#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 1.86 -4.54 1.61 2.88 -1.26 -4.98 113.62 109.19 2dmk n SER 2 Ca 0.00 0.32 -0.49 0.00 -1.33 0.00 0.00 58.87 57.37 2dmk n SER 2 Cb 0.00 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.69 2dmk n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dmk n SER 3 N -4.30 0.79 0.00 -3.46 2.88 -1.26 -4.51 113.62 103.76 2dmk n SER 3 Ca -0.29 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2dmk n SER 3 Cb 0.64 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 1.80 0.41 2.34 0.46 0.00 -1.26 -4.90 105.19 104.05 2dmk n GLY 4 Ca 0.15 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmk n SER 5 N 0.00 6.46 0.13 1.61 2.88 -1.26 -4.62 113.62 118.81 2dmk n SER 5 Ca 0.00 -3.16 -0.14 0.00 -1.33 0.00 0.00 58.87 54.24 2dmk n SER 5 Cb 0.00 -1.19 -0.08 0.00 -0.75 0.00 0.00 64.21 62.19 2dmk n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dmk h SER 6 N 2.64 -0.20 -0.02 -3.46 0.02 -1.91 -3.48 113.55 107.14 2dmk h SER 6 Ca 0.37 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2dmk h SER 6 Cb 0.79 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2dmk h SER 6 CO 0.84 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2dmk n GLY 7 N -1.16 3.63 2.80 -3.77 0.00 -1.26 -5.16 105.19 100.28 2dmk n GLY 7 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2dmk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmk s GLU 8 N -1.86 -0.00 0.17 1.61 2.56 -1.26 -5.12 118.70 114.79 2dmk s GLU 8 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 54.97 55.05 2dmk s GLU 8 Cb 0.00 -0.28 -0.15 0.00 2.00 0.00 0.00 34.13 35.70 2dmk s GLU 8 CO 0.00 -0.22 0.46 0.41 -0.56 0.00 0.00 175.26 175.36 2dmk n GLY 9 N 4.55 -1.46 2.56 -1.50 0.00 -1.26 -4.97 105.19 103.11 2dmk n GLY 9 Ca -0.20 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 1.70 0.00 -1.51 0.99 4.77 -1.26 -5.03 117.00 116.66 2dmk n LEU 10 Ca 0.16 -2.07 0.11 0.00 -0.03 0.00 0.00 56.01 54.17 2dmk n LEU 10 Cb 0.21 0.10 0.35 0.00 -2.33 0.00 0.00 43.42 41.75 2dmk n LEU 10 CO 0.48 -0.40 0.80 -0.90 -1.33 0.00 0.00 177.39 176.04 2dmk n ASP 11 N -1.57 4.44 -4.74 -1.43 5.68 -1.26 -4.94 116.55 112.72 2dmk n ASP 11 Ca -0.08 -2.23 -0.40 0.00 -0.50 0.00 0.00 54.79 51.58 2dmk n ASP 11 Cb 0.44 -0.55 -0.05 0.00 -1.14 0.00 0.00 41.12 39.82 2dmk n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2dmk s TYR 12 N -1.44 3.71 -0.07 2.11 -0.85 -1.26 -4.95 117.35 114.60 2dmk s TYR 12 Ca 0.51 1.44 0.13 0.00 -0.52 0.00 0.00 57.07 58.63 2dmk s TYR 12 Cb 0.30 -2.82 0.25 0.00 0.38 0.00 0.00 41.96 40.07 2dmk s TYR 12 CO 0.29 0.24 1.12 -0.11 -1.52 0.00 0.00 175.55 175.57 2dmk n LEU 13 N 2.98 1.36 0.27 -3.49 7.94 -1.26 -4.87 117.00 119.94 2dmk n LEU 13 Ca -0.02 -2.33 -0.16 0.00 -1.11 0.00 0.00 56.01 52.38 2dmk n LEU 13 Cb 0.50 -0.21 -0.08 0.00 0.53 0.00 0.00 43.42 44.16 2dmk n LEU 13 CO 0.47 0.65 0.68 0.71 -1.11 0.00 0.00 177.39 178.79 2dmk h THR 14 N 4.01 0.41 -4.00 1.96 1.35 -1.96 -3.41 112.91 111.28 2dmk h THR 14 Ca -0.05 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.61 2dmk h THR 14 Cb 1.33 0.41 -0.20 0.00 -1.73 0.00 0.00 68.15 67.97 2dmk h THR 14 CO 0.02 0.00 -0.71 0.00 -0.25 0.00 0.00 175.52 174.59 2dmk s ALA 15 N -6.06 0.37 0.08 6.62 0.00 -1.26 -4.40 121.76 117.11 2dmk s ALA 15 Ca -0.17 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 2dmk s ALA 15 Cb 0.05 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 2dmk s ALA 15 CO 0.63 -0.15 1.38 -1.25 0.00 0.00 0.00 175.76 176.37 2dmk s PRO 16 N -1.99 4.32 0.19 0.00 0.04 -1.26 -4.95 135.00 131.35 2dmk s PRO 16 Ca -0.09 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 62.65 2dmk s PRO 16 Cb -0.07 -3.34 -0.14 0.00 0.04 0.00 0.00 34.50 30.99 2dmk s PRO 16 CO -0.02 -0.46 1.38 0.09 0.04 0.00 0.00 177.00 178.03 2dmk n ASN 17 N 4.33 2.39 -4.69 6.66 4.13 -1.26 -4.48 115.26 122.33 2dmk n ASN 17 Ca 0.12 1.13 -0.42 0.00 1.68 0.00 0.00 54.58 57.08 2dmk n ASN 17 Cb 0.43 -1.36 -0.03 0.00 -1.54 0.00 0.00 39.78 37.29 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmk s PRO 18 N -0.06 4.28 0.91 3.52 0.04 -1.26 -4.83 135.00 137.59 2dmk s PRO 18 Ca 0.73 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.68 2dmk s PRO 18 Cb -0.73 -3.53 0.14 0.00 0.04 0.00 0.00 34.50 30.41 