0.04 0.55 -0.13 -0.36 0.00 0.00 0.00 174.94 174.96 2dmk s PHE 95 N -1.02 1.34 -0.20 3.97 0.40 -0.98 -2.61 117.98 118.88 2dmk s PHE 95 Ca 0.28 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2dmk s PHE 95 Cb -0.19 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.47 2dmk s PHE 95 CO 0.18 -0.16 0.06 0.42 0.70 0.00 0.00 175.22 176.42 2dmk s ILE 96 N 0.21 0.33 0.09 0.64 1.01 -0.20 -1.54 121.20 121.74 2dmk s ILE 96 Ca -0.05 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2dmk s ILE 96 Cb -0.11 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 2dmk s ILE 96 CO 0.02 -0.28 0.84 -0.69 0.00 0.00 0.00 174.94 174.82 2dmk s VAL 97 N 1.94 4.59 -0.09 2.92 1.01 -1.26 -2.56 120.40 126.95 2dmk s VAL 97 Ca 0.01 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.82 2dmk s VAL 97 Cb -0.17 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2dmk s VAL 97 CO -0.10 0.37 -0.19 -0.75 0.00 0.00 0.00 175.10 174.43 2dmk s LYS 98 N -0.22 2.51 -0.40 2.72 2.20 -0.57 -1.66 119.74 124.33 2dmk s LYS 98 Ca 0.41 -0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 2dmk s LYS 98 Cb -0.22 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2dmk s LYS 98 CO 0.26 0.10 0.31 0.00 -0.36 0.00 0.00 175.35 175.65 2dmk s ALA 99 N 0.52 3.48 -0.16 3.13 0.00 -1.07 -1.29 121.76 126.37 2dmk s ALA 99 Ca -0.16 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.13 2dmk s ALA 99 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2dmk s ALA 99 CO 0.06 -1.37 0.01 0.42 0.00 0.00 0.00 175.76 174.89 2dmk s ILE 100 N 1.75 4.36 0.19 0.00 1.01 -1.10 -1.89 121.20 125.51 2dmk s ILE 100 Ca 0.06 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2dmk s ILE 100 Cb -0.18 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2dmk s ILE 100 CO 0.11 0.48 0.12 -0.46 0.00 0.00 0.00 174.94 175.19 2dmk n ASN 101 N 3.44 0.18 -0.30 3.58 6.94 0.36 -1.56 115.26 127.91 2dmk n ASN 101 Ca -0.17 -2.13 0.10 0.00 -0.02 0.00 0.00 54.58 52.36 2dmk n ASN 101 Cb 0.52 0.74 0.33 0.00 -2.36 0.00 0.00 39.78 39.01 2dmk n ASN 101 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2dmk h GLN 102 N 0.00 0.78 0.00 -3.83 4.15 -1.97 -3.17 115.11 111.07 2dmk h GLN 102 Ca -0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2dmk h GLN 102 Cb 0.62 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2dmk h GLN 102 CO 0.21 0.52 0.00 0.00 -1.93 0.00 0.00 178.83 177.62 2dmk n ALA 103 N -2.40 -0.20 -2.09 3.38 0.00 -1.26 -5.06 120.51 112.88 2dmk n ALA 103 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2dmk n ALA 103 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 0.47 3.88 3.04 0.00 0.00 -1.20 -4.97 105.19 106.41 2dmk n GLY 104 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 1.91 0.30 -0.24 1.61 1.04 -1.26 -0.49 113.70 116.58 2dmk s SER 105 Ca 0.00 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 2dmk s SER 105 Cb 0.00 0.16 0.08 0.00 0.10 0.00 0.00 66.02 66.36 2dmk s SER 105 CO 0.00 -0.43 0.10 -0.60 0.98 0.00 0.00 173.24 173.29 