#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcr n SER 2 N 0.00 0.00 -0.00 1.61 7.64 -1.26 -4.94 113.62 116.67 2dcr n SER 2 Ca 0.00 -1.00 0.03 0.00 1.01 0.00 0.00 58.87 58.91 2dcr n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2dcr n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dcr n SER 3 N 0.00 2.42 0.00 6.43 7.64 -1.26 -5.03 113.62 123.81 2dcr n SER 3 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2dcr n SER 3 Cb 0.36 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 2dcr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 4 N 1.79 0.00 3.44 0.23 0.00 -1.26 -4.90 105.19 104.49 2dcr n GLY 4 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2dcr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dcr s SER 5 N -2.00 2.29 0.00 1.61 0.15 -1.26 -5.08 113.70 109.41 2dcr s SER 5 Ca 0.00 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.08 2dcr s SER 5 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2dcr s SER 5 CO 0.00 -0.85 0.00 -1.54 1.20 0.00 0.00 173.24 172.05 2dcr n SER 6 N -1.05 0.14 -3.39 5.45 3.41 -1.26 -5.07 113.62 111.85 2dcr n SER 6 Ca -0.03 -0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.59 2dcr n SER 6 Cb 0.65 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 2dcr n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dcr s GLY 7 N -0.10 0.35 -0.01 5.00 0.00 -1.26 -5.10 107.32 106.20 2dcr s GLY 7 Ca 0.00 3.64 0.13 0.00 0.00 0.00 0.00 44.72 48.49 2dcr s GLY 7 CO 0.00 3.11 1.09 1.18 0.00 0.00 0.00 173.10 178.48 2dcr n GLU 8 N 4.03 0.11 -0.09 2.90 1.02 -1.26 -4.93 120.64 122.42 2dcr n GLU 8 Ca -0.11 -1.60 -0.07 0.00 -0.02 0.00 0.00 57.16 55.36 2dcr n GLU 8 Cb 0.56 -0.36 -0.01 0.00 -0.02 0.00 0.00 31.44 31.61 2dcr n GLU 8 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dcr h VAL 9 N 6.49 0.33 0.00 2.62 2.07 -1.98 -1.52 116.25 124.26 2dcr h VAL 9 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2dcr h VAL 9 Cb 1.59 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dcr h VAL 9 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2dcr n GLN 10 N -5.40 0.23 -0.59 1.57 1.13 -1.26 -4.07 117.38 108.99 2dcr n GLN 10 Ca 0.01 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.78 2dcr n GLN 10 Cb 0.31 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.37 2dcr n GLN 10 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dcr n LYS 11 N -1.38 -1.28 -0.60 -1.09 5.02 -0.57 -5.01 118.16 113.24 2dcr n LYS 11 Ca 0.11 -0.32 -0.29 0.00 -2.02 0.00 0.00 58.31 55.78 2dcr n LYS 11 Cb 0.28 -2.29 0.22 0.00 -0.02 0.00 0.00 35.03 33.22 2dcr n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dcr s PRO 12 N -4.53 -0.09 0.37 1.97 0.04 -1.26 -4.91 135.00 126.58 2dcr s PRO 12 Ca 0.68 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.93 2dcr s PRO 12 Cb -0.24 -1.63 0.70 0.00 0.04 0.00 0.00 34.50 33.37 2dcr s PRO 12 CO 0.61 -3.26 1.98 1.25 0.04 0.00 0.00 177.00 177.62 2dcr h LEU 13 N -2.31 0.58 0.00 -3.56 6.46 -1.95 -3.08 115.31 111.45 2dcr h LEU 13 Ca -0.53 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 2dcr h LEU 13 Cb 1.30 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2dcr h LEU 13 CO 0.46 0.48 0.00 0.00 -0.62 0.00 0.00 178.44 178.76 2dcr n HIS 14 N -4.40 0.00 0.13 1.25 