#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk s SER 2 N 0.00 -0.01 0.25 1.61 0.01 -1.26 -4.96 113.70 109.34 2dmk s SER 2 Ca 0.00 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 2dmk s SER 2 Cb 0.00 -1.88 -0.09 0.00 0.21 0.00 0.00 66.02 64.25 2dmk s SER 2 CO 0.00 -4.77 0.95 -0.55 0.41 0.00 0.00 173.24 169.28 2dmk s SER 3 N -2.72 7.59 -0.55 2.44 0.15 -1.26 -5.01 113.70 114.34 2dmk s SER 3 Ca 0.69 1.95 -0.19 0.00 0.70 0.00 0.00 55.95 59.10 2dmk s SER 3 Cb -0.21 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.58 2dmk s SER 3 CO 0.62 0.11 0.67 -0.83 1.20 0.00 0.00 173.24 175.02 2dmk s GLY 4 N -1.22 1.76 0.87 9.45 0.00 -1.26 -5.05 107.32 111.87 2dmk s GLY 4 Ca 0.42 -1.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 2dmk s GLY 4 CO 0.31 1.54 1.16 -0.56 0.00 0.00 0.00 173.10 175.55 2dmk s SER 5 N 3.16 3.23 -1.76 1.64 0.01 -1.26 -2.91 113.70 115.81 2dmk s SER 5 Ca 0.14 2.20 -0.19 0.00 1.31 0.00 0.00 55.95 59.40 2dmk s SER 5 Cb -0.21 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.63 2dmk s SER 5 CO 0.09 -2.90 0.66 -0.24 0.41 0.00 0.00 173.24 171.26 2dmk n SER 6 N -3.94 -2.37 -4.17 2.44 2.88 -1.26 -4.91 113.62 102.28 2dmk n SER 6 Ca 0.12 -1.12 -0.33 0.00 -1.33 0.00 0.00 58.87 56.21 2dmk n SER 6 Cb 0.52 -2.23 -0.16 0.00 -0.75 0.00 0.00 64.21 61.59 2dmk n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmk s GLY 7 N -3.37 1.39 0.16 0.46 0.00 -1.14 -5.11 107.32 99.70 2dmk s GLY 7 Ca 0.72 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 2dmk s GLY 7 CO 0.97 0.10 0.66 -0.54 0.00 0.00 0.00 173.10 174.29 2dmk s GLU 8 N 1.00 4.24 0.09 2.90 0.41 -1.26 -5.04 118.70 121.04 2dmk s GLU 8 Ca -0.02 0.81 0.07 0.00 -0.41 0.00 0.00 54.97 55.42 2dmk s GLU 8 Cb -0.15 -3.06 -0.03 0.00 -1.78 0.00 0.00 34.13 29.11 2dmk s GLU 8 CO -0.06 0.51 -0.18 0.20 -0.49 0.00 0.00 175.26 175.25 2dmk s GLY 9 N -1.42 1.07 -0.45 -1.39 0.00 -1.26 -5.10 107.32 98.76 2dmk s GLY 9 Ca 0.37 -1.14 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 2dmk s GLY 9 CO 0.21 -1.16 1.24 0.48 0.00 0.00 0.00 173.10 173.87 2dmk s LEU 10 N -1.87 3.62 -0.40 0.66 2.34 -1.26 -4.90 118.68 116.87 2dmk s LEU 10 Ca 0.03 0.60 -0.02 0.00 0.06 0.00 0.00 54.13 54.80 2dmk s LEU 10 Cb -0.10 -3.55 0.22 0.00 -0.56 0.00 0.00 46.19 42.20 2dmk s LEU 10 CO 0.03 -1.32 2.18 0.47 -1.06 0.00 0.00 176.35 176.65 2dmk n ASP 11 N 8.21 6.66 -4.82 1.48 8.00 -1.26 -4.93 116.55 129.89 2dmk n ASP 11 Ca 0.14 -3.20 -0.37 0.00 0.71 0.00 0.00 54.79 52.06 2dmk n ASP 11 Cb 0.49 -1.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 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 -2.10 3.64 0.00 1.24 -0.85 -1.26 -4.95 117.35 113.07 2dmk s TYR 12 Ca 0.41 0.82 0.00 0.00 -0.52 0.00 0.00 57.07 57.78 2dmk s TYR 12 Cb 0.31 -2.23 0.00 0.00 0.38 0.00 0.00 41.96 40.41 2dmk s TYR 12 CO -0.06 0.57 0.10 -0.11 -1.52 0.00 0.00 175.55 174.54 2dmk n LEU 13 N 2.25 0.20 -0.34 -3.49 7.94 -1.26 -4.79 117.00 117.51 2dmk n LEU 13 Ca -0.15 -0.42 0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2dmk n LEU 13 Cb 0.53 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.94 2dmk n LEU 13 CO 0.37 0.05 0.84 1.07 -1.11 0.00 0.00 177.39 178.61 2dmk n THR 14 N -0.44 -0.13 -3.80 1.96 5.66 -1.26 -4.18 114.28 112.09 2dmk n THR 14 Ca 0.00 1.14 -0.12 0.00 -3.05 0.00 0.00 64.05 62.02 2dmk n THR 14 Cb 0.03 -1.88 -0.11 0.00 -1.55 0.00 0.00 70.33 66.82 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 -4.59 -0.58 0.00 1.79 0.00 -1.26 -4.26 121.76 112.86 2dmk s ALA 15 Ca -0.05 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2dmk s ALA 15 Cb 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2dmk s ALA 15 CO 0.55 -0.15 1.45 -1.25 0.00 0.00 0.00 175.76 176.36 2dmk s PRO 16 N -0.34 4.26 0.27 0.00 0.04 -1.26 -4.95 135.00 133.02 2dmk s PRO 16 Ca -0.04 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 2dmk s PRO 16 Cb -0.03 -3.61 -0.14 0.00 0.04 0.00 0.00 34.50 30.76 2dmk s PRO 16 CO 0.01 -0.62 1.05 -1.71 0.04 0.00 0.00 177.00 175.77 2dmk n ASN 17 N 5.55 1.36 -4.72 6.66 2.85 -1.26 -4.38 115.26 121.32 2dmk n ASN 17 Ca 0.14 1.17 -0.42 0.00 -0.11 0.00 0.00 54.58 55.36 2dmk n ASN 17 Cb 0.43 -1.28 -0.03 0.00 1.24 0.00 0.00 39.78 40.14 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2dmk s PRO 18 N -1.31 4.35 0.85 