2dmk s ARG 106 N -2.41 0.27 0.02 4.02 6.06 -0.79 -4.69 118.95 121.43 2dmk s ARG 106 Ca -0.07 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.45 2dmk s ARG 106 Cb -0.03 -1.63 -0.04 0.00 0.06 0.00 0.00 34.95 33.31 2dmk s ARG 106 CO -0.04 -0.83 0.99 0.54 -2.50 0.00 0.00 175.30 173.45 2dmk s ASN 107 N 2.02 7.38 0.84 -2.12 4.22 -1.26 -2.58 114.94 123.43 2dmk s ASN 107 Ca 0.05 1.70 -0.10 0.00 -2.14 0.00 0.00 52.86 52.37 2dmk s ASN 107 Cb -0.16 -2.57 0.14 0.00 1.28 0.00 0.00 41.25 39.93 2dmk s ASN 107 CO -0.21 -0.24 1.17 -0.94 -2.04 0.00 0.00 177.10 174.84 2dmk s SER 108 N 0.83 3.93 0.54 3.54 1.04 -0.66 -4.99 113.70 117.93 2dmk s SER 108 Ca 0.51 0.26 -0.19 0.00 0.48 0.00 0.00 55.95 57.01 2dmk s SER 108 Cb -0.22 -0.57 -0.06 0.00 0.10 0.00 0.00 66.02 65.27 2dmk s SER 108 CO 0.28 -2.19 1.09 -1.61 0.98 0.00 0.00 173.24 171.79 2dmk s GLU 109 N -5.56 3.45 -0.10 4.02 2.02 -1.26 -4.75 118.70 116.53 2dmk s GLU 109 Ca 0.68 1.48 -0.29 0.00 0.02 0.00 0.00 54.97 56.85 2dmk s GLU 109 Cb -0.07 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 2dmk s GLU 109 CO 0.49 -0.74 1.52 -1.25 0.02 0.00 0.00 175.26 175.30 2dmk s PRO 110 N -3.40 4.18 -0.47 0.39 0.04 -1.26 -4.72 135.00 129.77 2dmk s PRO 110 Ca 0.70 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.58 2dmk s PRO 110 Cb -0.20 -3.92 0.07 0.00 0.04 0.00 0.00 34.50 30.49 2dmk s PRO 110 CO 0.27 -0.82 0.39 0.99 0.04 0.00 0.00 177.00 177.86 2dmk s THR 111 N 3.91 5.23 0.01 1.26 2.01 -0.59 -4.93 115.64 122.55 2dmk s THR 111 Ca 0.67 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 2dmk s THR 111 Cb -0.29 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2dmk s THR 111 CO 0.25 -0.55 1.28 -0.13 -0.69 0.00 0.00 174.62 174.78 2dmk s ARG 112 N 1.66 4.35 0.13 4.92 0.52 -1.26 -2.31 118.95 126.96 2dmk s ARG 112 Ca 0.04 1.83 0.04 0.00 -0.52 0.00 0.00 55.73 57.12 2dmk s ARG 112 Cb -0.24 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 2dmk s ARG 112 CO 0.07 -0.43 -0.10 -0.51 0.02 0.00 0.00 175.30 174.35 2dmk s LEU 113 N 1.83 2.49 -0.01 2.53 1.43 -0.86 -5.01 118.68 121.09 2dmk s LEU 113 Ca 0.60 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2dmk s LEU 113 Cb -0.29 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2dmk s LEU 113 CO 0.26 -0.32 -0.10 -0.54 0.23 0.00 0.00 176.35 175.88 2dmk s LYS 114 N -3.49 0.85 0.78 1.70 1.02 -1.26 -0.50 119.74 118.83 2dmk s LYS 114 Ca 0.13 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.70 2dmk s LYS 114 Cb 0.01 -0.82 0.11 0.00 -0.52 0.00 0.00 37.83 36.62 2dmk s LYS 114 CO -0.00 0.19 1.09 0.95 -0.92 0.00 0.00 175.35 176.66 2dmk s THR 115 N -0.13 2.17 0.34 2.17 -4.23 -1.18 -4.66 115.64 110.11 2dmk s THR 115 Ca 0.02 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 2dmk s THR 115 Cb -0.05 -2.90 -0.08 0.00 1.34 0.00 0.00 72.50 70.82 2dmk s THR 115 CO -0.00 0.00 0.72 0.20 -0.54 0.00 0.00 174.62 175.00 2dmk s ASN 116 N -4.67 6.65 0.00 3.99 0.01 -1.25 -4.38 114.94 115.28 2dmk s ASN 116 Ca 0.65 