2dmk s PRO 18 CO 0.48 -0.57 1.09 -1.25 0.04 0.00 0.00 177.00 176.78 2dmk s PRO 19 N 2.25 1.14 -0.28 0.56 0.04 -1.26 -4.96 135.00 132.48 2dmk s PRO 19 Ca 0.65 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.49 2dmk s PRO 19 Cb -0.33 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2dmk s PRO 19 CO 0.28 -2.31 -0.01 -1.12 0.04 0.00 0.00 177.00 173.87 2dmk s SER 20 N -3.43 4.32 -0.32 6.66 0.01 0.09 -4.74 113.70 116.29 2dmk s SER 20 Ca 0.64 -1.61 -0.28 0.00 1.31 0.00 0.00 55.95 56.00 2dmk s SER 20 Cb -0.18 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 2dmk s SER 20 CO 0.57 -0.29 1.88 -0.63 0.41 0.00 0.00 173.24 175.18 2dmk s ILE 21 N 1.19 3.39 -1.23 1.44 1.01 -1.26 -0.60 121.20 125.14 2dmk s ILE 21 Ca 0.01 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.84 2dmk s ILE 21 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2dmk s ILE 21 CO -0.09 -0.35 1.86 -0.13 0.00 0.00 0.00 174.94 176.23 2dmk s ARG 22 N 5.86 3.06 0.55 2.79 1.81 0.20 -4.75 118.95 128.47 2dmk s ARG 22 Ca 0.83 -1.49 0.28 0.00 -1.72 0.00 0.00 55.73 53.63 2dmk s ARG 22 Cb -0.24 -5.36 1.46 0.00 -0.45 0.00 0.00 34.95 30.36 2dmk s ARG 22 CO 0.33 -3.34 1.95 0.93 -0.68 0.00 0.00 175.30 174.50 2dmk h GLU 23 N 8.89 0.00 -0.40 3.54 3.07 -1.90 0.20 114.58 127.98 2dmk h GLU 23 Ca 0.31 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 2dmk h GLU 23 Cb 0.91 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 2dmk h GLU 23 CO 1.31 0.00 -0.14 1.05 -1.40 0.00 0.00 179.01 179.83 2dmk h GLU 24 N 0.00 0.73 0.00 2.33 4.11 -1.95 -2.94 114.58 116.86 2dmk h GLU 24 Ca 0.27 -0.25 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 2dmk h GLU 24 Cb 1.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2dmk h GLU 24 CO -0.00 0.84 -1.00 -0.07 0.07 0.00 0.00 179.01 178.85 2dmk h LEU 25 N 0.66 0.00 -9.59 3.06 3.38 -1.06 -3.47 115.31 108.29 2dmk h LEU 25 Ca 0.11 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.49 2dmk h LEU 25 Cb 0.62 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.50 2dmk h LEU 25 CO 0.04 0.49 0.02 0.00 0.09 0.00 0.00 178.44 179.08 2dmk s THR 27 N -1.35 0.93 -0.07 0.00 -4.23 -0.63 -5.00 115.64 105.30 2dmk s THR 27 Ca 0.64 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2dmk s THR 27 Cb -0.55 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2dmk s THR 27 CO 0.56 0.27 -0.16 0.00 -0.54 0.00 0.00 174.62 174.75 2dmk s ALA 28 N -0.19 2.56 0.24 3.99 0.00 -1.26 -1.18 121.76 125.92 2dmk s ALA 28 Ca 0.03 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2dmk s ALA 28 Cb -0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2dmk s ALA 28 CO -0.00 0.45 0.01 -1.12 0.00 0.00 0.00 175.76 175.10 2dmk s SER 29 N -0.35 1.82 0.00 0.00 0.01 0.29 -4.54 113.70 110.93 2dmk s SER 29 Ca 0.03 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2dmk s SER 29 Cb -0.12 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2dmk s SER 29 CO 0.02 -0.54 0.73 0.00 0.41 0.00 0.00 173.24 173.86 2dmk n HIS 30 N -0.45 0.00 -2.04 2.43 1.44 -1.26 -2.73 115.22 112.61 2dmk n HIS 30 Ca -0.04 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.48 2dmk n HIS 30 Cb 0.64 -0.33 0.04 0.00 0.12 0.00 0.00 29.99 30.46 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2dmk n ASP 31 N -2.50 4.25 -3.63 4.39 5.68 -1.26 -3.79 116.55 119.70 2dmk n ASP 31 Ca 0.00 -3.61 -0.16 0.00 -0.50 0.00 0.00 54.79 50.52 2dmk n ASP 31 Cb 0.00 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 39.53 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dmk s THR 32 N -4.33 0.02 -0.11 2.12 -4.23 -1.10 -2.96 115.64 105.05 2dmk s THR 32 Ca 0.47 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 2dmk s THR 32 Cb 0.40 -0.83 0.05 0.00 1.34 0.00 0.00 72.50 73.46 2dmk s THR 32 CO 0.02 -0.09 0.26 -0.63 -0.54 0.00 0.00 174.62 173.64 2dmk s ILE 33 N -0.96 -0.12 -0.36 2.99 1.01 -0.88 0.10 121.20 122.98 2dmk s ILE 33 Ca -0.10 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2dmk s ILE 33 Cb -0.02 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.09 2dmk s ILE 33 CO 0.06 0.07 0.14 -0.89 0.00 0.00 0.00 174.94 174.33 2dmk s THR 34 N 1.53 3.85 -0.18 2.92 2.01 -0.32 -0.87 115.64 124.58 2dmk s THR 34 Ca -0.07 -1.24 -0.15 0.00 0.31 0.00 0.00 61.69 60.54 2dmk s THR 34 