1.20 0.04 -1.26 -4.86 135.00 134.01 2dmk s PRO 18 Ca 0.61 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 2dmk s PRO 18 Cb -0.72 -3.25 0.10 0.00 0.04 0.00 0.00 34.50 30.67 2dmk s PRO 18 CO 0.58 -0.37 1.09 -1.25 0.04 0.00 0.00 177.00 177.09 2dmk s PRO 19 N 0.79 1.62 -0.32 0.56 0.04 -1.26 -4.92 135.00 131.52 2dmk s PRO 19 Ca 0.62 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.64 2dmk s PRO 19 Cb -0.36 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2dmk s PRO 19 CO 0.32 -2.02 0.01 -1.12 0.04 0.00 0.00 177.00 174.23 2dmk s SER 20 N -3.41 4.72 -0.47 6.66 0.01 0.22 -4.85 113.70 116.59 2dmk s SER 20 Ca 0.63 -1.84 -0.28 0.00 1.31 0.00 0.00 55.95 55.76 2dmk s SER 20 Cb -0.18 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.43 2dmk s SER 20 CO 0.57 -0.33 1.48 -0.63 0.41 0.00 0.00 173.24 174.74 2dmk s ILE 21 N 1.01 3.79 -0.06 1.44 1.01 -1.26 -0.14 121.20 126.99 2dmk s ILE 21 Ca 0.03 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 2dmk s ILE 21 Cb -0.20 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2dmk s ILE 21 CO -0.06 -0.88 1.25 -0.13 0.00 0.00 0.00 174.94 175.12 2dmk s ARG 22 N 5.34 4.32 0.24 2.79 1.81 0.12 -4.91 118.95 128.67 2dmk s ARG 22 Ca 0.60 1.73 0.22 0.00 -1.72 0.00 0.00 55.73 56.57 2dmk s ARG 22 Cb -0.13 -3.60 0.06 0.00 -0.45 0.00 0.00 34.95 30.82 2dmk s ARG 22 CO 0.29 -0.52 1.14 0.93 -0.68 0.00 0.00 175.30 176.47 2dmk h GLU 23 N 7.68 0.00 0.00 3.54 5.08 -1.93 -2.79 114.58 126.16 2dmk h GLU 23 Ca -0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.83 2dmk h GLU 23 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2dmk h GLU 23 CO 0.90 0.01 -1.10 1.05 -1.00 0.00 0.00 179.01 178.88 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.96 -3.33 114.58 115.73 2dmk h GLU 24 Ca -0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 2dmk h GLU 24 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2dmk h GLU 24 CO 0.00 0.63 -1.65 -0.07 0.07 0.00 0.00 179.01 177.99 2dmk h LEU 25 N 0.00 0.00 -9.86 3.06 3.38 -1.92 -3.47 115.31 106.50 2dmk h LEU 25 Ca -0.09 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 2dmk h LEU 25 Cb 1.68 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.51 2dmk h LEU 25 CO 0.09 0.95 0.74 0.00 0.09 0.00 0.00 178.44 180.31 2dmk s THR 27 N -0.72 2.55 -0.09 0.00 -4.23 0.09 -4.95 115.64 108.29 2dmk s THR 27 Ca 0.54 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 2dmk s THR 27 Cb -0.43 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2dmk s THR 27 CO 0.53 0.14 -0.22 0.00 -0.54 0.00 0.00 174.62 174.53 2dmk s ALA 28 N -1.06 2.28 0.33 3.99 0.00 -1.26 -1.26 121.76 124.77 2dmk s ALA 28 Ca 0.16 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2dmk s ALA 28 Cb -0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 2dmk s ALA 28 CO 0.07 0.35 -0.01 0.45 0.00 0.00 0.00 175.76 176.62 2dmk s SER 29 N 0.07 2.97 0.00 0.00 0.15 0.28 -4.55 113.70 112.63 2dmk s SER 29 Ca -0.10 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.27 2dmk s SER 29 Cb -0.15 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2dmk s SER 29 CO 0.06 -0.43 0.84 0.00 1.20 0.00 0.00 173.24 174.91 2dmk n HIS 30 N -0.71 0.00 -0.33 3.44 1.44 -1.26 -3.07 115.22 114.73 2dmk n HIS 30 Ca -0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.71 2dmk n HIS 30 Cb 0.65 -0.38 0.09 0.00 0.12 0.00 0.00 29.99 30.47 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 -2.58 2.49 -4.31 4.39 5.68 -1.26 -3.51 116.55 117.44 2dmk n ASP 31 Ca 0.00 -2.29 -0.17 0.00 -0.50 0.00 0.00 54.79 51.83 2dmk n ASP 31 Cb 0.00 -0.19 -0.10 0.00 -1.14 0.00 0.00 41.12 39.69 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 -1.50 1.38 -0.27 2.12 -4.23 -1.18 -1.10 115.64 110.86 2dmk s THR 32 Ca 0.16 -2.11 -0.19 0.00 -1.18 0.00 0.00 61.69 58.36 2dmk s THR 32 Cb 0.11 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 71.97 2dmk s THR 32 CO 0.05 -0.58 0.68 -0.63 -0.54 0.00 0.00 174.62 173.61 2dmk s ILE 33 N -3.20 -0.00 -0.33 2.99 1.01 -1.06 0.10 121.20 120.72 2dmk s ILE 33 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 2dmk s ILE 33 Cb 0.02 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.58 2dmk s ILE 33 CO 0.05 0.00 0.05 -0.89 0.00 0.00 0.00 174.94 174.15 2dmk s THR 34 N 1.06 3.08 -0.13 2.92 2.01 -0.39 -1.05 115.64 123.15 