1.44 -1.26 -1.66 115.22 110.72 2dcr n HIS 14 Ca 0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.78 2dcr n HIS 14 Cb 0.11 -0.22 0.06 0.00 0.12 0.00 0.00 29.99 30.06 2dcr n HIS 14 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2dcr n GLU 15 N -1.22 1.23 -1.38 -1.40 1.02 -1.16 -4.13 120.64 113.60 2dcr n GLU 15 Ca 0.09 -1.33 -0.31 0.00 -0.02 0.00 0.00 57.16 55.60 2dcr n GLU 15 Cb 0.12 -1.16 0.09 0.00 -0.02 0.00 0.00 31.44 30.47 2dcr n GLU 15 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2dcr s GLN 16 N -0.78 2.18 -0.25 3.49 -1.52 -0.66 -4.65 119.66 117.48 2dcr s GLN 16 Ca 0.11 0.94 -0.16 0.00 -1.95 0.00 0.00 55.36 54.30 2dcr s GLN 16 Cb 0.07 -1.91 -0.12 0.00 -0.22 0.00 0.00 33.01 30.83 2dcr s GLN 16 CO 0.10 -1.63 -0.24 1.47 -0.25 0.00 0.00 175.29 174.74 2dcr n LEU 17 N -3.48 1.93 0.00 2.90 -0.00 -1.26 -3.92 117.00 113.17 2dcr n LEU 17 Ca 0.08 0.36 0.04 0.00 -0.00 0.00 0.00 56.01 56.49 2dcr n LEU 17 Cb 0.54 -0.84 0.18 0.00 -0.00 0.00 0.00 43.42 43.30 2dcr n LEU 17 CO 0.55 0.39 0.61 -2.67 -0.00 0.00 0.00 177.39 176.27 2dcr n TRP 18 N -4.32 0.00 -2.59 1.47 4.27 -1.12 -0.91 117.44 114.24 2dcr n TRP 18 Ca -0.44 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 52.75 2dcr n TRP 18 Cb 0.79 -0.44 -0.03 0.00 -1.36 0.00 0.00 31.31 30.27 2dcr n TRP 18 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2dcr s TYR 19 N -2.88 2.50 -0.01 -2.67 5.04 -1.25 -0.63 117.35 117.44 2dcr s TYR 19 Ca 0.05 -0.64 -0.20 0.00 -2.44 0.00 0.00 57.07 53.84 2dcr s TYR 19 Cb 0.05 -4.64 -0.28 0.00 0.35 0.00 0.00 41.96 37.44 2dcr s TYR 19 CO 0.14 -1.94 1.01 0.45 -1.34 0.00 0.00 175.55 173.87 2dcr h HIS 20 N 9.79 0.67 0.00 4.97 3.86 -1.62 -3.42 115.15 129.40 2dcr h HIS 20 Ca 0.04 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2dcr h HIS 20 Cb 1.02 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2dcr h HIS 20 CO 1.22 1.30 0.00 0.41 0.86 0.00 0.00 177.93 181.72 2dcr n GLY 21 N 1.41 0.47 3.55 2.45 0.00 -1.25 -3.19 105.19 108.63 2dcr n GLY 21 Ca -0.13 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2dcr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcr s ALA 22 N -1.76 3.49 0.03 4.61 0.00 -1.26 -1.04 121.76 125.82 2dcr s ALA 22 Ca 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 51.96 48.94 2dcr s ALA 22 Cb 0.00 -4.50 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2dcr s ALA 22 CO 0.00 -3.16 0.10 -1.50 0.00 0.00 0.00 175.76 171.20 2dcr s ILE 23 N 3.53 4.79 0.65 0.00 2.07 -1.26 -4.89 121.20 126.08 2dcr s ILE 23 Ca 0.51 -0.51 -0.14 0.00 -1.41 0.00 0.00 60.65 59.10 2dcr s ILE 23 Cb 0.02 -3.25 -0.01 0.00 0.13 0.00 0.00 42.46 39.35 2dcr s ILE 23 CO 0.05 0.25 1.07 -2.16 -1.91 0.00 0.00 174.94 172.24 2dcr s PRO 24 N -2.06 3.05 0.57 3.50 0.04 -1.26 -4.67 135.00 134.17 2dcr s PRO 24 Ca 0.27 1.15 0.27 0.00 0.04 0.00 0.00 61.00 62.72 2dcr s PRO 24 Cb -0.12 -2.00 1.68 0.00 0.04 0.00 0.00 34.50 34.10 2dcr s PRO 24 CO 0.19 -1.02 2.21 0.07 0.04 0.00 0.00 177.00 178.49 2dcr h ARG 25 N -0.09 0.00 -0.25 4.56 0.11 -1.99 -2.57 114.38 114.16 2dcr h ARG 25 Ca -0.46 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.43 2dcr h ARG 25 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2dcr h ARG 25 CO 0.56 0.00 -0.59 0.00 0.10 0.00 0.00 