#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk h SER 2 N 0.00 -0.06 -0.96 1.61 0.87 -2.05 -2.84 113.55 110.12 2dmk h SER 2 Ca 0.00 0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 60.08 2dmk h SER 2 Cb 0.00 0.13 -0.42 0.00 -0.44 0.00 0.00 62.40 61.67 2dmk h SER 2 CO 0.00 0.00 -0.68 -0.24 -0.53 0.00 0.00 176.83 175.38 2dmk n SER 3 N -5.14 5.07 0.00 6.23 2.88 -1.26 -4.98 113.62 116.42 2dmk n SER 3 Ca 0.04 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2dmk n SER 3 Cb 0.22 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2dmk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmk n GLY 4 N -0.67 1.41 3.25 0.46 0.00 -1.07 -4.79 105.19 103.78 2dmk n GLY 4 Ca 0.44 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 2dmk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmk s SER 5 N 0.00 2.41 -0.24 1.61 0.15 -1.26 -4.56 113.70 111.82 2dmk s SER 5 Ca 0.00 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.03 2dmk s SER 5 Cb 0.00 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2dmk s SER 5 CO 0.00 0.12 0.02 -0.44 1.20 0.00 0.00 173.24 174.14 2dmk s SER 6 N -1.37 4.75 0.00 5.45 0.01 -1.26 -4.93 113.70 116.35 2dmk s SER 6 Ca 0.07 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2dmk s SER 6 Cb -0.09 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2dmk s SER 6 CO 0.02 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2dmk n GLY 7 N 4.87 -0.66 4.01 3.44 0.00 -1.26 -5.17 105.19 110.42 2dmk n GLY 7 Ca -0.17 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.60 2.60 0.00 1.61 1.03 -1.26 -5.12 118.70 116.97 2dmk s GLU 8 Ca 0.00 -1.27 0.00 0.00 0.03 0.00 0.00 54.97 53.73 2dmk s GLU 8 Cb 0.00 -2.67 0.00 0.00 -0.80 0.00 0.00 34.13 30.66 2dmk s GLU 8 CO 0.00 -0.54 0.00 0.41 -1.33 0.00 0.00 175.26 173.80 2dmk n GLY 9 N -2.06 4.29 3.12 -3.83 0.00 -1.26 -5.18 105.19 100.27 2dmk n GLY 9 Ca 0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 1.22 0.00 0.99 1.43 -1.26 -5.03 118.68 116.02 2dmk s LEU 10 Ca 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2dmk s LEU 10 Cb 0.00 0.80 -0.02 0.00 0.03 0.00 0.00 46.19 47.00 2dmk s LEU 10 CO 0.00 -0.20 0.09 -0.67 0.23 0.00 0.00 176.35 175.80 2dmk n ASP 11 N 2.37 0.11 -2.53 2.29 2.03 -1.26 -4.95 116.55 114.61 2dmk n ASP 11 Ca -0.16 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.59 2dmk n ASP 11 Cb 0.57 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmk n TYR 12 N -1.02 -2.73 -0.49 -0.67 4.11 -1.26 -4.80 117.16 110.30 2dmk n TYR 12 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 2dmk n TYR 12 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.31 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 2dmk n LEU 13 N 0.00 3.44 0.23 -3.48 0.00 -1.26 -4.40 117.00 111.53 2dmk n LEU 13 Ca 0.00 -1.91 0.17 0.00 0.00 0.00 0.00 56.01 54.27 2dmk n LEU 13 Cb 0.00 -0.83 0.87 0.00 0.00 0.00 0.00 43.42 43.46 2dmk n LEU 13 CO 0.00 0.80 1.15 0.00 0.00 0.00 0.00 177.39 179.34 2dmk h THR 14 N 1.86 0.40 -1.73 1.96 1.03 -1.92 -3.43 112.91 111.07 2dmk h THR 14 Ca 0.06 0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.68 2dmk h THR 14 Cb 0.82 0.85 -0.17 0.00 -1.07 0.00 0.00 68.15 68.58 2dmk h THR 14 CO 0.17 0.00 0.71 0.00 -0.01 0.00 0.00 175.52 176.39 2dmk s ALA 15 N -4.56 -2.00 0.48 0.00 0.00 -1.26 -4.43 121.76 109.99 2dmk s ALA 15 Ca -0.05 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 2dmk s ALA 15 Cb 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.29 2dmk s ALA 15 CO 0.52 -0.67 1.15 -1.25 0.00 0.00 0.00 175.76 175.51 2dmk s PRO 16 N -2.65 3.64 0.28 0.00 0.04 -1.26 -4.98 135.00 130.07 2dmk s PRO 16 Ca 0.09 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2dmk s PRO 16 Cb -0.01 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 2dmk s PRO 16 CO -0.06 -0.64 1.34 -0.80 0.04 0.00 0.00 177.00 176.88 2dmk s ASN 17 N -1.48 6.79 0.01 6.66 -0.87 -1.26 -4.49 114.94 120.29 2dmk s ASN 17 Ca 0.66 2.61 -0.30 0.00 -1.57 0.00 0.00 52.86 54.26 2dmk s ASN 17 Cb -0.27 -2.63 -0.06 0.00 -0.02 0.00 0.00 41.25 38.27 2dmk s ASN 17 CO 0.32 -0.56 1.45 -2.16 -2.57 0.00 0.00 177.10 173.58 2dmk s PRO 18 N -1.05 4.27 0.56 -0.60 0.04 -1.26 -4.78 135.00 132.18 2dmk s PRO 18 Ca 0.53 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.41 2dmk s PRO 18 Cb -0.39 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 2dmk s PRO 18 CO 0.47 -0.61 1.13 -1.25 0.04 0.00 0.00 177.00 176.77 2dmk s PRO 19 N 2.49 3.27 -0.43 0.56 0.04 -1.26 -4.98 135.00 134.70 2dmk s PRO 19 Ca 0.66 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 63.17 2dmk s PRO 19 Cb -0.33 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.29 2dmk s PRO 19 CO 0.27 -0.91 0.28 -1.12 0.04 0.00 0.00 177.00 175.57 2dmk s SER 20 N -1.90 5.71 -0.46 6.66 0.01 -0.09 -4.76 113.70 118.87 2dmk s SER 20 Ca 0.72 -1.