2dmk s THR 34 Ca -0.06 -1.53 -0.16 0.00 0.31 0.00 0.00 61.69 60.25 2dmk s THR 34 Cb -0.05 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2dmk s THR 34 CO -0.10 -0.24 0.41 -0.69 -0.69 0.00 0.00 174.62 173.30 2dmk s VAL 35 N 1.23 5.22 -0.21 3.82 1.01 -1.25 -0.73 120.40 129.50 2dmk s VAL 35 Ca -0.02 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2dmk s VAL 35 Cb -0.20 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2dmk s VAL 35 CO -0.02 0.36 -0.01 -1.00 0.00 0.00 0.00 175.10 174.43 2dmk s HIS 36 N 0.49 3.01 0.02 5.22 3.76 -1.26 -3.35 115.29 123.18 2dmk s HIS 36 Ca 0.22 -0.58 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 2dmk s HIS 36 Cb -0.14 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 2dmk s HIS 36 CO 0.08 -0.32 -0.23 1.67 -0.85 0.00 0.00 174.74 175.09 2dmk s TRP 37 N 1.14 2.43 -0.06 1.40 -2.14 -0.76 0.17 118.94 121.12 2dmk s TRP 37 Ca 0.02 -0.35 0.04 0.00 2.66 0.00 0.00 56.10 58.48 2dmk s TRP 37 Cb -0.14 -1.46 -0.00 0.00 -3.10 0.00 0.00 33.47 28.76 2dmk s TRP 37 CO 0.01 0.12 -0.20 -1.50 -2.66 0.00 0.00 176.95 172.72 2dmk s ILE 38 N -0.78 1.72 0.06 0.66 1.10 0.81 -4.83 121.20 119.94 2dmk s ILE 38 Ca 0.12 -0.86 -0.00 0.00 -0.51 0.00 0.00 60.65 59.40 2dmk s ILE 38 Cb -0.10 -1.48 -0.04 0.00 0.15 0.00 0.00 42.46 40.98 2dmk s ILE 38 CO 0.02 0.49 -0.04 -0.55 -2.11 0.00 0.00 174.94 172.75 2dmk s SER 39 N 0.14 0.58 -0.10 4.50 0.15 -1.26 -0.61 113.70 117.11 2dmk s SER 39 Ca -0.09 -0.97 0.17 0.00 0.70 0.00 0.00 55.95 55.76 2dmk s SER 39 Cb -0.14 0.18 -0.25 0.00 -1.71 0.00 0.00 66.02 64.09 2dmk s SER 39 CO 0.05 -0.56 0.24 0.47 1.20 0.00 0.00 173.24 174.63 2dmk n ASP 40 N 0.18 0.73 -2.03 5.45 9.92 -1.26 -4.39 116.55 125.15 2dmk n ASP 40 Ca -0.14 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.90 2dmk n ASP 40 Cb 0.61 1.40 0.17 0.00 -0.64 0.00 0.00 41.12 42.65 2dmk n ASP 40 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dmk n ASP 41 N -2.39 4.05 0.00 -2.24 -0.08 -1.26 -4.50 116.55 110.12 2dmk n ASP 41 Ca -0.16 -3.68 0.09 0.00 -1.51 0.00 0.00 54.79 49.54 2dmk n ASP 41 Cb 0.77 -0.81 0.52 0.00 2.34 0.00 0.00 41.12 43.94 2dmk n ASP 41 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2dmk n GLU 42 N -1.11 0.97 0.03 -0.67 0.28 -1.26 -3.19 120.64 115.69 2dmk n GLU 42 Ca 0.55 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.44 2dmk n GLU 42 Cb 1.40 -1.28 -0.13 0.00 1.43 0.00 0.00 31.44 32.86 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 0.00 0.14 0.08 -1.84 -1.00 -1.94 -3.38 116.94 109.00 2dmk h PHE 43 Ca 0.00 -0.10 -0.33 0.00 2.81 0.00 0.00 57.97 60.35 2dmk h PHE 43 Cb 0.00 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 2dmk h PHE 43 CO 0.00 1.13 -1.81 0.43 -1.61 0.00 0.00 178.31 176.45 2dmk n SER 44 N -3.27 2.04 -4.31 2.17 7.64 -1.19 -4.94 113.62 111.76 2dmk n SER 44 Ca -0.12 0.27 -0.54 0.00 1.01 0.00 0.00 58.87 59.49 2dmk n SER 44 Cb 1.01 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 2dmk n SER 44 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2dmk n ILE 45 N -3.79 0.57 0.02 0.44 5.41 -1.21 -4.79 119.36 116.03 2dmk n ILE 45 Ca -0.33 -0.14 -0.19 0.00 1.00 0.00 0.00 62.75 63.09 2dmk n ILE 45 Cb 0.93 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.72 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 2.31 0.38 -5.03 4.38 0.02 -1.71 -3.49 113.55 110.42 2dmk h SER 46 Ca -0.43 -0.94 -0.05 0.00 -0.84 0.00 0.00 61.79 59.53 2dmk h SER 46 Cb 1.38 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 2dmk h SER 46 CO 0.60 1.29 0.05 -0.94 -1.14 0.00 0.00 176.83 176.70 2dmk s SER 47 N -6.80 -0.43 0.10 3.07 1.04 -1.16 -5.01 113.70 104.52 2dmk s SER 47 Ca -0.15 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2dmk s SER 47 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2dmk s SER 47 CO 0.80 -0.79 0.10 -0.31 0.98 0.00 0.00 173.24 174.02 2dmk s TYR 48 N -2.94 3.19 -0.09 5.02 2.02 -0.81 -2.49 117.35 121.26 2dmk s TYR 48 Ca -0.03 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2dmk s TYR 48 Cb -0.00 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2dmk s TYR 48 CO -0.06 0.52 -0.18 -2.00 -1.57 0.00 0.00 175.55 172.27 2dmk s GLU 49 N -2.60 2.39 -0.20 -0.62 2.56 -0.65 -3.59 118.70 116.00 2dmk s GLU 49 Ca 0.30 -0.65 -0.05 0.00 0.00 0.00 0.00 54.97 54.57 2dmk s GLU 