Cb -0.11 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2dmk s THR 34 CO -0.09 -0.28 0.37 -0.69 -0.69 0.00 0.00 174.62 173.25 2dmk s VAL 35 N 1.39 5.23 -0.21 3.82 1.01 -1.23 -1.60 120.40 128.81 2dmk s VAL 35 Ca -0.00 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2dmk s VAL 35 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2dmk s VAL 35 CO 0.02 0.30 0.03 -1.00 0.00 0.00 0.00 175.10 174.46 2dmk s HIS 36 N 0.97 3.09 -0.01 5.22 3.76 -1.26 -3.29 115.29 123.78 2dmk s HIS 36 Ca 0.19 -0.32 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 2dmk s HIS 36 Cb -0.14 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 2dmk s HIS 36 CO 0.07 -0.18 -0.17 1.67 -0.85 0.00 0.00 174.74 175.28 2dmk s TRP 37 N 1.02 2.61 -0.07 1.40 -2.14 -1.10 0.58 118.94 121.24 2dmk s TRP 37 Ca 0.03 -0.23 0.04 0.00 2.66 0.00 0.00 56.10 58.60 2dmk s TRP 37 Cb -0.14 -1.54 -0.02 0.00 -3.10 0.00 0.00 33.47 28.67 2dmk s TRP 37 CO 0.02 0.20 -0.19 -1.50 -2.66 0.00 0.00 176.95 172.82 2dmk s ILE 38 N -0.81 2.62 0.04 0.66 1.10 0.23 -4.84 121.20 120.20 2dmk s ILE 38 Ca 0.13 -0.86 0.02 0.00 -0.51 0.00 0.00 60.65 59.44 2dmk s ILE 38 Cb -0.11 -2.02 -0.02 0.00 0.15 0.00 0.00 42.46 40.47 2dmk s ILE 38 CO 0.03 0.56 -0.08 -0.55 -2.11 0.00 0.00 174.94 172.79 2dmk s SER 39 N -0.19 0.93 0.09 4.50 0.15 -1.26 -0.73 113.70 117.18 2dmk s SER 39 Ca -0.01 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 2dmk s SER 39 Cb -0.13 0.01 -0.26 0.00 -1.71 0.00 0.00 66.02 63.93 2dmk s SER 39 CO 0.03 -0.14 1.17 -2.24 1.20 0.00 0.00 173.24 173.26 2dmk h ASP 40 N 4.72 0.41 -2.63 5.45 2.03 -1.95 -3.43 116.42 121.01 2dmk h ASP 40 Ca -0.35 -0.42 -0.41 0.00 -0.73 0.00 0.00 57.03 55.12 2dmk h ASP 40 Cb 1.20 -0.13 -0.38 0.00 -0.83 0.00 0.00 39.33 39.19 2dmk h ASP 40 CO 0.42 1.32 -0.70 -1.81 -1.03 0.00 0.00 179.24 177.44 2dmk s ASP 41 N -7.12 2.24 -0.17 4.15 1.11 -1.26 -4.99 116.67 110.64 2dmk s ASP 41 Ca -0.04 -0.71 0.16 0.00 0.18 0.00 0.00 52.55 52.14 2dmk s ASP 41 Cb 0.07 0.07 0.39 0.00 1.07 0.00 0.00 42.92 44.53 2dmk s ASP 41 CO 0.88 -0.38 1.26 -1.84 1.18 0.00 0.00 175.17 176.27 2dmk n GLU 42 N 5.29 1.80 0.10 8.23 0.28 -1.26 -4.64 120.64 130.44 2dmk n GLU 42 Ca -0.05 -2.81 -0.22 0.00 -0.16 0.00 0.00 57.16 53.92 2dmk n GLU 42 Cb 0.47 -1.64 -0.15 0.00 1.43 0.00 0.00 31.44 31.55 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 0.70 0.73 0.03 -1.84 -1.00 -2.00 -3.36 116.94 110.21 2dmk h PHE 43 Ca 0.02 -0.53 -0.23 0.00 2.81 0.00 0.00 57.97 60.04 2dmk h PHE 43 Cb 1.18 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 40.73 2dmk h PHE 43 CO 0.34 1.54 -0.91 0.77 -1.61 0.00 0.00 178.31 178.44 2dmk h SER 44 N 0.11 0.75 -1.07 2.17 0.02 -2.01 -3.45 113.55 110.08 2dmk h SER 44 Ca -0.28 -0.77 -0.72 0.00 -0.84 0.00 0.00 61.79 59.18 2dmk h SER 44 Cb 2.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 2dmk h SER 44 CO 0.21 1.43 1.18 -0.38 -1.14 0.00 0.00 176.83 178.13 2dmk n ILE 45 N -3.99 0.20 -0.11 3.27 5.41 -1.26 -4.69 119.36 118.19 2dmk n ILE 45 Ca -0.11 -0.12 0.05 0.00 1.00 0.00 0.00 62.75 63.56 2dmk n ILE 45 Cb 0.82 -1.24 0.37 0.00 -0.71 0.00 0.00 39.64 38.88 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 9.53 0.60 -4.80 4.38 0.02 -1.72 -3.46 113.55 118.11 2dmk h SER 46 Ca -0.32 -0.01 0.21 0.00 -0.84 0.00 0.00 61.79 60.83 2dmk h SER 46 Cb 1.34 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 2dmk h SER 46 CO 1.01 0.42 0.67 -0.94 -1.14 0.00 0.00 176.83 176.85 2dmk s SER 47 N -6.44 -0.20 0.20 3.07 1.04 -1.12 -5.03 113.70 105.22 2dmk s SER 47 Ca -0.09 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.31 2dmk s SER 47 Cb 0.18 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2dmk s SER 47 CO 0.76 -0.46 0.16 -0.31 0.98 0.00 0.00 173.24 174.37 2dmk s TYR 48 N -2.76 3.14 0.07 5.02 2.02 0.93 -2.50 117.35 123.26 2dmk s TYR 48 Ca 0.09 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2dmk s TYR 48 Cb 0.00 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 2dmk s TYR 48 CO -0.05 0.52 -0.15 -2.00 -1.57 0.00 0.00 175.55 172.30 2dmk s GLU 49 N -3.40 0.87 -0.05 -0.62 -6.30 -1.04 -3.39 118.70 104.77 2dmk s GLU 49 Ca 0.32 -0.93 0.04 0.00 -2.50 0.00 0.00 54.97 51.89 2dmk s GLU 49 Cb -0.09 -0.90 -0.00 0.00 0.00 0.00 0.00 34.13 33.14 2dmk s