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.22 2dmk s SER 20 Cb -0.23 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 2dmk s SER 20 CO 0.29 -0.55 1.65 -0.63 0.41 0.00 0.00 173.24 174.41 2dmk s ILE 21 N 1.45 3.60 -0.59 1.44 1.01 -1.26 -0.27 121.20 126.59 2dmk s ILE 21 Ca 0.03 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 2dmk s ILE 21 Cb -0.23 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.25 2dmk s ILE 21 CO 0.03 -0.77 1.39 -0.13 0.00 0.00 0.00 174.94 175.46 2dmk s ARG 22 N 5.80 3.28 0.23 2.79 1.81 0.23 -4.86 118.95 128.24 2dmk s ARG 22 Ca 0.67 0.35 -0.00 0.00 -1.72 0.00 0.00 55.73 55.02 2dmk s ARG 22 Cb -0.16 -4.13 0.24 0.00 -0.45 0.00 0.00 34.95 30.46 2dmk s ARG 22 CO 0.29 -1.97 1.60 0.93 -0.68 0.00 0.00 175.30 175.47 2dmk h GLU 23 N 10.91 0.50 -0.51 3.54 5.08 -1.92 -1.33 114.58 130.86 2dmk h GLU 23 Ca -0.27 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2dmk h GLU 23 Cb 1.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2dmk h GLU 23 CO 1.19 0.84 0.20 1.05 -1.00 0.00 0.00 179.01 181.29 2dmk h GLU 24 N 0.41 0.73 0.00 2.33 4.11 -1.96 -2.29 114.58 117.91 2dmk h GLU 24 Ca 0.03 -0.10 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 2dmk h GLU 24 Cb 0.92 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2dmk h GLU 24 CO 0.08 0.60 -0.79 -0.07 0.07 0.00 0.00 179.01 178.90 2dmk h LEU 25 N 0.72 0.00-10.13 3.06 3.38 -1.90 -3.47 115.31 106.98 2dmk h LEU 25 Ca 0.17 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.62 2dmk h LEU 25 Cb 0.15 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.10 2dmk h LEU 25 CO -0.02 0.36 0.02 0.00 0.09 0.00 0.00 178.44 178.89 2dmk s THR 27 N -2.52 0.01 -0.05 0.00 -4.23 -0.50 -5.00 115.64 103.34 2dmk s THR 27 Ca 0.65 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 2dmk s THR 27 Cb -0.23 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 2dmk s THR 27 CO 0.60 -0.03 -0.18 0.00 -0.54 0.00 0.00 174.62 174.47 2dmk s ALA 28 N -0.04 2.49 0.23 3.99 0.00 -1.26 -1.31 121.76 125.86 2dmk s ALA 28 Ca -0.01 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2dmk s ALA 28 Cb -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2dmk s ALA 28 CO 0.00 0.51 -0.04 0.45 0.00 0.00 0.00 175.76 176.68 2dmk s SER 29 N -0.55 2.09 0.15 0.00 0.15 0.37 -4.29 113.70 111.63 2dmk s SER 29 Ca 0.08 -1.17 -0.29 0.00 0.70 0.00 0.00 55.95 55.26 2dmk s SER 29 Cb -0.11 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 2dmk s SER 29 CO 0.01 -0.43 1.56 1.12 1.20 0.00 0.00 173.24 176.70 2dmk h HIS 30 N 2.47 -1.53 -0.33 3.44 2.07 -1.92 -3.04 115.15 116.32 2dmk h HIS 30 Ca -0.38 0.09 -0.26 0.00 -2.85 0.00 0.00 60.37 56.97 2dmk h HIS 30 Cb 1.22 0.74 -0.28 0.00 2.57 0.00 0.00 27.41 31.66 2dmk h HIS 30 CO 0.62 -0.44 -0.81 -0.40 -3.07 0.00 0.00 177.93 173.82 2dmk n ASP 31 N -5.38 2.62 -3.54 3.10 5.68 -1.26 -1.44 116.55 116.33 2dmk n ASP 31 Ca -0.00 -3.18 -0.15 0.00 -0.50 0.00 0.00 54.79 50.96 2dmk n ASP 31 Cb 0.34 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2dmk s THR 32 N -3.23 0.02 -0.19 2.12 2.01 -1.15 -2.00 115.64 113.22 2dmk s THR 32 Ca 0.40 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.16 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 -0.05 -0.07 0.46 -0.63 -0.69 0.00 0.00 174.62 173.64 2dmk s ILE 33 N -2.18 -0.04 -0.23 1.82 1.01 -0.83 0.14 121.20 120.89 2dmk s ILE 33 Ca -0.07 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 2dmk s ILE 33 Cb -0.01 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2dmk s ILE 33 CO 0.01 0.03 -0.06 -0.89 0.00 0.00 0.00 174.94 174.03 2dmk s THR 34 N 1.48 3.18 -0.14 2.92 2.01 -0.42 -0.90 115.64 123.77 2dmk s THR 34 Ca -0.09 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 