49 Cb -0.12 -1.88 -0.03 0.00 2.00 0.00 0.00 34.13 34.11 2dmk s GLU 49 CO 0.23 0.09 0.01 -1.17 -0.56 0.00 0.00 175.26 173.85 2dmk s LEU 50 N 0.55 3.37 -0.14 2.70 2.96 -1.26 -0.36 118.68 126.51 2dmk s LEU 50 Ca -0.16 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2dmk s LEU 50 Cb -0.17 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 2dmk s LEU 50 CO 0.05 0.09 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.90 2dmk s GLN 51 N 0.86 3.18 0.02 1.98 -0.21 -0.87 -2.43 119.66 122.18 2dmk s GLN 51 Ca 0.01 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.62 2dmk s GLN 51 Cb -0.14 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.32 2dmk s GLN 51 CO 0.02 0.07 -0.05 1.52 -2.12 0.00 0.00 175.29 174.73 2dmk s TYR 52 N 0.66 0.40 0.01 0.91 1.13 -1.02 -0.85 117.35 118.58 2dmk s TYR 52 Ca -0.09 -0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.03 2dmk s TYR 52 Cb -0.16 -0.25 0.05 0.00 -1.10 0.00 0.00 41.96 40.50 2dmk s TYR 52 CO 0.02 -0.08 0.51 -0.08 -2.51 0.00 0.00 175.55 173.41 2dmk s THR 53 N -0.85 0.03 -0.47 -3.49 -1.32 -1.11 -2.85 115.64 105.57 2dmk s THR 53 Ca -0.07 -0.25 -0.29 0.00 -1.21 0.00 0.00 61.69 59.87 2dmk s THR 53 Cb -0.06 -0.91 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2dmk s THR 53 CO -0.00 -0.14 1.16 -0.63 -2.21 0.00 0.00 174.62 172.80 2dmk s ILE 54 N -1.88 4.18 -0.54 5.08 1.01 -1.26 -2.40 121.20 125.38 2dmk s ILE 54 Ca -0.08 1.21 -0.26 0.00 0.00 0.00 0.00 60.65 61.51 2dmk s ILE 54 Cb -0.01 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.92 2dmk s ILE 54 CO 0.03 -0.98 1.03 0.12 0.00 0.00 0.00 174.94 175.13 2dmk s PHE 55 N 4.53 2.76 0.46 3.97 2.19 -1.17 -5.00 117.98 125.71 2dmk s PHE 55 Ca 0.49 0.22 0.03 0.00 0.33 0.00 0.00 56.93 58.00 2dmk s PHE 55 Cb -0.08 -4.21 -0.02 0.00 -1.31 0.00 0.00 43.02 37.40 2dmk s PHE 55 CO 0.32 -1.38 0.06 0.95 1.83 0.00 0.00 175.22 177.00 2dmk s THR 56 N 4.25 0.92 -0.64 0.12 -4.23 -1.26 -4.44 115.64 110.37 2dmk s THR 56 Ca 0.36 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2dmk s THR 56 Cb -0.10 -2.28 0.14 0.00 1.34 0.00 0.00 72.50 71.60 2dmk s THR 56 CO 0.23 0.00 2.54 0.61 -0.54 0.00 0.00 174.62 177.46 2dmk n GLY 57 N -1.08 4.75 0.13 3.99 0.00 -1.26 -4.44 105.19 107.28 2dmk n GLY 57 Ca -0.12 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.62 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 0.59 0.70 -3.55 1.61 6.02 -1.26 -5.02 117.38 116.47 2dmk n GLN 58 Ca 0.51 0.32 -0.15 0.00 -0.01 0.00 0.00 57.00 57.67 2dmk n GLN 58 Cb 0.44 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 2dmk n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dmk s ALA 59 N -2.51 -1.82 0.11 -1.58 0.00 -1.26 -5.12 121.76 109.57 2dmk s ALA 59 Ca -0.26 1.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 2dmk s ALA 59 Cb 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 23.12 22.69 2dmk s ALA 59 CO 0.70 -0.35 0.48 0.27 0.00 0.00 0.00 175.76 176.86 2dmk n ASN 60 N 1.13 -0.68 -0.32 0.00 6.94 -1.26 -4.43 115.26 116.64 2dmk n ASN 60 Ca -0.16 0.82 0.30 0.00 -0.02 0.00 0.00 54.58 55.52 2dmk n ASN 60 Cb 0.57 -0.68 0.56 0.00 -2.36 0.00 0.00 39.78 37.86 2dmk n ASN 60 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dmk h PHE 61 N 1.09 0.76 -0.01 -2.53 3.57 -2.00 0.60 116.94 118.42 2dmk h PHE 61 Ca -0.25 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2dmk h PHE 61 Cb 1.04 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2dmk h PHE 61 CO 0.33 -0.45 0.01 0.82 -2.23 0.00 0.00 178.31 176.79 2dmk h ILE 62 N 0.03 1.04 -0.69 1.41 1.08 -1.97 0.18 117.51 118.59 2dmk h ILE 62 Ca 0.82 -0.12 0.14 0.00 -0.39 0.00 0.00 64.86 65.31 2dmk h ILE 62 Cb 2.12 1.10 -0.10 0.00 -3.07 0.00 0.00 36.82 36.87 2dmk h ILE 62 CO -0.77 0.03 0.17 0.28 -0.69 0.00 0.00 178.15 177.17 2dmk h SER 63 N -0.03 0.03 -0.08 1.72 0.02 -0.07 0.68 113.55 115.82 2dmk h SER 63 Ca 0.01 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2dmk h SER 63 Cb 0.05 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2dmk h SER 63 CO -0.00 -0.01 -0.17 0.25 -1.14 0.00 0.00 176.83 175.76 2dmk h LEU 64 N 0.28 0.29 -2.29 5.07 5.85 -1.24 -3.08 115.31 120.20 2dmk h LEU 64 Ca 0.38 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2dmk h LEU 64 Cb 0.61 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2dmk h