GLU 49 CO 0.24 0.20 -0.17 -1.17 0.02 0.00 0.00 175.26 174.39 2dmk s LEU 50 N -1.63 1.89 -0.20 2.70 2.96 -1.25 -2.13 118.68 121.02 2dmk s LEU 50 Ca -0.01 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2dmk s LEU 50 Cb -0.10 -0.95 0.04 0.00 0.50 0.00 0.00 46.19 45.68 2dmk s LEU 50 CO 0.02 0.14 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.00 2dmk s GLN 51 N 0.12 1.84 0.04 1.98 -0.21 -1.01 -2.27 119.66 120.16 2dmk s GLN 51 Ca -0.06 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 54.61 2dmk s GLN 51 Cb -0.12 -2.35 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 2dmk s GLN 51 CO 0.03 -0.45 -0.20 1.52 -2.12 0.00 0.00 175.29 174.06 2dmk s TYR 52 N 1.45 1.79 -0.26 0.91 1.13 -0.87 -1.32 117.35 120.18 2dmk s TYR 52 Ca -0.01 -0.37 -0.25 0.00 -1.41 0.00 0.00 57.07 55.02 2dmk s TYR 52 Cb -0.16 -1.07 0.08 0.00 -1.10 0.00 0.00 41.96 39.71 2dmk s TYR 52 CO -0.08 0.09 0.78 -0.08 -2.51 0.00 0.00 175.55 173.75 2dmk s THR 53 N -0.80 0.00 0.07 -3.49 -1.32 -1.12 -1.79 115.64 107.19 2dmk s THR 53 Ca 0.07 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.24 2dmk s THR 53 Cb -0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 2dmk s THR 53 CO 0.02 0.00 1.62 -0.63 -2.21 0.00 0.00 174.62 173.41 2dmk s ILE 54 N 0.23 3.07 -0.24 5.08 1.01 -1.26 -2.60 121.20 126.48 2dmk s ILE 54 Ca -0.00 0.55 -0.13 0.00 0.00 0.00 0.00 60.65 61.07 2dmk s ILE 54 Cb -0.05 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2dmk s ILE 54 CO 0.00 0.00 0.27 0.12 0.00 0.00 0.00 174.94 175.33 2dmk s PHE 55 N 2.45 3.31 0.28 3.97 2.19 -0.80 -4.96 117.98 124.41 2dmk s PHE 55 Ca 0.72 0.35 0.05 0.00 0.33 0.00 0.00 56.93 58.39 2dmk s PHE 55 Cb -0.39 -2.41 -0.02 0.00 -1.31 0.00 0.00 43.02 38.89 2dmk s PHE 55 CO 0.32 -0.04 0.26 0.25 1.83 0.00 0.00 175.22 177.84 2dmk n THR 56 N 4.55 0.00 -0.78 0.12 -2.24 -1.26 -4.46 114.28 110.22 2dmk n THR 56 Ca -0.12 -1.97 -0.12 0.00 -2.27 0.00 0.00 64.05 59.57 2dmk n THR 56 Cb 0.52 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.53 3.67 0.14 3.38 0.00 -1.26 -4.43 105.19 106.17 2dmk n GLY 57 Ca 0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2dmk n GLY 57 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dmk h GLN 58 N 1.34 0.40 -1.98 1.61 3.07 -1.99 -3.48 115.11 114.08 2dmk h GLN 58 Ca 0.21 -0.15 0.27 0.00 0.09 0.00 0.00 58.65 59.07 2dmk h GLN 58 Cb 0.94 -0.02 -0.08 0.00 0.08 0.00 0.00 27.48 28.40 2dmk h GLN 58 CO 0.56 0.65 0.74 0.00 0.09 0.00 0.00 178.83 180.87 2dmk s ALA 59 N -4.74 -2.07 0.11 0.06 0.00 -1.26 -5.12 121.76 108.73 2dmk s ALA 59 Ca -0.14 0.23 -0.35 0.00 0.00 0.00 0.00 51.96 51.70 2dmk s ALA 59 Cb 0.07 0.62 -0.17 0.00 0.00 0.00 0.00 23.12 23.63 2dmk s ALA 59 CO 0.75 -1.08 1.08 0.09 0.00 0.00 0.00 175.76 176.60 2dmk n ASN 60 N -0.78 0.67 -0.29 0.00 3.02 -1.26 -4.70 115.26 111.91 2dmk n ASN 60 Ca -0.04 1.14 0.11 0.00 -0.03 0.00 0.00 54.58 55.76 2dmk n ASN 60 Cb 0.61 -1.09 0.25 0.00 -0.61 0.00 0.00 39.78 38.94 2dmk n ASN 60 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2dmk h PHE 61 N 3.17 0.21 0.21 3.10 3.57 -2.00 0.15 116.94 125.35 2dmk h PHE 61 Ca -0.44 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 2dmk h PHE 61 Cb 1.38 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 2dmk h PHE 61 CO 0.54 -0.24 -0.11 0.82 -2.23 0.00 0.00 178.31 177.10 2dmk h ILE 62 N 0.16 0.77 -0.38 1.41 1.08 -1.97 0.12 117.51 118.70 2dmk h ILE 62 Ca 0.52 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.06 2dmk h ILE 62 Cb 1.01 0.77 -0.09 0.00 -3.07 0.00 0.00 36.82 35.44 2dmk h ILE 62 CO -0.68 0.00 -0.37 0.28 -0.69 0.00 0.00 178.15 176.69 2dmk h SER 63 N -0.30 -1.21 0.59 1.72 0.02 -1.32 0.60 113.55 113.64 2dmk h SER 63 Ca -0.02 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2dmk h SER 63 Cb 0.24 0.55 0.01 0.00 0.14 0.00 0.00 62.40 63.33 2dmk h SER 63 CO 0.04 -0.34 -0.28 0.25 -1.14 0.00 0.00 176.83 175.35 2dmk h LEU 64 N -0.29 -0.67 -1.97 5.07 5.85 -1.27 -2.56 115.31 119.47 2dmk h LEU 64 Ca 0.15 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.00 2dmk h LEU 64 Cb 0.56 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2dmk h LEU 64 CO -0.54 -0.39 0.48 0.22 -0.34 0.00 0.00 178.44 177.87 2dmk h TYR 65 N -0.91 0.00 -0.34 1.25 3.20 -0.35 0.24 116.97 120.07 2dmk