2dmk s THR 34 Cb -0.08 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2dmk s THR 34 CO -0.14 0.37 0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2dmk s VAL 35 N 1.43 5.24 -0.18 3.82 1.01 -1.23 -1.41 120.40 129.08 2dmk s VAL 35 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2dmk s VAL 35 Cb -0.15 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2dmk s VAL 35 CO -0.04 0.56 -0.10 -1.00 0.00 0.00 0.00 175.10 174.52 2dmk s HIS 36 N -0.55 2.88 -0.08 5.22 3.76 -1.26 -3.32 115.29 121.95 2dmk s HIS 36 Ca 0.12 -0.95 0.05 0.00 -0.15 0.00 0.00 55.06 54.13 2dmk s HIS 36 Cb -0.12 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 2dmk s HIS 36 CO 0.02 -0.47 -0.23 1.67 -0.85 0.00 0.00 174.74 174.88 2dmk s TRP 37 N 1.06 2.52 -0.11 1.40 -2.14 -0.80 0.77 118.94 121.65 2dmk s TRP 37 Ca -0.00 -0.76 -0.02 0.00 2.66 0.00 0.00 56.10 57.98 2dmk s TRP 37 Cb -0.15 -1.65 -0.03 0.00 -3.10 0.00 0.00 33.47 28.54 2dmk s TRP 37 CO -0.02 -0.24 -0.05 -1.50 -2.66 0.00 0.00 176.95 172.49 2dmk s ILE 38 N -0.02 3.86 0.01 0.66 1.10 0.63 -4.81 121.20 122.62 2dmk s ILE 38 Ca -0.07 -0.39 0.01 0.00 -0.51 0.00 0.00 60.65 59.68 2dmk s ILE 38 Cb -0.15 -2.64 -0.01 0.00 0.15 0.00 0.00 42.46 39.82 2dmk s ILE 38 CO 0.05 0.55 -0.03 -0.44 -2.11 0.00 0.00 174.94 172.96 2dmk s SER 39 N -0.27 0.28 -0.06 4.50 0.01 -1.26 -0.91 113.70 115.99 2dmk s SER 39 Ca 0.04 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 56.98 2dmk s SER 39 Cb -0.13 0.01 -0.30 0.00 0.21 0.00 0.00 66.02 65.81 2dmk s SER 39 CO 0.02 -0.08 0.67 0.44 0.41 0.00 0.00 173.24 174.71 2dmk h ASP 40 N 5.60 0.57 -3.96 2.44 3.32 -1.97 -3.42 116.42 119.00 2dmk h ASP 40 Ca -0.28 -0.92 -0.64 0.00 0.02 0.00 0.00 57.03 55.21 2dmk h ASP 40 Cb 1.21 -0.19 -0.40 0.00 0.22 0.00 0.00 39.33 40.17 2dmk h ASP 40 CO 0.47 1.72 -0.68 -1.81 -1.72 0.00 0.00 179.24 177.23 2dmk s ASP 41 N -7.24 4.37 -0.13 6.45 1.11 -1.26 -4.90 116.67 115.08 2dmk s ASP 41 Ca -0.16 -2.58 0.17 0.00 0.18 0.00 0.00 52.55 50.15 2dmk s ASP 41 Cb 0.05 -1.51 0.28 0.00 1.07 0.00 0.00 42.92 42.81 2dmk s ASP 41 CO 0.84 -0.30 1.15 -1.84 1.18 0.00 0.00 175.17 176.19 2dmk n GLU 42 N 3.67 1.20 0.05 8.23 0.28 -1.26 -4.67 120.64 128.13 2dmk n GLU 42 Ca 0.05 -2.53 -0.08 0.00 -0.16 0.00 0.00 57.16 54.44 2dmk n GLU 42 Cb 0.36 -1.42 -0.12 0.00 1.43 0.00 0.00 31.44 31.69 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 0.11 0.03 0.21 -1.84 -1.00 -1.99 -3.34 116.94 109.13 2dmk h PHE 43 Ca -0.00 -0.03 -0.31 0.00 2.81 0.00 0.00 57.97 60.44 2dmk h PHE 43 Cb 1.04 -0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.62 2dmk h PHE 43 CO 0.08 1.02 -1.43 0.77 -1.61 0.00 0.00 178.31 177.14 2dmk h SER 44 N 0.01 0.71 -0.95 2.17 0.02 -1.99 -3.45 113.55 110.06 2dmk h SER 44 Ca -0.07 -0.93 -0.73 0.00 -0.84 0.00 0.00 61.79 59.23 2dmk h SER 44 Cb 1.83 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 2dmk h SER 44 CO 0.13 1.68 1.21 -0.38 -1.14 0.00 0.00 176.83 178.32 2dmk n ILE 45 N -3.77 0.17 0.14 3.27 5.41 -1.25 -4.72 119.36 118.60 2dmk n ILE 45 Ca -0.19 -0.12 0.03 0.00 1.00 0.00 0.00 62.75 63.47 2dmk n ILE 45 Cb 1.04 -1.18 0.43 0.00 -0.71 0.00 0.00 39.64 39.22 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 9.65 0.19 -4.30 4.38 0.87 -1.63 -3.46 113.55 119.25 2dmk h SER 46 Ca -0.29 -0.03 0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2dmk h SER 46 Cb 1.35 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 63.07 2dmk h SER 46 CO 1.02 0.32 0.70 -0.94 -0.53 0.00 0.00 176.83 177.39 2dmk s SER 47 N -6.90 -0.22 0.31 6.23 1.04 -1.20 -5.05 113.70 107.90 2dmk s SER 47 Ca -0.05 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.48 2dmk s SER 47 Cb 0.16 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2dmk s SER 47 CO 0.72 -0.35 0.40 -0.31 0.98 0.00 0.00 173.24 174.68 2dmk s TYR 48 N -2.46 3.16 -0.03 5.02 2.02 -0.72 -2.61 117.35 121.72 2dmk s TYR 48 Ca 0.07 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2dmk s TYR 48 Cb -0.01 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2dmk s TYR 48 CO -0.06 0.15 0.05 -2.00 -1.57 0.00 0.00 175.55 172.12 2dmk s GLU 49 N -4.09 -0.04 -0.29 -0.62 -6.30 -1.12 -3.69 118.70 102.54 2dmk s GLU 49 Ca 0.41 0.29 -0.11 0.00 -2.50 0.00 0.00 54.97 53.06 2dmk s GLU 49 