179.97 180.04 2dcr h ALA 26 N 1.97 0.40 -0.36 0.08 0.00 -2.03 -3.27 119.26 116.07 2dcr h ALA 26 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2dcr h ALA 26 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2dcr h ALA 26 CO -0.00 0.65 0.07 0.93 0.00 0.00 0.00 179.25 180.90 2dcr h GLU 27 N 0.60 0.52 -0.59 0.00 4.39 -1.84 -2.88 114.58 114.78 2dcr h GLU 27 Ca -0.00 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.66 2dcr h GLU 27 Cb 1.21 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 2dcr h GLU 27 CO 0.13 0.50 -0.35 0.28 -1.16 0.00 0.00 179.01 178.40 2dcr n VAL 28 N -4.33 -0.40 0.57 3.13 0.31 -1.23 -1.64 118.33 114.73 2dcr n VAL 28 Ca 0.02 1.92 0.07 0.00 -0.01 0.00 0.00 64.34 66.34 2dcr n VAL 28 Cb 0.19 -2.42 0.33 0.00 -0.91 0.00 0.00 33.84 31.03 2dcr n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dcr n ALA 29 N -3.17 1.72 0.02 3.52 0.00 -1.09 -0.60 120.51 120.91 2dcr n ALA 29 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2dcr n ALA 29 Cb 0.15 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 2dcr n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dcr h GLU 30 N 0.00 0.00 0.13 0.00 4.57 -1.45 -3.40 114.58 114.43 2dcr h GLU 30 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2dcr h GLU 30 Cb 0.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2dcr h GLU 30 CO 0.00 0.57 -1.59 -0.07 -1.18 0.00 0.00 179.01 176.75 2dcr h LEU 31 N 0.00 0.44 -9.81 1.64 3.38 -0.53 -3.45 115.31 106.99 2dcr h LEU 31 Ca -0.17 -0.88 -0.48 0.00 0.09 0.00 0.00 57.88 56.44 2dcr h LEU 31 Cb 1.80 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 2dcr h LEU 31 CO 0.08 1.70 0.33 -0.76 0.09 0.00 0.00 178.44 179.88 2dcr s LEU 32 N -7.42 4.51 0.00 1.67 1.43 -0.10 -4.96 118.68 113.82 2dcr s LEU 32 Ca -0.20 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 2dcr s LEU 32 Cb 0.05 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2dcr s LEU 32 CO 0.78 0.07 0.00 0.52 0.23 0.00 0.00 176.35 177.95 2dcr n VAL 33 N 1.09 0.00 -4.34 -1.59 0.31 -1.26 -4.71 118.33 107.83 2dcr n VAL 33 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 2dcr n VAL 33 Cb 0.48 -0.21 -0.09 0.00 -0.91 0.00 0.00 33.84 33.12 2dcr n VAL 33 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dcr s HIS 34 N -1.36 2.56 0.03 3.52 3.76 -1.26 -5.06 115.29 117.48 2dcr s HIS 34 Ca 0.00 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 2dcr s HIS 34 Cb 0.00 -1.16 -0.07 0.00 1.11 0.00 0.00 32.58 32.45 2dcr s HIS 34 CO 0.00 0.61 1.62 -1.54 -0.85 0.00 0.00 174.74 174.58 2dcr s SER 35 N -3.35 6.66 0.00 1.40 1.04 -1.26 -2.45 113.70 115.74 2dcr s SER 35 Ca 0.29 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2dcr s SER 35 Cb -0.07 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2dcr s SER 35 CO 0.17 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2dcr n GLY 36 N 3.98 1.28 3.69 7.32 0.00 -0.09 -4.90 105.19 116.47 2dcr n GLY 36 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2dcr n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dcr n ASP 37 N 0.00 3.68 -4.12 1.61 9.92 -1.03 -1.07 116.55 125.55 2dcr n ASP 37 Ca 0.00 1.05 -0.10 0.00 -0.53 0.00 0.00 54.79 55.20 2dcr n ASP 37 Cb 0.00 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 38.87 2dcr