LEU 64 CO -0.46 0.80 -0.05 0.22 -0.34 0.00 0.00 178.44 178.61 2dmk h TYR 65 N -0.21 0.00 -0.48 1.25 3.20 0.17 -2.39 116.97 118.52 2dmk h TYR 65 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2dmk h TYR 65 Cb 0.76 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2dmk h TYR 65 CO 0.11 0.05 0.22 -0.91 -1.64 0.00 0.00 178.16 175.98 2dmk h ASN 66 N 0.00 0.64 -1.15 -2.11 -0.26 0.44 -2.87 115.58 110.28 2dmk h ASN 66 Ca -0.00 -0.14 -0.57 0.00 -0.56 0.00 0.00 56.30 55.02 2dmk h ASN 66 Cb 0.14 -0.16 -0.22 0.00 -1.06 0.00 0.00 38.32 37.02 2dmk h ASN 66 CO 0.01 0.60 0.69 -1.20 -1.06 0.00 0.00 177.43 176.47 2dmk n SER 67 N -4.61 7.07 0.31 5.81 7.64 -0.90 -4.67 113.62 124.27 2dmk n SER 67 Ca 0.01 -3.49 0.09 0.00 1.01 0.00 0.00 58.87 56.50 2dmk n SER 67 Cb 0.13 -1.09 0.46 0.00 -1.01 0.00 0.00 64.21 62.71 2dmk n SER 67 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dmk h VAL 68 N 1.51 0.00 -0.05 0.44 3.04 -1.58 0.07 116.25 119.68 2dmk h VAL 68 Ca 0.47 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 66.18 2dmk h VAL 68 Cb 0.61 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2dmk h VAL 68 CO 1.18 0.00 0.48 -0.78 -1.01 0.00 0.00 177.57 177.44 2dmk h ASP 69 N 0.00 0.00 0.29 3.17 1.82 -1.89 0.35 116.42 120.15 2dmk h ASP 69 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 2dmk h ASP 69 Cb 1.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 2dmk h ASP 69 CO 0.00 0.00 -1.79 0.28 -1.61 0.00 0.00 179.24 176.12 2dmk h SER 70 N 0.00 0.37 -1.68 2.28 0.02 -1.35 -3.48 113.55 109.71 2dmk h SER 70 Ca 0.02 -0.67 -0.62 0.00 -0.84 0.00 0.00 61.79 59.68 2dmk h SER 70 Cb 0.98 -0.12 0.15 0.00 0.14 0.00 0.00 62.40 63.55 2dmk h SER 70 CO -0.00 1.59 -0.90 0.79 -1.14 0.00 0.00 176.83 177.17 2dmk n TRP 71 N -3.41 -1.95 -3.51 3.45 7.02 0.12 -4.91 117.44 114.25 2dmk n TRP 71 Ca -0.24 0.64 -0.37 0.00 -1.02 0.00 0.00 57.50 56.51 2dmk n TRP 71 Cb 1.05 -1.80 -0.08 0.00 -2.42 0.00 0.00 31.31 28.06 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 -1.03 4.14 0.25 -0.99 -1.94 -1.13 -5.00 119.30 113.59 2dmk s MET 72 Ca 0.60 0.00 0.10 0.00 -1.71 0.00 0.00 55.69 54.68 2dmk s MET 72 Cb -0.65 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 32.62 2dmk s MET 72 CO 0.62 0.03 -0.05 0.42 -0.01 0.00 0.00 175.02 176.03 2dmk s ILE 73 N 1.12 3.27 -0.39 2.53 -1.09 -1.26 -2.45 121.20 122.93 2dmk s ILE 73 Ca 0.14 -1.92 0.01 0.00 -2.23 0.00 0.00 60.65 56.65 2dmk s ILE 73 Cb -0.14 -2.72 0.14 0.00 -1.58 0.00 0.00 42.46 38.16 2dmk s ILE 73 CO 0.06 -0.32 0.22 -0.69 -1.23 0.00 0.00 174.94 172.98 2dmk s VAL 74 N -2.21 0.75 1.15 2.92 1.01 -1.02 -5.01 120.40 117.99 2dmk s VAL 74 Ca 0.30 -2.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.03 2dmk s VAL 74 Cb -0.07 -1.54 0.26 0.00 0.00 0.00 0.00 36.38 35.04 2dmk s VAL 74 CO 0.18 -0.93 1.11 -2.16 0.00 0.00 0.00 175.10 173.30 2dmk s PRO 75 N 0.77 -0.83 -0.94 2.72 0.04 -1.26 -3.98 135.00 131.52 2dmk s PRO 75 Ca 0.17 0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 2dmk s PRO 75 Cb -0.23 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2dmk s PRO 75 CO -0.01 -3.48 0.79 0.09 0.04 0.00 0.00 177.00 174.44 2dmk n ASN 76 N -4.62 -3.19 -4.19 6.66 3.02 -1.26 -5.00 115.26 106.68 2dmk n ASN 76 Ca 0.11 -0.53 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 2dmk n ASN 76 Cb 0.59 -4.30 -0.13 0.00 -0.61 0.00 0.00 39.78 35.34 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 -3.30 3.32 -0.44 2.41 1.01 -1.24 -4.96 121.20 118.00 2dmk s ILE 77 Ca 0.12 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.29 2dmk s ILE 77 Cb -0.02 -3.01 0.44 0.00 0.01 0.00 0.00 42.46 39.88 2dmk s ILE 77 CO 0.60 -0.31 1.39 0.29 0.00 0.00 0.00 174.94 176.91 2dmk n LYS 78 N 4.67 3.34 -4.21 2.79 4.76 -1.26 -1.91 118.16 126.34 2dmk n LYS 78 Ca -0.10 -4.03 -0.13 0.00 -2.87 0.00 0.00 58.31 51.18 2dmk n LYS 78 Cb 0.43 -2.27 -0.10 0.00 -1.84 0.00 0.00 35.03 31.25 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 -3.67 1.30 0.00 1.97 -2.07 -1.26 -5.04 119.66 110.90 2dmk s GLN 79 Ca 0.53 -1.68 0.22 0.00 -1.82 0.00 0.00 55.36 52.61 2dmk s GLN 79 Cb 0.43 0.29 0.51 0.00 -1.09 0.00 0.00 33.01 33.15 2dmk s GLN 79 CO -0.06 -0.44 1.45 0.09 -1.32 0.00 0.00 175.29 175.01 2dmk n ASN 80 N -0.48 3.35 -3.62 12.60 4.13 -1.26 -4.86 115.26 125.12 2dmk n ASN 