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 34.13 33.67 2dmk s GLU 49 CO 0.30 -0.24 0.18 -1.17 0.02 0.00 0.00 175.26 174.35 2dmk s LEU 50 N 1.55 4.07 -0.28 2.70 2.96 -1.25 -1.68 118.68 126.74 2dmk s LEU 50 Ca -0.03 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2dmk s LEU 50 Cb -0.13 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.51 2dmk s LEU 50 CO -0.03 -0.11 0.02 -1.10 -1.32 0.00 0.00 176.35 173.80 2dmk s GLN 51 N 1.71 2.87 0.16 1.98 -0.21 -0.91 -2.73 119.66 122.53 2dmk s GLN 51 Ca 0.06 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.53 2dmk s GLN 51 Cb -0.16 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 2dmk s GLN 51 CO 0.09 -0.46 -0.13 1.52 -2.12 0.00 0.00 175.29 174.18 2dmk s TYR 52 N 1.39 1.49 -0.14 0.91 1.13 -1.10 -0.23 117.35 120.80 2dmk s TYR 52 Ca 0.00 -0.62 -0.29 0.00 -1.41 0.00 0.00 57.07 54.76 2dmk s TYR 52 Cb -0.17 -0.73 0.09 0.00 -1.10 0.00 0.00 41.96 40.04 2dmk s TYR 52 CO -0.01 0.21 0.78 -0.08 -2.51 0.00 0.00 175.55 173.95 2dmk s THR 53 N -2.77 0.00 -0.11 -3.49 -1.32 -1.00 -0.04 115.64 106.91 2dmk s THR 53 Ca 0.16 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.35 2dmk s THR 53 Cb -0.01 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2dmk s THR 53 CO 0.04 0.00 1.41 -0.63 -2.21 0.00 0.00 174.62 173.22 2dmk s ILE 54 N -0.72 3.99 -0.49 5.08 1.01 -1.26 -2.32 121.20 126.49 2dmk s ILE 54 Ca -0.06 1.22 -0.17 0.00 0.00 0.00 0.00 60.65 61.64 2dmk s ILE 54 Cb -0.02 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.73 2dmk s ILE 54 CO 0.05 -0.09 0.51 0.12 0.00 0.00 0.00 174.94 175.52 2dmk s PHE 55 N 3.54 3.15 0.02 3.97 2.19 -1.07 -4.97 117.98 124.81 2dmk s PHE 55 Ca 0.62 -0.76 -0.13 0.00 0.33 0.00 0.00 56.93 56.99 2dmk s PHE 55 Cb -0.27 -3.36 0.02 0.00 -1.31 0.00 0.00 43.02 38.10 2dmk s PHE 55 CO 0.21 -0.92 0.29 -0.08 1.83 0.00 0.00 175.22 176.55 2dmk s THR 56 N 2.11 0.08 -0.31 0.12 -1.32 -1.26 -4.15 115.64 110.90 2dmk s THR 56 Ca 0.09 -0.63 -0.28 0.00 -1.21 0.00 0.00 61.69 59.67 2dmk s THR 56 Cb -0.22 -0.79 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2dmk s THR 56 CO 0.09 -0.35 0.47 0.61 -2.21 0.00 0.00 174.62 173.23 2dmk n GLY 57 N 0.89 0.14 2.80 6.08 0.00 -1.26 -4.96 105.19 108.88 2dmk n GLY 57 Ca -0.20 0.81 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 2dmk n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmk s GLN 58 N -1.73 0.25 0.24 1.61 -1.52 -1.26 -5.03 119.66 112.22 2dmk s GLN 58 Ca 0.27 0.26 -0.06 0.00 -1.95 0.00 0.00 55.36 53.89 2dmk s GLN 58 Cb -0.03 -0.94 0.36 0.00 -0.22 0.00 0.00 33.01 32.18 2dmk s GLN 58 CO 0.61 -0.69 1.80 0.00 -0.25 0.00 0.00 175.29 176.76 2dmk h ALA 59 N 8.27 1.09 -2.91 6.09 0.00 -2.02 -3.42 119.26 126.36 2dmk h ALA 59 Ca -0.17 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2dmk h ALA 59 Cb 1.15 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 2dmk h ALA 59 CO 0.28 0.05 -0.44 0.54 0.00 0.00 0.00 179.25 179.68 2dmk s ASN 60 N -5.57 -0.27 0.24 0.00 4.22 -1.26 -5.04 114.94 107.26 2dmk s ASN 60 Ca -0.12 0.62 -0.07 0.00 -2.14 0.00 0.00 52.86 51.15 2dmk s ASN 60 Cb 0.19 0.53 0.39 0.00 1.28 0.00 0.00 41.25 43.64 2dmk s ASN 60 CO 0.77 -0.18 1.34 0.33 -2.04 0.00 0.00 177.10 177.32 2dmk n PHE 61 N 4.35 0.30 -0.36 1.54 7.35 -1.26 -0.49 117.46 128.89 2dmk n PHE 61 Ca -0.23 1.04 -0.09 0.00 -0.76 0.00 0.00 57.45 57.41 2dmk n PHE 61 Cb 0.53 -0.99 -0.09 0.00 0.35 0.00 0.00 39.48 39.28 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 -5.39 -0.58 -0.32 -2.13 2.08 -1.26 0.59 119.36 112.34 2dmk n ILE 62 Ca 0.14 2.22 0.18 0.00 0.56 0.00 0.00 62.75 65.85 2dmk n ILE 62 Cb 0.43 -2.76 0.36 0.00 -0.75 0.00 0.00 39.64 36.91 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 -0.06 0.10 4.38 0.87 -1.21 0.64 113.55 118.27 2dmk h SER 63 Ca 0.14 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2dmk h SER 63 Cb 0.35 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2dmk h SER 63 CO -0.81 -0.27 -0.05 0.25 -0.53 0.00 0.00 176.83 175.42 2dmk h LEU 64 N 0.11 -0.12 -1.12 2.23 5.85 0.14 -3.27 115.31 119.13 2dmk h LEU 64 Ca 0.64 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.40 2dmk h LEU 64 Cb 1.41 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2dmk h LEU 64 CO -0.76 0.12 0.68 0.22 -0.34 0.00 0.00 178.44 178.35 2dmk h TYR 65 N -0.54 0.00 0.49 1.25 3.20 0.46 0.12 116.97 121.95 2dmk h TYR 65 Ca -0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2dmk h TYR 65 Cb 0.