h TYR 65 Ca -0.08 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2dmk h TYR 65 Cb 0.64 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2dmk h TYR 65 CO -0.01 0.00 -0.03 -0.97 -1.64 0.00 0.00 178.16 175.51 2dmk h ASN 66 N 0.00 0.51 -3.99 -2.11 -0.73 0.63 -3.34 115.58 106.55 2dmk h ASN 66 Ca 0.24 -0.10 -0.74 0.00 1.87 0.00 0.00 56.30 57.57 2dmk h ASN 66 Cb 1.21 -0.13 -0.31 0.00 0.27 0.00 0.00 38.32 39.35 2dmk h ASN 66 CO -0.00 0.60 -0.15 -0.44 -0.37 0.00 0.00 177.43 177.07 2dmk s SER 67 N -6.74 5.92 -0.06 1.15 0.01 0.86 -4.93 113.70 109.91 2dmk s SER 67 Ca -0.08 -2.87 -0.02 0.00 1.31 0.00 0.00 55.95 54.30 2dmk s SER 67 Cb 0.15 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 2dmk s SER 67 CO 0.77 -0.43 2.40 1.33 0.41 0.00 0.00 173.24 177.71 2dmk n VAL 68 N 3.57 2.37 0.03 3.43 0.24 -1.26 -4.11 118.33 122.61 2dmk n VAL 68 Ca 0.12 -0.97 -0.12 0.00 -2.04 0.00 0.00 64.34 61.33 2dmk n VAL 68 Cb 0.41 -1.59 -0.14 0.00 -1.47 0.00 0.00 33.84 31.05 2dmk n VAL 68 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2dmk h ASP 69 N 1.58 0.15 0.14 -1.34 2.03 -1.91 -3.37 116.42 113.70 2dmk h ASP 69 Ca 0.09 -0.23 -0.34 0.00 -0.73 0.00 0.00 57.03 55.82 2dmk h ASP 69 Cb 1.09 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 2dmk h ASP 69 CO 0.18 1.20 -1.81 -1.28 -1.03 0.00 0.00 179.24 176.49 2dmk h SER 70 N 0.03 0.46 -1.13 4.15 0.87 -1.97 -3.48 113.55 112.48 2dmk h SER 70 Ca -0.20 -0.92 -0.52 0.00 -1.23 0.00 0.00 61.79 58.91 2dmk h SER 70 Cb 1.95 -0.15 0.11 0.00 -0.44 0.00 0.00 62.40 63.87 2dmk h SER 70 CO 0.12 1.79 -0.63 0.79 -0.53 0.00 0.00 176.83 178.38 2dmk n TRP 71 N -3.62 -1.15 -4.19 2.24 7.02 -1.26 -4.93 117.44 111.54 2dmk n TRP 71 Ca -0.29 0.63 -0.34 0.00 -1.02 0.00 0.00 57.50 56.48 2dmk n TRP 71 Cb 1.02 -1.51 -0.08 0.00 -2.42 0.00 0.00 31.31 28.32 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 -0.82 3.06 0.08 -0.99 -1.94 -0.74 -4.99 119.30 112.97 2dmk s MET 72 Ca 0.50 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 54.14 2dmk s MET 72 Cb -0.62 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.32 2dmk s MET 72 CO 0.49 0.69 -0.21 0.42 -0.01 0.00 0.00 175.02 176.40 2dmk s ILE 73 N -1.04 1.70 -0.40 2.53 1.09 -1.26 -2.06 121.20 121.77 2dmk s ILE 73 Ca 0.18 -1.41 0.01 0.00 -1.10 0.00 0.00 60.65 58.32 2dmk s ILE 73 Cb -0.12 -1.52 0.14 0.00 -1.06 0.00 0.00 42.46 39.90 2dmk s ILE 73 CO 0.07 0.04 0.22 -0.69 -0.10 0.00 0.00 174.94 174.49 2dmk s VAL 74 N -1.02 0.81 0.52 2.92 1.01 -0.96 -5.00 120.40 118.68 2dmk s VAL 74 Ca 0.07 -2.15 -0.09 0.00 0.00 0.00 0.00 61.98 59.81 2dmk s VAL 74 Cb -0.10 -1.58 0.13 0.00 0.00 0.00 0.00 36.38 34.83 2dmk s VAL 74 CO 0.03 -0.94 0.46 -0.81 0.00 0.00 0.00 175.10 173.85 2dmk n PRO 75 N 3.78 -1.93 -3.45 2.72 -0.04 -1.26 -3.88 135.00 130.95 2dmk n PRO 75 Ca 0.10 -0.74 -0.18 0.00 -0.04 0.00 0.00 63.50 62.64 2dmk n PRO 75 Cb 0.36 -0.69 0.09 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.79 -2.92 -4.20 3.54 3.02 -1.26 -4.99 115.26 104.65 2dmk n ASN 76 Ca 0.06 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.67 2dmk n ASN 76 Cb 0.25 -5.06 -0.14 0.00 -0.61 0.00 0.00 39.78 34.21 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 -3.35 2.93 -0.21 2.41 1.01 -1.22 -4.96 121.20 117.80 2dmk s ILE 77 Ca 0.12 -1.05 0.14 0.00 0.00 0.00 0.00 60.65 59.86 2dmk s ILE 77 Cb -0.05 -2.51 0.45 0.00 0.01 0.00 0.00 42.46 40.36 2dmk s ILE 77 CO 0.72 0.16 1.18 0.29 0.00 0.00 0.00 174.94 177.30 2dmk n LYS 78 N 4.67 2.07 -4.55 2.79 5.02 -1.26 -0.05 118.16 126.85 2dmk n LYS 78 Ca -0.16 -3.44 -0.27 0.00 -2.02 0.00 0.00 58.31 52.43 2dmk n LYS 78 Cb 0.47 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 2dmk n LYS 78 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2dmk s GLN 79 N -2.95 1.96 -0.09 1.97 -2.07 -1.26 -5.05 119.66 112.17 2dmk s GLN 79 Ca 0.40 -2.20 0.18 0.00 -1.82 0.00 0.00 55.36 51.92 2dmk s GLN 79 Cb 0.38 -0.79 0.64 0.00 -1.09 0.00 0.00 33.01 32.15 2dmk s GLN 79 CO -0.04 -0.44 1.55 0.09 -1.32 0.00 0.00 175.29 175.14 2dmk n ASN 80 N -1.26 4.34 -3.47 12.60 4.13 -1.26 -4.89 115.26 125.45 2dmk n ASN 80 Ca -0.08 -2.37 0.01 0.00 1.68 0.00 0.00 54.58 53.82 2dmk n ASN 80 Cb 0.65 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 38.33 