n ASP 37 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2dcr s PHE 38 N 1.53 0.75 0.04 1.24 -0.12 0.07 -1.91 117.98 119.57 2dcr s PHE 38 Ca 0.79 -0.82 -0.07 0.00 -0.05 0.00 0.00 56.93 56.77 2dcr s PHE 38 Cb -0.57 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.36 2dcr s PHE 38 CO 0.36 -0.17 0.13 -0.48 -0.05 0.00 0.00 175.22 175.01 2dcr s LEU 39 N -2.60 1.65 -0.25 -1.99 0.05 -0.29 -2.67 118.68 112.59 2dcr s LEU 39 Ca 0.05 -0.49 -0.11 0.00 0.05 0.00 0.00 54.13 53.63 2dcr s LEU 39 Cb 0.01 0.73 -0.05 0.00 -2.05 0.00 0.00 46.19 44.83 2dcr s LEU 39 CO -0.04 -0.53 0.18 -0.69 -0.55 0.00 0.00 176.35 174.72 2dcr s VAL 40 N -2.66 5.34 0.30 1.48 1.01 0.19 -0.99 120.40 125.07 2dcr s VAL 40 Ca -0.04 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.25 2dcr s VAL 40 Cb -0.01 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2dcr s VAL 40 CO -0.05 0.31 -0.09 0.00 0.00 0.00 0.00 175.10 175.28 2dcr s ARG 41 N 1.27 1.93 0.51 2.72 1.70 -0.20 -2.05 118.95 124.82 2dcr s ARG 41 Ca 0.08 -1.72 -0.05 0.00 -0.47 0.00 0.00 55.73 53.57 2dcr s ARG 41 Cb -0.14 -1.88 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 2dcr s ARG 41 CO 0.06 0.26 0.81 -2.00 -1.08 0.00 0.00 175.30 173.35 2dcr s GLU 42 N -3.61 3.41 0.15 3.89 2.12 -0.21 -0.19 118.70 124.26 2dcr s GLU 42 Ca 0.32 0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 2dcr s GLU 42 Cb -0.03 -2.35 0.03 0.00 0.26 0.00 0.00 34.13 32.04 2dcr s GLU 42 CO 0.17 -0.31 0.20 0.45 -0.54 0.00 0.00 175.26 175.23 2dcr n SER 43 N -2.33 0.03 0.00 -1.70 2.88 0.35 -4.30 113.62 108.55 2dcr n SER 43 Ca 0.01 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 2dcr n SER 43 Cb 0.56 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2dcr n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dcr n GLN 44 N -1.42 0.00 0.00 -1.46 1.13 -1.26 -4.64 117.38 109.74 2dcr n GLN 44 Ca 0.03 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.16 2dcr n GLN 44 Cb 0.09 -0.45 -0.09 0.00 0.11 0.00 0.00 30.24 29.90 2dcr n GLN 44 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dcr n GLY 45 N 0.68 -0.44 3.77 1.08 0.00 -1.26 -5.01 105.19 104.01 2dcr n GLY 45 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2dcr n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dcr s LYS 46 N -2.44 1.72 -0.85 1.61 -0.14 -1.26 -4.97 119.74 113.41 2dcr s LYS 46 Ca 0.06 0.66 -0.02 0.00 -1.36 0.00 0.00 55.97 55.31 2dcr s LYS 46 Cb 0.11 -1.87 0.35 0.00 -1.68 0.00 0.00 37.83 34.74 2dcr s LYS 46 CO 0.62 -1.88 2.01 1.04 -0.76 0.00 0.00 175.35 176.38 2dcr n GLN 47 N -3.61 2.84 -4.26 1.68 6.02 -1.26 -4.50 117.38 114.28 2dcr n GLN 47 Ca 0.07 -3.57 -0.18 0.00 -0.01 0.00 0.00 57.00 53.31 2dcr n GLN 47 Cb 0.56 -2.28 -0.15 0.00 1.02 0.00 0.00 30.24 29.40 2dcr n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dcr s GLU 48 N -4.08 0.67 0.37 -1.09 2.12 -1.26 -5.04 118.70 110.39 2dcr s GLU 48 Ca 0.52 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.64 2dcr s GLU 48 Cb 0.43 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 2dcr s GLU 48 CO -0.41 0.10 0.56 0.71 -0.54 0.00 0.00 175.26 175.68 2dcr s TYR 49 N 0.12 3.36 -0.04 5.30 2.02 -1.26 -0.50 117.35 126.34 2dcr s TYR 49 Ca -0.01 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2dcr