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2dmk h TYR 65 CO 0.02 0.00 -0.24 -0.91 -1.64 0.00 0.00 178.16 175.40 2dmk h ASN 66 N 0.00 -0.56 -0.78 -2.11 -0.26 0.23 -2.92 115.58 109.18 2dmk h ASN 66 Ca 0.06 0.02 -0.41 0.00 -0.56 0.00 0.00 56.30 55.40 2dmk h ASN 66 Cb 1.42 0.14 -0.15 0.00 -1.06 0.00 0.00 38.32 38.67 2dmk h ASN 66 CO -0.00 -0.40 0.25 -1.20 -1.06 0.00 0.00 177.43 175.02 2dmk n SER 67 N -5.37 6.24 0.18 5.81 7.64 0.03 -4.63 113.62 123.52 2dmk n SER 67 Ca -0.12 -3.05 0.17 0.00 1.01 0.00 0.00 58.87 56.89 2dmk n SER 67 Cb 0.28 -1.24 0.69 0.00 -1.01 0.00 0.00 64.21 62.93 2dmk n SER 67 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2dmk h VAL 68 N 1.83 0.16 0.00 0.44 2.07 -1.61 -0.30 116.25 118.84 2dmk h VAL 68 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 2dmk h VAL 68 Cb 0.89 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2dmk h VAL 68 CO 0.73 0.00 0.45 -0.78 0.02 0.00 0.00 177.57 177.99 2dmk h ASP 69 N 0.00 0.00 0.31 0.57 1.82 -1.89 0.55 116.42 117.78 2dmk h ASP 69 Ca 0.13 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.44 2dmk h ASP 69 Cb 1.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.15 2dmk h ASP 69 CO -0.00 0.00 -1.77 -1.28 -1.61 0.00 0.00 179.24 174.58 2dmk h SER 70 N 0.00 0.33 -1.93 2.28 0.87 -1.44 -3.48 113.55 110.19 2dmk h SER 70 Ca 0.00 -0.62 -0.53 0.00 -1.23 0.00 0.00 61.79 59.41 2dmk h SER 70 Cb 0.89 -0.11 0.23 0.00 -0.44 0.00 0.00 62.40 62.97 2dmk h SER 70 CO 0.00 1.54 -1.74 0.79 -0.53 0.00 0.00 176.83 176.89 2dmk n TRP 71 N -3.39 -4.86 -3.62 2.24 7.02 0.19 -4.94 117.44 110.08 2dmk n TRP 71 Ca -0.23 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 55.99 2dmk n TRP 71 Cb 1.05 -1.40 -0.03 0.00 -2.42 0.00 0.00 31.31 28.51 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -1.84 3.53 -0.02 -0.99 -1.94 0.94 -4.97 119.30 114.01 2dmk s MET 72 Ca 0.40 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.05 2dmk s MET 72 Cb -0.20 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 33.86 2dmk s MET 72 CO 0.79 0.34 0.06 0.42 -0.01 0.00 0.00 175.02 176.62 2dmk s ILE 73 N -1.96 -0.01 -0.38 2.53 1.09 -1.26 -2.70 121.20 118.51 2dmk s ILE 73 Ca 0.39 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 2dmk s ILE 73 Cb -0.11 -0.10 0.13 0.00 -1.06 0.00 0.00 42.46 41.33 2dmk s ILE 73 CO 0.30 0.01 0.20 -0.69 -0.10 0.00 0.00 174.94 174.66 2dmk s VAL 74 N 0.21 0.77 0.74 2.92 1.01 -1.10 -5.03 120.40 119.92 2dmk s VAL 74 Ca -0.02 -1.94 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 2dmk s VAL 74 Cb -0.02 -1.56 0.18 0.00 0.00 0.00 0.00 36.38 34.98 2dmk s VAL 74 CO -0.01 -0.88 0.66 -0.81 0.00 0.00 0.00 175.10 174.06 2dmk n PRO 75 N 4.06 -2.30 -3.27 2.72 -0.04 -1.26 -3.87 135.00 131.04 2dmk n PRO 75 Ca 0.07 -1.05 -0.16 0.00 -0.04 0.00 0.00 63.50 62.32 2dmk n PRO 75 Cb 0.37 -0.98 0.07 0.00 -0.04 0.00 0.00 33.50 32.92 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 -4.13 -3.29 -4.18 3.54 3.02 -1.26 -4.98 115.26 103.97 2dmk n ASN 76 Ca 0.09 -0.49 -0.39 0.00 -0.03 0.00 0.00 54.58 53.76 2dmk n ASN 76 Cb 0.35 -4.32 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 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 -3.29 3.83 -0.44 2.41 1.01 -1.24 -4.93 121.20 118.55 2dmk s ILE 77 Ca 0.17 -1.87 0.04 0.00 0.00 0.00 0.00 60.65 58.99 2dmk s ILE 77 Cb -0.08 -3.54 0.48 0.00 0.01 0.00 0.00 42.46 39.33 2dmk s ILE 77 CO 0.61 -0.72 1.59 0.29 0.00 0.00 0.00 174.94 176.71 2dmk n LYS 78 N 4.78 2.84 -4.40 2.79 4.76 -1.26 -1.75 118.16 125.92 2dmk n LYS 78 Ca -0.06 -3.59 -0.21 0.00 -2.87 0.00 0.00 58.31 51.58 2dmk n LYS 78 Cb 0.41 -2.18 -0.09 0.00 -1.84 0.00 0.00 35.03 31.33 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 -3.60 1.69 0.00 1.97 -2.07 -1.26 -5.04 119.66 111.35 2dmk s GLN 79 Ca 0.55 -1.98 0.25 0.00 -1.82 0.00 0.00 55.36 52.36 2dmk s GLN 79 Cb 0.45 -0.32 0.38 0.00 -1.09 0.00 0.00 33.01 32.43 2dmk s GLN 79 CO 0.02 -0.43 1.34 0.09 -1.32 0.00 0.00 175.29 174.99 2dmk n ASN 80 N -1.01 2.06 -3.65 12.60 4.13 -1.26 -4.86 115.26 123.27 2dmk n ASN 80 Ca -0.01 -1.55 -0.03 0.00 1.68 0.00 