80 Ca 0.03 -1.97 -0.02 0.00 1.68 0.00 0.00 54.58 54.29 2dmk n ASN 80 Cb 0.65 -0.30 -0.05 0.00 -1.54 0.00 0.00 39.78 38.54 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 -1.40 -1.18 -0.19 3.10 -3.43 -1.26 -1.82 115.29 109.12 2dmk s HIS 81 Ca 0.40 2.11 0.01 0.00 -0.80 0.00 0.00 55.06 56.78 2dmk s HIS 81 Cb 0.23 0.70 0.03 0.00 -1.43 0.00 0.00 32.58 32.11 2dmk s HIS 81 CO 0.31 -0.58 -0.18 -0.47 -2.00 0.00 0.00 174.74 171.81 2dmk s TYR 82 N 2.49 2.78 -0.38 0.38 6.14 -1.21 -4.96 117.35 122.59 2dmk s TYR 82 Ca -0.07 -1.69 -0.28 0.00 0.64 0.00 0.00 57.07 55.67 2dmk s TYR 82 Cb -0.09 -1.89 0.02 0.00 0.42 0.00 0.00 41.96 40.42 2dmk s TYR 82 CO -0.19 -0.81 1.03 0.99 0.64 0.00 0.00 175.55 177.22 2dmk s THR 83 N 1.29 4.47 -0.03 4.34 2.01 -1.26 -3.79 115.64 122.67 2dmk s THR 83 Ca 0.03 1.40 -0.24 0.00 0.31 0.00 0.00 61.69 63.19 2dmk s THR 83 Cb -0.14 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2dmk s THR 83 CO -0.12 -0.63 0.73 -0.69 -0.69 0.00 0.00 174.62 173.22 2dmk s VAL 84 N 3.77 4.95 0.14 3.82 1.01 -0.22 -4.90 120.40 128.97 2dmk s VAL 84 Ca 0.43 1.51 0.08 0.00 0.00 0.00 0.00 61.98 64.00 2dmk s VAL 84 Cb -0.11 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2dmk s VAL 84 CO 0.20 0.29 -0.11 -1.00 0.00 0.00 0.00 175.10 174.49 2dmk s HIS 85 N 0.51 2.66 0.00 5.22 3.76 -1.26 -2.56 115.29 123.62 2dmk s HIS 85 Ca 0.38 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 2dmk s HIS 85 Cb -0.19 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.15 2dmk s HIS 85 CO 0.20 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.96 2dmk n GLY 86 N 0.41 0.86 3.89 -2.22 0.00 -1.14 -5.04 105.19 101.94 2dmk n GLY 86 Ca -0.13 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.56 3.06 0.02 0.99 1.43 -0.26 -5.07 118.68 118.30 2dmk s LEU 87 Ca 0.00 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 2dmk s LEU 87 Cb 0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2dmk s LEU 87 CO 0.00 -0.89 0.02 -1.10 0.23 0.00 0.00 176.35 174.61 2dmk s GLN 88 N -4.22 2.82 0.66 1.70 -0.21 -1.26 -4.51 119.66 114.64 2dmk s GLN 88 Ca 0.43 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 55.06 2dmk s GLN 88 Cb -0.02 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 2dmk s GLN 88 CO 0.26 0.61 1.06 -1.54 -2.12 0.00 0.00 175.29 173.56 2dmk s SER 89 N -1.77 5.47 -1.83 5.90 1.04 -1.23 -3.63 113.70 117.65 2dmk s SER 89 Ca 0.22 1.73 -0.21 0.00 0.48 0.00 0.00 55.95 58.17 2dmk s SER 89 Cb -0.12 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.69 2dmk s SER 89 CO 0.13 -1.38 0.59 0.61 0.98 0.00 0.00 173.24 174.17 2dmk n GLY 90 N -1.46 -0.39 3.09 7.32 0.00 -1.11 -4.91 105.19 107.74 2dmk n GLY 90 Ca 0.08 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.35 0.99 0.49 2.61 2.01 -1.24 -4.96 115.64 112.19 2dmk s THR 91 Ca 0.75 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 2dmk s THR 91 Cb -0.43 -0.85 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 2dmk s THR 91 CO 1.01 0.19 1.10 -0.13 -0.69 0.00 0.00 174.62 176.10 2dmk s ARG 92 N -0.54 3.67 -0.21 4.92 0.52 -1.26 -3.35 118.95 122.71 2dmk s ARG 92 Ca 0.04 1.56 -0.05 0.00 -0.52 0.00 0.00 55.73 56.76 2dmk s ARG 92 Cb -0.06 -2.18 0.10 0.00 0.52 0.00 0.00 34.95 33.33 2dmk s ARG 92 CO 0.00 -0.58 0.39 0.71 0.02 0.00 0.00 175.30 175.85 2dmk s TYR 93 N -1.77 -0.78 0.07 -0.53 2.02 0.81 -3.05 117.35 114.12 2dmk s TYR 93 Ca 0.67 1.27 -0.18 0.00 -0.37 0.00 0.00 57.07 58.46 2dmk s TYR 93 Cb -0.23 0.19 -0.07 0.00 -0.40 0.00 0.00 41.96 41.46 2dmk s TYR 93 CO 0.27 -0.55 0.55 0.42 -1.57 0.00 0.00 175.55 174.67 2dmk s ILE 94 N 2.58 4.79 -0.05 2.71 1.01 -1.01 -1.70 121.20 129.52 2dmk s ILE 94 Ca 0.03 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.86 2dmk s ILE 94 Cb -0.13 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 2dmk s ILE 94 CO -0.13 0.53 -0.18 -0.36 0.00 0.00 0.00 174.94 174.79 2dmk s PHE 95 N -1.14 1.86 -0.20 3.97 0.40 -0.63 -2.76 117.98 119.46 2dmk s PHE 95 Ca 0.29 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 2dmk s PHE 95 Cb -0.19 -1.25 0.07 0.00 0.51 0.00 0.00 43.02 42.16 2dmk s PHE 95 CO 0.18 -0.21 0.08 0.42 0.70 0.00 0.00 175.22 176.40 2dmk s ILE 96 N 0.11 0.11 -0.11 0.64 1.01 -0.03 -0.79 121.20 122.14 2dmk s ILE 96 Ca -0.06 -0.42 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 