1.16 -0.00 0.00 -0.71 0.00 0.00 52.86 53.96 2dmk s ASN 116 Cb -0.08 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 2dmk s ASN 116 CO 0.47 -0.26 1.00 0.77 -1.51 0.00 0.00 177.10 177.57 2dmk h SER 117 N 1.88 -0.01 -4.68 -1.22 4.64 -1.95 -2.71 113.55 109.50 2dmk h SER 117 Ca -0.47 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 2dmk h SER 117 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 2dmk h SER 117 CO 0.65 -0.00 -0.67 -1.10 -0.87 0.00 0.00 176.83 174.84 2dmk s GLN 118 N -3.02 0.98 0.00 4.77 -0.21 -1.26 -3.84 119.66 117.09 2dmk s GLN 118 Ca -0.00 -1.45 0.14 0.00 0.02 0.00 0.00 55.36 54.07 2dmk s GLN 118 Cb 0.00 -0.16 0.67 0.00 1.00 0.00 0.00 33.01 34.52 2dmk s GLN 118 CO 0.00 -0.11 1.43 -0.35 -2.12 0.00 0.00 175.29 174.14 2dmk n PRO 119 N -0.15 0.10 -4.73 2.91 -0.04 -1.26 -4.66 135.00 127.17 2dmk n PRO 119 Ca -0.08 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2dmk n PRO 119 Cb 0.62 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 2dmk n PRO 119 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dmk s PHE 120 N -2.79 2.83 0.31 0.54 5.36 -1.26 -5.04 117.98 117.94 2dmk s PHE 120 Ca 0.10 -0.18 -0.27 0.00 -0.96 0.00 0.00 56.93 55.62 2dmk s PHE 120 Cb 0.10 -1.72 -0.09 0.00 -0.34 0.00 0.00 43.02 40.96 2dmk s PHE 120 CO 0.24 0.16 1.00 0.15 -1.46 0.00 0.00 175.22 175.31 2dmk s LYS 121 N -0.49 4.56 -0.03 10.12 1.02 -1.26 -4.98 119.74 128.68 2dmk s LYS 121 Ca 0.07 1.51 -0.09 0.00 0.02 0.00 0.00 55.97 57.47 2dmk s LYS 121 Cb -0.12 -2.92 -0.31 0.00 -0.52 0.00 0.00 37.83 33.96 2dmk s LYS 121 CO 0.02 0.22 0.75 0.66 -0.92 0.00 0.00 175.35 176.07 2dmk h SER 122 N 3.36 0.59 0.00 2.83 4.64 -1.99 -3.48 113.55 119.49 2dmk h SER 122 Ca -0.47 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.02 2dmk h SER 122 Cb 1.20 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2dmk h SER 122 CO 0.65 1.70 0.00 0.61 -0.87 0.00 0.00 176.83 178.92 2dmk n GLY 123 N 1.80 -0.68 0.18 -0.77 0.00 -1.26 -5.06 105.19 99.40 2dmk n GLY 123 Ca -0.22 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2dmk n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmk h PRO 124 N 0.00 0.57 -6.40 1.61 0.13 -2.03 -3.43 132.00 122.45 2dmk h PRO 124 Ca 0.00 -0.30 -0.54 0.00 -0.87 0.00 0.00 66.00 64.29 2dmk h PRO 124 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dmk h PRO 124 CO 0.00 0.89 0.71 -1.12 -0.23 0.00 0.00 178.00 178.25 2dmk s SER 125 N -6.38 6.97 0.28 1.44 0.01 -1.26 -4.91 113.70 109.85 2dmk s SER 125 Ca -0.13 2.01 -0.04 0.00 1.31 0.00 0.00 55.95 59.10 2dmk s SER 125 Cb 0.07 -2.57 0.55 0.00 0.21 0.00 0.00 66.02 64.29 2dmk s SER 125 CO 0.80 -0.61 1.59 0.77 0.41 0.00 0.00 173.24 176.20 2dmk h SER 126 N 7.36 -0.58 0.00 2.44 4.64 -2.05 -3.54 113.55 121.82 2dmk h SER 126 Ca -0.38 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2dmk h SER 126 Cb 1.18 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2dmk h SER 126 CO 0.87 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.15