0.00 54.58 54.66 2dmk n ASN 80 Cb 0.65 0.18 -0.06 0.00 -1.54 0.00 0.00 39.78 39.02 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 -2.25 -1.20 -0.17 3.10 -3.43 -1.26 -1.90 115.29 108.19 2dmk s HIS 81 Ca 0.26 2.16 -0.01 0.00 -0.80 0.00 0.00 55.06 56.67 2dmk s HIS 81 Cb 0.19 0.69 -0.00 0.00 -1.43 0.00 0.00 32.58 32.03 2dmk s HIS 81 CO 0.44 -0.61 -0.13 -0.47 -2.00 0.00 0.00 174.74 171.97 2dmk s TYR 82 N 2.57 2.83 -0.28 0.38 6.14 -1.21 -4.96 117.35 122.81 2dmk s TYR 82 Ca -0.06 -0.97 -0.23 0.00 0.64 0.00 0.00 57.07 56.45 2dmk s TYR 82 Cb -0.11 -1.93 -0.01 0.00 0.42 0.00 0.00 41.96 40.34 2dmk s TYR 82 CO -0.18 -0.45 0.74 0.99 0.64 0.00 0.00 175.55 177.28 2dmk s THR 83 N 0.90 4.86 -0.27 4.34 2.01 -1.26 -3.51 115.64 122.71 2dmk s THR 83 Ca -0.03 1.21 -0.18 0.00 0.31 0.00 0.00 61.69 63.00 2dmk s THR 83 Cb -0.15 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2dmk s THR 83 CO -0.01 -0.14 0.53 -0.69 -0.69 0.00 0.00 174.62 173.63 2dmk s VAL 84 N 2.78 5.05 -0.00 3.82 1.01 -0.07 -4.94 120.40 128.04 2dmk s VAL 84 Ca 0.30 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 2dmk s VAL 84 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2dmk s VAL 84 CO 0.10 0.05 0.07 -1.00 0.00 0.00 0.00 175.10 174.33 2dmk s HIS 85 N 2.34 3.27 0.00 5.22 3.76 -1.26 -1.96 115.29 126.66 2dmk s HIS 85 Ca 0.22 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 2dmk s HIS 85 Cb -0.16 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.80 2dmk s HIS 85 CO 0.09 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.94 2dmk n GLY 86 N 1.21 0.70 3.87 -2.22 0.00 -0.85 -5.02 105.19 102.89 2dmk n GLY 86 Ca -0.13 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2dmk n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 87 N -0.12 2.73 -0.09 0.99 1.43 -0.97 -5.01 118.68 117.63 2dmk s LEU 87 Ca 0.00 -1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 51.81 2dmk s LEU 87 Cb 0.00 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2dmk s LEU 87 CO 0.00 -1.00 0.08 -1.10 0.23 0.00 0.00 176.35 174.56 2dmk s GLN 88 N -4.19 3.21 0.35 1.70 -1.52 -1.26 -4.39 119.66 113.56 2dmk s GLN 88 Ca 0.32 -0.28 -0.26 0.00 -1.95 0.00 0.00 55.36 53.19 2dmk s GLN 88 Cb -0.01 -2.99 -0.09 0.00 -0.22 0.00 0.00 33.01 29.69 2dmk s GLN 88 CO 0.20 0.73 1.00 -1.12 -0.25 0.00 0.00 175.29 175.85 2dmk s SER 89 N -1.04 7.11 -1.25 5.90 0.01 -0.52 -3.78 113.70 120.13 2dmk s SER 89 Ca 0.15 1.96 -0.06 0.00 1.31 0.00 0.00 55.95 59.31 2dmk s SER 89 Cb -0.12 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.53 2dmk s SER 89 CO 0.04 -0.23 1.08 0.61 0.41 0.00 0.00 173.24 175.15 2dmk n GLY 90 N 0.55 -0.43 2.97 3.44 0.00 -1.19 -4.92 105.19 105.61 2dmk n GLY 90 Ca 0.03 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.32 0.05 0.52 2.61 2.01 -1.25 -4.96 115.64 111.30 2dmk s THR 91 Ca 0.37 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 2dmk s THR 91 Cb -0.16 -0.19 -0.07 0.00 0.01 0.00 0.00 72.50 72.08 2dmk s THR 91 CO 0.70 -0.21 1.09 -0.13 -0.69 0.00 0.00 174.62 175.38 2dmk s ARG 92 N -0.64 3.53 -0.19 4.92 0.52 -1.26 -2.80 118.95 123.03 2dmk s ARG 92 Ca -0.07 1.51 -0.05 0.00 -0.52 0.00 0.00 55.73 56.61 2dmk s ARG 92 Cb -0.04 -2.04 0.10 0.00 0.52 0.00 0.00 34.95 33.48 2dmk s ARG 92 CO -0.00 -0.68 0.34 0.71 0.02 0.00 0.00 175.30 175.68 2dmk s TYR 93 N -1.85 -0.63 0.13 -0.53 2.02 0.15 -2.60 117.35 114.04 2dmk s TYR 93 Ca 0.71 1.00 -0.15 0.00 -0.37 0.00 0.00 57.07 58.26 2dmk s TYR 93 Cb -0.21 0.04 -0.07 0.00 -0.40 0.00 0.00 41.96 41.32 2dmk s TYR 93 CO 0.24 -0.53 0.54 0.42 -1.57 0.00 0.00 175.55 174.66 2dmk s ILE 94 N 2.50 4.85 0.01 2.71 1.01 -0.98 -1.71 121.20 129.59 2dmk s ILE 94 Ca 0.04 0.88 0.04 0.00 0.00 0.00 0.00 60.65 61.61 2dmk s ILE 94 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2dmk s ILE 94 CO -0.12 0.31 -0.12 -0.36 0.00 0.00 0.00 174.94 174.65 2dmk s PHE 95 N -1.39 1.02 -0.21 3.97 0.08 -0.85 -2.38 117.98 118.22 2dmk s PHE 95 Ca 0.36 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 2dmk s PHE 95 Cb -0.16 -0.64 0.10 0.00 -0.57 0.00 0.00 43.02 41.75 2dmk s PHE 95 CO 0.19 -0.01 0.22 0.42 -0.10 0.00 0.00 175.22 175.95 2dmk s ILE 96 N -0.48 -0.32 -0.21 0.64 1.01 0.68 -0.70 121.20 121.81 2dmk s ILE 96 Ca 0.03 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 