2dmk s ILE 96 Cb -0.13 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 2dmk s ILE 96 CO 0.03 -0.36 0.87 -0.69 0.00 0.00 0.00 174.94 174.79 2dmk s VAL 97 N 2.04 4.89 -0.30 2.92 1.01 -1.26 -2.05 120.40 127.64 2dmk s VAL 97 Ca 0.03 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 2dmk s VAL 97 Cb -0.16 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2dmk s VAL 97 CO -0.14 0.09 0.00 -0.75 0.00 0.00 0.00 175.10 174.30 2dmk s LYS 98 N 1.64 2.34 -0.05 2.72 2.20 0.52 -2.48 119.74 126.63 2dmk s LYS 98 Ca 0.43 -1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 2dmk s LYS 98 Cb -0.18 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2dmk s LYS 98 CO 0.17 -0.66 0.96 0.00 -0.36 0.00 0.00 175.35 175.47 2dmk s ALA 99 N 1.21 3.28 -0.08 3.13 0.00 -1.17 -1.63 121.76 126.51 2dmk s ALA 99 Ca -0.04 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.38 2dmk s ALA 99 Cb -0.20 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2dmk s ALA 99 CO -0.02 -0.39 -0.22 0.42 0.00 0.00 0.00 175.76 175.56 2dmk s ILE 100 N 1.44 2.33 0.17 0.00 1.09 -1.04 -1.88 121.20 123.32 2dmk s ILE 100 Ca 0.49 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 59.13 2dmk s ILE 100 Cb -0.19 -1.89 -0.01 0.00 -1.06 0.00 0.00 42.46 39.30 2dmk s ILE 100 CO 0.23 0.56 0.13 -0.46 -0.10 0.00 0.00 174.94 175.30 2dmk n ASN 101 N 3.17 -0.15 -0.12 3.58 6.94 0.72 -1.83 115.26 127.57 2dmk n ASN 101 Ca -0.18 -2.12 0.05 0.00 -0.02 0.00 0.00 54.58 52.32 2dmk n ASN 101 Cb 0.52 0.81 0.38 0.00 -2.36 0.00 0.00 39.78 39.13 2dmk n ASN 101 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2dmk h GLN 102 N 0.00 0.67 0.49 -3.83 3.07 -1.95 -3.02 115.11 110.54 2dmk h GLN 102 Ca -0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.55 2dmk h GLN 102 Cb 0.61 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.03 2dmk h GLN 102 CO 0.19 0.44 -0.24 0.00 0.09 0.00 0.00 178.83 179.31 2dmk h ALA 103 N 1.65 -0.66 -3.00 0.06 0.00 -1.86 -3.50 119.26 111.94 2dmk h ALA 103 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dmk h ALA 103 Cb 0.13 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dmk h ALA 103 CO -0.07 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 178.96 2dmk n GLY 104 N 0.03 1.47 3.13 0.00 0.00 -1.14 -4.91 105.19 103.77 2dmk n GLY 104 Ca -0.09 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2dmk n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmk s SER 105 N 2.00 0.14 -0.13 1.61 0.15 -1.26 -0.20 113.70 116.01 2dmk s SER 105 Ca 0.00 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 2dmk s SER 105 Cb 0.00 0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.60 2dmk s SER 105 CO 0.00 -0.52 0.08 -0.60 1.20 0.00 0.00 173.24 173.39 2dmk s ARG 106 N -2.60 0.08 -0.09 5.44 6.06 -0.79 -4.74 118.95 122.31 2dmk s ARG 106 Ca -0.05 0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 52.92 2dmk s ARG 106 Cb -0.01 -1.46 -0.02 0.00 0.06 0.00 0.00 34.95 33.52 2dmk s ARG 106 CO -0.04 -0.56 0.99 -0.80 -2.50 0.00 0.00 175.30 172.38 2dmk s ASN 107 N 2.12 7.24 0.91 -2.12 -0.87 -1.26 -3.03 114.94 117.94 2dmk s ASN 107 Ca 0.03 1.52 -0.13 0.00 -1.57 0.00 0.00 52.86 52.70 2dmk s ASN 107 Cb -0.15 -2.55 0.18 0.00 -0.02 0.00 0.00 41.25 38.71 2dmk s ASN 107 CO -0.07 -0.41 1.26 -0.94 -2.57 0.00 0.00 177.10 174.37 2dmk s SER 108 N 1.08 3.42 0.48 -1.22 1.04 -1.03 -5.03 113.70 112.44 2dmk s SER 108 Ca 0.48 0.22 -0.21 0.00 0.48 0.00 0.00 55.95 56.93 2dmk s SER 108 Cb -0.19 -0.36 -0.08 0.00 0.10 0.00 0.00 66.02 65.50 2dmk s SER 108 CO 0.19 -2.53 1.06 -1.61 0.98 0.00 0.00 173.24 171.33 2dmk s GLU 109 N -5.75 3.80 -0.16 4.02 2.02 -1.26 -4.78 118.70 116.58 2dmk s GLU 109 Ca 0.72 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.86 2dmk s GLU 109 Cb -0.05 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 2dmk s GLU 109 CO 0.51 -0.45 1.56 -1.25 0.02 0.00 0.00 175.26 175.66 2dmk s PRO 110 N -3.09 4.00 -0.42 0.39 0.04 -1.26 -4.69 135.00 129.97 2dmk s PRO 110 Ca 0.66 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2dmk s PRO 110 Cb -0.19 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.40 2dmk s PRO 110 CO 0.23 -1.04 0.46 0.99 0.04 0.00 0.00 177.00 177.67 2dmk s THR 111 N 4.51 5.06 0.07 1.26 2.01 0.03 -4.89 115.64 123.69 2dmk s THR 111 Ca 0.69 -0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 2dmk s THR 111 Cb -0.27 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 2dmk s THR 111 CO 0.27 -0.44 1.25 -0.13 -0.69 0.00 0.00 174.62 174.88 2dmk s ARG 112 N 2.20 4.40 -0.02 4.92 1.81 -1.26 -1.61 118.95 129.39 2dmk s ARG 112 Ca 0.13 1.85 -0.03 0.00 -1.72 0.00 0.00 55.73 55.96 2dmk s ARG 112 Cb -0.17 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 2dmk s ARG 112 CO 0.14 -0.31 0.08 -0.51 -0.68 0.00 0.00 175.30 174.02 2dmk s LEU 113 N 1.09 1.73 0.10 2.53 1.43 -0.69 -5.00 118.68 119.88 2dmk s LEU 113 Ca 0.60 0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 2dmk s LEU 113 Cb -0.31 0.32 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 2dmk s LEU 113 CO 0.29 -0.11 -0.25 -0.54 0.23 0.00 0.00 176.35 175.98 2dmk s LYS 114 N -0.34 1.39 0.60 1.70 1.02 -1.26 -0.14 119.74 122.71 2dmk s LYS 114 Ca -0.04 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.72 2dmk s LYS 114 Cb -0.03 -1.74 0.04 0.00 -0.52 0.00 0.00 37.83 35.59 2dmk s LYS 114 CO 0.00 0.42 0.84 0.95 -0.92 0.00 0.00 175.35 176.64 2dmk s THR 115 N -1.02 2.55 0.70 2.17 -4.23 -1.21 -4.75 115.64 109.85 2dmk s THR 115 Ca 0.11 -0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 60.00 2dmk s THR 115 Cb -0.10 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.82 2dmk s THR 115 CO 0.04 0.00 1.00 0.20 -0.54 0.00 0.00 174.62 175.32 2dmk s ASN 116 N -4.46 4.74 1.04 3.99 0.01 -1.25 -4.06 114.94 114.95 2dmk s ASN 116 Ca 0.58 0.32 -0.13 0.00 -0.71 0.00 0.00 52.86 52.93 2dmk s ASN 116 Cb -0.10 -0.95 0.20 0.00 0.41 0.00 0.00 41.25 40.81 2dmk s ASN 116 CO 0.40 -1.62 0.46 -0.24 -1.51 0.00 0.00 177.10 174.58 2dmk n SER 117 N -2.89 -3.05 -4.76 -1.22 2.88 -1.26 -2.76 113.62 100.57 2dmk n SER 117 Ca 0.09 -0.46 -0.40 0.00 -1.33 0.00 0.00 58.87 56.77 2dmk n SER 117 Cb 0.60 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 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 -3.59 4.76 0.33 -1.46 0.74 -1.26 -4.59 119.66 114.59 2dmk s GLN 118 Ca 0.35 1.39 -0.06 0.00 0.05 0.00 0.00 55.36 57.10 2dmk s GLN 118 Cb -0.06 -3.28 0.08 0.00 1.10 0.00 0.00 33.01 30.85 2dmk s GLN 118 CO 0.30 0.51 0.29 -0.35 -0.55 0.00 0.00 175.29 175.48 2dmk n PRO 119 N 1.64 -1.60 -2.53 1.67 -0.04 -1.26 -4.95 135.00 127.92 2dmk n PRO 119 Ca -0.03 -0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 62.54 2dmk n PRO 119 Cb 0.48 -0.44 -0.02 0.00 -0.04 0.00 0.00 33.50 33.47 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 -1.53 3.14 0.14 0.54 0.08 -1.26 -5.03 117.98 114.07 2dmk s PHE 120 Ca 0.19 1.26 -0.01 0.00 0.12 0.00 0.00 56.93 58.49 2dmk s PHE 120 Cb -0.02 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 2dmk s PHE 120 CO 0.15 -1.08 0.32 -1.59 -0.10 0.00 0.00 175.22 172.92 2dmk s LYS 121 N 2.96 3.51 0.05 0.44 -2.85 -1.26 -5.10 119.74 117.49 2dmk s LYS 121 Ca 0.51 -0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.87 2dmk s LYS 121 Cb -0.20 -2.91 0.09 0.00 -2.06 0.00 0.00 37.83 32.75 2dmk s LYS 121 CO 0.14 0.49 0.99 0.45 0.10 0.00 0.00 175.35 177.52 2dmk s SER 122 N -2.81 -0.23 0.67 0.03 0.15 -1.26 -5.18 113.70 105.07 2dmk s SER 122 Ca 0.38 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dmk s SER 122 Cb -0.12 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dmk s SER 122 CO 0.28 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2dmk n GLY 123 N -0.36 -1.51 3.56 9.45 0.00 -1.26 -4.88 105.19 110.19 2dmk n GLY 123 Ca -0.07 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.02 2.56 -0.29 1.61 0.04 -1.26 -4.86 135.00 130.79 2dmk s PRO 124 Ca 0.00 -0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.70 2dmk s PRO 124 Cb 0.00 -4.96 0.13 0.00 0.04 0.00 0.00 34.50 29.71 2dmk s PRO 124 CO 0.00 -3.28 0.96 -1.54 0.04 0.00 0.00 177.00 173.18 2dmk s SER 125 N 8.05 -0.54 -1.31 6.66 1.04 -1.26 -4.96 113.70 121.38 2dmk s SER 125 Ca 0.70 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.98 2dmk s SER 125 Cb -0.08 1.11 0.01 0.00 0.10 0.00 0.00 66.02 67.16 2dmk s SER 125 CO 0.03 -0.15 1.13 -1.20 0.98 0.00 0.00 173.24 174.03 2dmk n SER 126 N 3.21 -5.48 0.00 7.02 7.64 -1.26 -5.09 113.62 119.66 2dmk n SER 126 Ca -0.16 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2dmk n SER 126 Cb 0.57 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64