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 -1.69 -0.52 -0.15 3.10 -3.43 -1.26 -2.70 115.29 108.64 2dmk s HIS 81 Ca 0.47 0.95 0.02 0.00 -0.80 0.00 0.00 55.06 55.69 2dmk s HIS 81 Cb 0.29 0.31 0.01 0.00 -1.43 0.00 0.00 32.58 31.77 2dmk s HIS 81 CO 0.24 -0.26 -0.20 -0.47 -2.00 0.00 0.00 174.74 172.05 2dmk s TYR 82 N 1.94 2.56 -0.38 0.38 6.14 -1.21 -4.98 117.35 121.81 2dmk s TYR 82 Ca -0.05 -1.36 -0.27 0.00 0.64 0.00 0.00 57.07 56.03 2dmk s TYR 82 Cb -0.04 -1.77 0.02 0.00 0.42 0.00 0.00 41.96 40.58 2dmk s TYR 82 CO -0.16 -0.66 0.97 0.99 0.64 0.00 0.00 175.55 177.34 2dmk s THR 83 N 1.04 4.53 -0.09 4.34 2.01 -1.26 -3.52 115.64 122.69 2dmk s THR 83 Ca -0.02 1.25 -0.22 0.00 0.31 0.00 0.00 61.69 63.01 2dmk s THR 83 Cb -0.14 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 2dmk s THR 83 CO -0.06 -0.59 0.64 -0.69 -0.69 0.00 0.00 174.62 173.22 2dmk s VAL 84 N 3.62 5.08 0.11 3.82 1.01 -0.05 -4.92 120.40 129.07 2dmk s VAL 84 Ca 0.40 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.76 2dmk s VAL 84 Cb -0.11 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2dmk s VAL 84 CO 0.20 0.26 -0.12 -1.00 0.00 0.00 0.00 175.10 174.44 2dmk s HIS 85 N 0.81 2.68 0.00 5.22 3.76 -1.26 -2.07 115.29 124.43 2dmk s HIS 85 Ca 0.34 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 2dmk s HIS 85 Cb -0.17 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.12 2dmk s HIS 85 CO 0.16 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.87 2dmk n GLY 86 N 0.72 0.57 3.59 -2.22 0.00 -1.15 -5.03 105.19 101.67 2dmk n GLY 86 Ca -0.14 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.93 2.80 0.27 0.99 1.43 -1.24 -5.06 118.68 116.94 2dmk s LEU 87 Ca 0.00 -1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 51.73 2dmk s LEU 87 Cb 0.00 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 2dmk s LEU 87 CO 0.00 -0.42 0.50 -1.10 0.23 0.00 0.00 176.35 175.56 2dmk s GLN 88 N -3.71 3.57 0.53 1.70 -1.52 -1.26 -4.53 119.66 114.44 2dmk s GLN 88 Ca 0.35 -0.16 -0.16 0.00 -1.95 0.00 0.00 55.36 53.44 2dmk s GLN 88 Cb 0.09 -2.71 -0.07 0.00 -0.22 0.00 0.00 33.01 30.10 2dmk s GLN 88 CO 0.17 0.26 0.99 -1.54 -0.25 0.00 0.00 175.29 174.92 2dmk s SER 89 N -3.33 6.56 -0.93 5.90 1.04 -1.25 -4.19 113.70 117.51 2dmk s SER 89 Ca 0.41 1.54 -0.26 0.00 0.48 0.00 0.00 55.95 58.13 2dmk s SER 89 Cb -0.11 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2dmk s SER 89 CO 0.31 -0.63 0.53 0.61 0.98 0.00 0.00 173.24 175.04 2dmk n GLY 90 N -1.76 -0.69 3.06 7.32 0.00 -1.19 -4.94 105.19 106.99 2dmk n GLY 90 Ca 0.06 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.75 0.07 0.09 2.61 2.01 -1.26 -4.92 115.64 110.48 2dmk s THR 91 Ca 0.36 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2dmk s THR 91 Cb -0.20 -0.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.92 2dmk s THR 91 CO 0.77 -0.30 1.11 -0.13 -0.69 0.00 0.00 174.62 175.38 2dmk s ARG 92 N -1.00 4.53 -0.09 4.92 0.52 -1.26 -3.05 118.95 123.52 2dmk s ARG 92 Ca -0.11 1.66 -0.01 0.00 -0.52 0.00 0.00 55.73 56.75 2dmk s ARG 92 Cb -0.06 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.08 2dmk s ARG 92 CO 0.01 -0.08 -0.03 0.71 0.02 0.00 0.00 175.30 175.92 2dmk s TYR 93 N 0.58 1.03 0.09 -0.53 1.51 0.22 -1.90 117.35 118.36 2dmk s TYR 93 Ca 0.54 -0.42 -0.14 0.00 -1.01 0.00 0.00 57.07 56.03 2dmk s TYR 93 Cb -0.27 -0.99 -0.06 0.00 -0.11 0.00 0.00 41.96 40.53 2dmk s TYR 93 CO 0.31 -0.40 0.49 0.42 -1.11 0.00 0.00 175.55 175.25 2dmk s ILE 94 N 1.81 4.92 -0.02 2.71 1.01 -1.07 -0.49 121.20 130.07 2dmk s ILE 94 Ca 0.04 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.52 2dmk s ILE 94 Cb -0.12 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2dmk s ILE 94 CO -0.06 0.37 -0.08 -0.36 0.00 0.00 0.00 174.94 174.81 2dmk s PHE 95 N -1.32 0.86 -0.20 3.97 0.40 -0.69 -2.81 117.98 118.19 2dmk s PHE 95 Ca 0.33 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2dmk s PHE 95 Cb -0.16 -0.62 0.07 0.00 0.51 0.00 0.00 43.02 42.82 2dmk s PHE 95 CO 0.18 -0.09 0.09 0.42 0.70 0.00 0.00 175.22 176.52 2dmk s ILE 96 N 0.21 0.03 -0.27 0.64 1.01 -0.43 -1.10 121.20 121.29 2dmk s ILE 96 Ca -0.03 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2dmk s ILE 96 Cb -0.08 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2dmk s ILE 