2dmk s ILE 96 Cb -0.05 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 2dmk s ILE 96 CO 0.00 -0.25 0.88 -0.69 0.00 0.00 0.00 174.94 174.89 2dmk s VAL 97 N 2.32 4.81 -0.28 2.92 1.01 -1.26 -2.15 120.40 127.78 2dmk s VAL 97 Ca 0.07 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2dmk s VAL 97 Cb -0.16 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2dmk s VAL 97 CO -0.15 -0.06 -0.06 -0.75 0.00 0.00 0.00 175.10 174.09 2dmk s LYS 98 N 2.65 2.40 0.17 2.72 2.20 -0.68 -1.73 119.74 127.47 2dmk s LYS 98 Ca 0.39 -1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 54.43 2dmk s LYS 98 Cb -0.16 -3.03 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2dmk s LYS 98 CO 0.09 -0.57 1.06 0.00 -0.36 0.00 0.00 175.35 175.57 2dmk s ALA 99 N 1.20 3.34 -0.07 3.13 0.00 -0.86 -2.79 121.76 125.70 2dmk s ALA 99 Ca -0.06 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.70 2dmk s ALA 99 Cb -0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2dmk s ALA 99 CO -0.03 -0.14 -0.23 0.42 0.00 0.00 0.00 175.76 175.77 2dmk s ILE 100 N -0.24 2.22 0.18 0.00 1.09 -1.07 -1.04 121.20 122.34 2dmk s ILE 100 Ca 0.48 -1.00 0.04 0.00 -1.10 0.00 0.00 60.65 59.07 2dmk s ILE 100 Cb -0.28 -1.83 -0.01 0.00 -1.06 0.00 0.00 42.46 39.28 2dmk s ILE 100 CO 0.34 0.57 0.16 -0.46 -0.10 0.00 0.00 174.94 175.45 2dmk n ASN 101 N 3.02 -0.42 -0.14 3.58 0.23 -0.26 -1.63 115.26 119.64 2dmk n ASN 101 Ca -0.18 -2.19 0.07 0.00 -0.53 0.00 0.00 54.58 51.75 2dmk n ASN 101 Cb 0.52 0.96 0.39 0.00 -2.08 0.00 0.00 39.78 39.57 2dmk n ASN 101 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2dmk h GLN 102 N 0.00 0.65 0.00 -3.83 5.75 -1.98 -3.22 115.11 112.49 2dmk h GLN 102 Ca -0.13 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2dmk h GLN 102 Cb 0.66 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.06 2dmk h GLN 102 CO 0.19 0.43 0.00 0.00 -2.65 0.00 0.00 178.83 176.80 2dmk n ALA 103 N -2.46 -0.21 -2.04 3.38 0.00 -1.26 -5.06 120.51 112.86 2dmk n ALA 103 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2dmk n ALA 103 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 3.37 3.05 0.00 0.00 -1.22 -4.98 105.19 105.95 2dmk n GLY 104 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 1.96 0.12 -0.24 1.61 1.04 -1.26 -1.11 113.70 115.83 2dmk s SER 105 Ca 0.00 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 2dmk s SER 105 Cb 0.00 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.35 2dmk s SER 105 CO 0.00 -0.33 0.02 -0.60 0.98 0.00 0.00 173.24 173.30 2dmk s ARG 106 N -1.40 1.09 0.01 4.02 6.06 -0.20 -4.80 118.95 123.73 2dmk s ARG 106 Ca -0.15 -0.87 -0.27 0.00 -2.50 0.00 0.00 55.73 51.94 2dmk s ARG 106 Cb -0.09 -2.33 -0.04 0.00 0.06 0.00 0.00 34.95 32.55 2dmk s ARG 106 CO 0.00 -0.72 0.84 1.21 -2.50 0.00 0.00 175.30 174.13 2dmk s ASN 107 N 1.57 7.24 0.86 -2.12 2.47 -1.26 -2.03 114.94 121.67 2dmk s ASN 107 Ca 0.00 1.49 -0.09 0.00 0.42 0.00 0.00 52.86 54.68 2dmk s ASN 107 Cb -0.18 -2.50 0.17 0.00 -1.45 0.00 0.00 41.25 37.30 2dmk s ASN 107 CO -0.11 -0.11 1.19 -0.94 -3.72 0.00 0.00 177.10 173.40 2dmk s SER 108 N 0.50 3.60 0.51 -4.21 1.04 -0.71 -4.98 113.70 109.46 2dmk s SER 108 Ca 0.43 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 2dmk s SER 108 Cb -0.20 -0.12 -0.07 0.00 0.10 0.00 0.00 66.02 65.72 2dmk s SER 108 CO 0.24 -2.39 1.04 -1.61 0.98 0.00 0.00 173.24 171.51 2dmk s GLU 109 N -5.57 3.70 -0.18 4.02 0.41 -1.26 -4.74 118.70 115.08 2dmk s GLU 109 Ca 0.71 1.33 -0.29 0.00 -0.41 0.00 0.00 54.97 56.31 2dmk s GLU 109 Cb -0.04 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 2dmk s GLU 109 CO 0.49 -0.51 1.58 -1.25 -0.49 0.00 0.00 175.26 175.08 2dmk s PRO 110 N -3.41 3.94 -0.46 0.39 0.04 -1.26 -4.62 135.00 129.62 2dmk s PRO 110 Ca 0.67 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 2dmk s PRO 110 Cb -0.16 -3.99 0.04 0.00 0.04 0.00 0.00 34.50 30.43 2dmk s PRO 110 CO 0.24 -1.11 0.49 0.99 0.04 0.00 0.00 177.00 177.65 2dmk s THR 111 N 4.70 5.04 -0.01 1.26 2.01 0.12 -4.89 115.64 123.88 2dmk s THR 111 Ca 0.70 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2dmk s THR 111 Cb -0.26 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2dmk s THR 111 CO 0.27 -0.58 1.27 -0.13 -0.69 0.00 0.00 174.62 174.76 2dmk s ARG 112 N 2.22 4.35 0.03 4.92 1.81 -1.26 -2.01 118.95 129.01 2dmk s ARG 112 Ca 0.12 1.80 0.02 0.00 -1.72 0.00 0.00 55.73 55.94 2dmk s ARG 112 Cb -0.19 -3.50 -0.02 0.00 -0.45 0.00 0.00 34.95 30.79 2dmk s ARG 112 CO 0.12 -0.44 -0.07 -0.51 -0.68 0.00 0.00 175.30 173.72 2dmk s LEU 113 N 1.96 2.18 -0.06 2.53 1.43 -0.70 -5.00 118.68 121.04 2dmk s LEU 113 Ca 0.59 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2dmk s LEU 113 Cb -0.28 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2dmk s LEU 113 CO 0.25 -0.12 -0.24 -0.54 0.23 0.00 0.00 176.35 175.93 2dmk s LYS 114 N -1.14 2.48 0.53 1.70 1.02 -1.26 0.33 119.74 123.40 2dmk s LYS 114 Ca -0.06 -0.87 -0.10 0.00 0.02 0.00 0.00 55.97 54.95 2dmk s LYS 114 Cb -0.08 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 2dmk s LYS 114 CO 0.00 0.36 0.92 0.95 -0.92 0.00 0.00 175.35 176.66 2dmk s THR 115 N -0.13 4.74 0.10 2.17 -4.23 -1.12 -4.61 115.64 112.56 2dmk s THR 115 Ca -0.04 0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 60.88 2dmk s THR 115 Cb -0.14 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.80 2dmk s THR 115 CO 0.04 -0.89 1.55 0.20 -0.54 0.00 0.00 174.62 174.98 2dmk s ASN 116 N -3.80 6.66 0.00 3.99 0.01 -1.24 -3.69 114.94 116.87 2dmk s ASN 116 Ca 0.53 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 55.14 2dmk s ASN 116 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2dmk s ASN 116 CO 0.44 -0.81 0.54 -0.24 -1.51 0.00 0.00 177.10 175.52 2dmk n SER 117 N 4.78 0.00 -3.98 -1.22 2.88 -1.26 -3.15 113.62 111.67 2dmk n SER 117 Ca 0.14 0.54 -0.17 0.00 -1.33 0.00 0.00 58.87 58.05 2dmk n SER 117 Cb 0.40 -0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 2dmk n SER 117 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dmk s GLN 118 N -2.08 0.53 0.90 -1.46 0.74 -1.26 -3.22 119.66 113.81 2dmk s GLN 118 Ca 0.00 -0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.03 2dmk s GLN 118 Cb 0.00 -0.52 0.22 0.00 1.10 0.00 0.00 33.01 33.82 2dmk s GLN 118 CO 0.00 0.14 0.80 -0.35 -0.55 0.00 0.00 175.29 175.32 2dmk n PRO 119 N 2.94 -2.58 -2.02 1.67 -0.04 -1.26 -4.97 135.00 128.73 2dmk n PRO 119 Ca -0.13 -1.28 -0.40 0.00 -0.04 0.00 0.00 63.50 61.65 2dmk n PRO 119 Cb 0.58 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.83 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 -2.44 2.82 -0.17 0.54 2.19 -1.26 -4.98 117.98 114.68 2dmk s PHE 120 Ca 0.52 1.37 -0.21 0.00 0.33 0.00 0.00 56.93 58.94 2dmk s PHE 120 Cb -0.05 -3.73 -0.03 0.00 -1.31 0.00 0.00 43.02 37.90 2dmk s PHE 120 CO 0.40 -2.20 0.61 0.21 1.83 0.00 0.00 175.22 176.07 2dmk s LYS 121 N -2.13 4.26 -0.30 10.12 2.36 -1.26 -5.02 119.74 127.77 2dmk s LYS 121 Ca 0.55 0.62 -0.29 0.00 -2.55 0.00 0.00 55.97 54.30 2dmk s LYS 121 Cb -0.40 -3.54 -0.00 0.00 -1.05 0.00 0.00 37.83 32.84 2dmk s LYS 121 CO 0.52 -0.14 1.40 -1.54 1.55 0.00 0.00 175.35 177.14 2dmk s SER 122 N 1.06 6.53 0.00 1.43 1.04 -1.26 -4.50 113.70 118.00 2dmk s SER 122 Ca 0.29 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2dmk s SER 122 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2dmk s SER 122 CO 0.11 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2dmk n GLY 123 N 4.54 -0.13 0.00 7.32 0.00 -1.26 -4.89 105.19 110.76 2dmk n GLY 123 Ca 0.16 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.17 2dmk n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmk n PRO 124 N 0.00 0.49 -0.33 1.61 -0.04 -1.26 -3.91 135.00 131.56 2dmk n PRO 124 Ca 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.71 2dmk n PRO 124 Cb 0.00 -1.34 0.47 0.00 -0.04 0.00 0.00 33.50 32.58 2dmk n PRO 124 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmk h SER 125 N 0.00 0.04 -4.48 3.54 0.87 -1.90 -3.40 113.55 108.20 2dmk h SER 125 Ca 0.00 0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 2dmk h SER 125 Cb 0.00 0.34 -0.20 0.00 -0.44 0.00 0.00 62.40 62.10 2dmk h SER 125 CO 0.00 -0.38 0.14 -0.94 -0.53 0.00 0.00 176.83 175.12 2dmk s SER 126 N -4.74 -0.69 0.00 6.23 1.04 -1.25 -5.12 113.70 109.16 2dmk s SER 126 Ca -0.11 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2dmk s SER 126 Cb 0.32 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.43 2dmk s SER 126 CO 0.78 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.19