96 CO 0.00 -0.38 0.93 -0.69 0.00 0.00 0.00 174.94 174.80 2dmk s VAL 97 N 2.08 4.72 -0.34 2.92 1.01 -1.26 -2.40 120.40 127.13 2dmk s VAL 97 Ca 0.03 1.64 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 2dmk s VAL 97 Cb -0.16 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.02 2dmk s VAL 97 CO -0.15 -0.22 0.11 -0.75 0.00 0.00 0.00 175.10 174.09 2dmk s LYS 98 N 3.13 2.65 -0.05 2.72 2.20 -0.90 -2.74 119.74 126.74 2dmk s LYS 98 Ca 0.39 -1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2dmk s LYS 98 Cb -0.14 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2dmk s LYS 98 CO 0.10 -0.66 1.26 0.00 -0.36 0.00 0.00 175.35 175.68 2dmk s ALA 99 N 1.42 3.53 -0.13 3.13 0.00 -1.02 -2.51 121.76 126.17 2dmk s ALA 99 Ca -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 2dmk s ALA 99 Cb -0.19 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2dmk s ALA 99 CO 0.03 -0.84 -0.10 0.42 0.00 0.00 0.00 175.76 175.27 2dmk s ILE 100 N 2.39 3.35 0.30 0.00 1.01 -1.04 -1.96 121.20 125.24 2dmk s ILE 100 Ca 0.58 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2dmk s ILE 100 Cb -0.26 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2dmk s ILE 100 CO 0.22 0.52 0.35 0.54 0.00 0.00 0.00 174.94 176.57 2dmk s ASN 101 N 0.30 0.85 0.44 3.58 4.22 0.36 -2.04 114.94 122.65 2dmk s ASN 101 Ca -0.08 -1.48 0.19 0.00 -2.14 0.00 0.00 52.86 49.35 2dmk s ASN 101 Cb -0.15 0.57 1.13 0.00 1.28 0.00 0.00 41.25 44.07 2dmk s ASN 101 CO 0.05 -1.12 1.90 0.06 -2.04 0.00 0.00 177.10 175.94 2dmk h GLN 102 N 2.24 0.34 0.22 3.55 3.07 -1.97 -1.97 115.11 120.58 2dmk h GLN 102 Ca -0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.42 2dmk h GLN 102 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.73 2dmk h GLN 102 CO 0.41 0.22 -0.10 0.00 0.09 0.00 0.00 178.83 179.45 2dmk h ALA 103 N 1.63 -0.29 0.00 0.06 0.00 -1.85 -3.50 119.26 115.31 2dmk h ALA 103 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dmk h ALA 103 Cb 1.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dmk h ALA 103 CO -0.12 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.08 2dmk n GLY 104 N -0.07 -0.80 3.14 0.00 0.00 -0.74 -4.89 105.19 101.83 2dmk n GLY 104 Ca -0.09 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2dmk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 105 N -4.00 0.04 -0.08 1.61 1.04 -1.26 -0.49 113.70 110.56 2dmk s SER 105 Ca 0.00 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 2dmk s SER 105 Cb 0.00 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.40 2dmk s SER 105 CO 0.00 -0.46 0.05 -0.60 0.98 0.00 0.00 173.24 173.22 2dmk s ARG 106 N -1.94 0.14 -0.22 4.02 6.06 -0.83 -4.77 118.95 121.41 2dmk s ARG 106 Ca -0.10 0.17 -0.24 0.00 -2.50 0.00 0.00 55.73 53.06 2dmk s ARG 106 Cb -0.04 -0.99 -0.01 0.00 0.06 0.00 0.00 34.95 33.97 2dmk s ARG 106 CO -0.01 -0.41 0.79 1.21 -2.50 0.00 0.00 175.30 174.37 2dmk s ASN 107 N 2.10 6.82 0.96 -2.12 3.84 -1.26 -2.44 114.94 122.85 2dmk s ASN 107 Ca 0.04 1.02 -0.15 0.00 0.21 0.00 0.00 52.86 53.98 2dmk s ASN 107 Cb -0.13 -2.42 0.18 0.00 -0.55 0.00 0.00 41.25 38.33 2dmk s ASN 107 CO -0.05 -0.44 1.24 -0.55 -2.79 0.00 0.00 177.10 174.50 2dmk s SER 108 N 1.29 3.12 0.52 -4.21 0.15 -1.11 -5.02 113.70 108.45 2dmk s SER 108 Ca 0.34 0.52 -0.21 0.00 0.70 0.00 0.00 55.95 57.30 2dmk s SER 108 Cb -0.16 -0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 63.34 2dmk s SER 108 CO 0.09 -2.75 1.19 -1.61 1.20 0.00 0.00 173.24 171.36 2dmk s GLU 109 N -5.68 3.41 0.01 5.44 2.02 -1.26 -4.77 118.70 117.88 2dmk s GLU 109 Ca 0.70 1.79 -0.30 0.00 0.02 0.00 0.00 54.97 57.18 2dmk s GLU 109 Cb -0.08 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.92 2dmk s GLU 109 CO 0.53 -0.84 1.44 -1.25 0.02 0.00 0.00 175.26 175.16 2dmk s PRO 110 N -3.01 4.27 -0.45 0.39 0.04 -1.26 -4.71 135.00 130.26 2dmk s PRO 110 Ca 0.70 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.69 2dmk s PRO 110 Cb -0.29 -3.59 0.11 0.00 0.04 0.00 0.00 34.50 30.77 2dmk s PRO 110 CO 0.34 -0.61 0.29 0.99 0.04 0.00 0.00 177.00 178.04 2dmk s THR 111 N 2.50 3.86 0.23 1.26 2.01 -0.25 -4.92 115.64 120.32 2dmk s THR 111 Ca 0.65 -1.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2dmk s THR 111 Cb -0.33 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 2dmk s THR 111 CO 0.27 -0.73 1.09 -0.13 -0.69 0.00 0.00 174.62 174.43 2dmk s ARG 112 N 1.28 4.63 0.26 4.92 0.52 -1.26 -1.70 118.95 127.61 2dmk s ARG 112 Ca 0.06 1.75 0.02 0.00 -0.52 0.00 0.00 55.73 57.04 2dmk s ARG 112 Cb -0.25 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2dmk s ARG 112 CO -0.02 0.17 0.13 -0.51 0.02 0.00 0.00 175.30 175.09 2dmk s LEU 113 N -0.96 1.56 -0.02 2.53 1.43 0.36 -4.96 118.68 118.62 2dmk s LEU 113 Ca 0.46 -1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2dmk s LEU 113 Cb -0.30 0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.09 2dmk s LEU 113 CO 0.38 -0.81 0.04 -0.54 0.23 0.00 0.00 176.35 175.65 2dmk s LYS 114 N -3.98 0.01 0.87 1.70 1.02 -1.26 -0.61 119.74 117.50 2dmk s LYS 114 Ca 0.37 0.13 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 2dmk s LYS 114 Cb 0.07 -0.11 0.19 0.00 -0.52 0.00 0.00 37.83 37.46 2dmk s LYS 114 CO 0.15 -0.08 1.19 0.95 -0.92 0.00 0.00 175.35 176.64 2dmk s THR 115 N 0.53 2.00 0.44 2.17 -4.23 -1.17 -4.62 115.64 110.76 2dmk s THR 115 Ca -0.04 -0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.22 2dmk s THR 115 Cb -0.06 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2dmk s THR 115 CO -0.02 0.00 0.24 0.54 -0.54 0.00 0.00 174.62 174.85 2dmk s ASN 116 N -4.89 4.56 1.15 3.99 2.20 -1.26 -4.04 114.94 116.65 2dmk s ASN 116 Ca 0.73 -1.07 -0.17 0.00 -0.94 0.00 0.00 52.86 51.41 2dmk s ASN 116 Cb -0.03 -0.32 0.19 0.00 -2.00 0.00 0.00 41.25 39.10 2dmk s ASN 116 CO 0.50 -0.66 0.34 -0.24 -2.94 0.00 0.00 177.10 174.10 2dmk n SER 117 N -1.38 -2.87 -4.82 3.54 2.88 -1.26 -3.19 113.62 106.52 2dmk n SER 117 Ca -0.01 -0.36 -0.32 0.00 -1.33 0.00 0.00 58.87 56.85 2dmk n SER 117 Cb 0.64 -0.92 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dmk s GLN 118 N -3.80 3.64 0.55 -1.46 -1.52 -1.26 -4.26 119.66 111.55 2dmk s GLN 118 Ca 0.52 1.07 -0.09 0.00 -1.95 0.00 0.00 55.36 54.90 2dmk s GLN 118 Cb -0.11 -2.09 0.14 0.00 -0.22 0.00 0.00 33.01 30.73 2dmk s GLN 118 CO 0.53 -0.53 0.49 -0.35 -0.25 0.00 0.00 175.29 175.17 2dmk n PRO 119 N -1.82 -1.98 -2.24 2.91 -0.04 -1.26 -4.94 135.00 125.62 2dmk n PRO 119 Ca 0.08 -0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 2dmk n PRO 119 Cb 0.53 -0.73 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 2dmk n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmk s PHE 120 N -1.88 2.69 0.37 0.54 0.08 -1.26 -4.98 117.98 113.53 2dmk s PHE 120 Ca 0.32 0.76 -0.27 0.00 0.12 0.00 0.00 56.93 57.86 2dmk s PHE 120 Cb -0.03 -3.66 -0.09 0.00 -0.57 0.00 0.00 43.02 38.67 2dmk s PHE 120 CO 0.24 -2.48 1.24 -1.59 -0.10 0.00 0.00 175.22 172.54 2dmk s LYS 121 N 3.01 4.19 -0.29 0.44 -2.85 -1.26 -5.02 119.74 117.96 2dmk s LYS 121 Ca 0.63 2.05 -0.25 0.00 -1.00 0.00 0.00 55.97 57.39 2dmk s LYS 121 Cb -0.29 -2.88 0.17 0.00 -2.06 0.00 0.00 37.83 32.77 2dmk s LYS 121 CO 0.24 -0.27 1.30 0.45 0.10 0.00 0.00 175.35 177.16 2dmk s SER 122 N -0.78 -0.18 0.00 0.03 0.15 -1.26 -5.17 113.70 106.49 2dmk s SER 122 Ca 0.53 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dmk s SER 122 Cb -0.36 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2dmk s SER 122 CO 0.46 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2dmk n GLY 123 N 1.67 3.79 3.77 9.45 0.00 -1.26 -5.13 105.19 117.48 2dmk n GLY 123 Ca -0.10 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2dmk n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmk s PRO 124 N 2.71 3.78 0.35 1.61 0.04 -1.26 -5.06 135.00 137.17 2dmk s PRO 124 Ca 0.00 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.90 2dmk s PRO 124 Cb 0.00 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2dmk s PRO 124 CO 0.00 -0.54 0.27 -1.54 0.04 0.00 0.00 177.00 175.23 2dmk s SER 125 N -1.34 5.12 0.72 6.66 1.04 -1.26 -5.08 113.70 119.56 2dmk s SER 125 Ca 0.63 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.30 2dmk s SER 125 Cb -0.29 -0.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.90 2dmk s SER 125 CO 0.35 -0.38 0.24 -0.24 0.98 0.00 0.00 173.24 174.19 2dmk n SER 126 N -1.35 -2.26 0.00 7.02 2.88 -1.26 -5.35 113.62 113.30 2dmk n SER 126 Ca -0.01 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2dmk n SER 126 Cb 0.60 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42