s TYR 49 Cb -0.06 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2dcr s TYR 49 CO -0.00 -0.01 0.02 0.08 -1.57 0.00 0.00 175.55 174.06 2dcr s VAL 50 N -2.34 0.14 -0.05 0.71 1.01 0.73 -1.05 120.40 119.54 2dcr s VAL 50 Ca 0.43 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 2dcr s VAL 50 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2dcr s VAL 50 CO 0.35 0.18 0.89 -0.22 0.00 0.00 0.00 175.10 176.30 2dcr s LEU 51 N 1.52 4.31 -0.21 3.92 2.96 0.11 -1.04 118.68 130.25 2dcr s LEU 51 Ca -0.03 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 2dcr s LEU 51 Cb -0.13 -3.40 0.05 0.00 0.50 0.00 0.00 46.19 43.21 2dcr s LEU 51 CO -0.03 -0.27 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.25 2dcr s SER 52 N 0.98 3.49 -0.02 3.68 0.01 -0.16 -1.16 113.70 120.53 2dcr s SER 52 Ca 0.46 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dcr s SER 52 Cb -0.19 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.00 2dcr s SER 52 CO 0.22 -0.23 0.01 0.54 0.41 0.00 0.00 173.24 174.20 2dcr s VAL 53 N 1.50 0.04 -0.21 3.43 0.11 -0.77 -1.14 120.40 123.36 2dcr s VAL 53 Ca -0.04 0.11 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 2dcr s VAL 53 Cb -0.18 -0.13 -0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2dcr s VAL 53 CO -0.07 0.09 0.88 -0.22 -3.33 0.00 0.00 175.10 172.45 2dcr s LEU 54 N 0.77 4.12 -0.16 2.54 2.96 -0.80 -0.23 118.68 127.88 2dcr s LEU 54 Ca -0.07 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2dcr s LEU 54 Cb -0.10 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.35 2dcr s LEU 54 CO -0.02 -0.51 0.04 0.86 -1.32 0.00 0.00 176.35 175.40 2dcr s TRP 55 N 2.69 0.74 -1.40 5.38 -0.00 -0.18 -0.91 118.94 125.26 2dcr s TRP 55 Ca 0.38 -0.55 -0.04 0.00 -0.00 0.00 0.00 56.10 55.89 2dcr s TRP 55 Cb -0.16 -0.89 0.03 0.00 -0.00 0.00 0.00 33.47 32.45 2dcr s TRP 55 CO 0.09 -0.51 0.70 -0.25 -0.00 0.00 0.00 176.95 176.97 2dcr n ASP 56 N 5.13 -1.83 0.00 5.86 9.92 -1.26 -1.98 116.55 132.39 2dcr n ASP 56 Ca -0.08 -0.86 0.00 0.00 -0.53 0.00 0.00 54.79 53.32 2dcr n ASP 56 Cb 0.48 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.23 2dcr n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dcr n GLY 57 N -1.69 0.67 3.16 0.44 0.00 -1.26 -4.98 105.19 101.53 2dcr n GLY 57 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2dcr n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dcr s LEU 58 N 0.00 4.31 -0.60 0.99 1.98 -0.84 -5.05 118.68 119.47 2dcr s LEU 58 Ca 0.00 -1.48 -0.26 0.00 -2.89 0.00 0.00 54.13 49.50 2dcr s LEU 58 Cb 0.00 -1.75 -0.06 0.00 0.66 0.00 0.00 46.19 45.04 2dcr s LEU 58 CO 0.00 -0.34 2.18 -2.16 -1.89 0.00 0.00 176.35 174.14 2dcr s PRO 59 N 1.23 2.26 0.68 0.98 0.04 -1.26 -1.01 135.00 137.91 2dcr s PRO 59 Ca -0.01 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 2dcr s PRO 59 Cb -0.20 -4.58 0.01 0.00 0.04 0.00 0.00 34.50 29.76 2dcr s PRO 59 CO -0.02 -3.24 1.14 1.03 0.04 0.00 0.00 177.00 175.95 2dcr s ARG 60 N 7.80 2.62 -0.42 4.56 1.81 0.68 -4.84 118.95 131.17 2dcr s ARG 60 Ca 0.84 1.50 0.04 0.00 -1.72 0.00 0.00 55.73 56.39 2dcr s ARG 60 Cb -0.14 -1.92 0.17 0.00 -0.45 0.00 0.00 34.95 32.61 2dcr s ARG 60 CO 0.20 -1.41 0.37 -3.38 -0.68 0.00 0.00 175.30 170.39 2dcr s HIS 61 N -2.23 0.86 -0.10 -0.53 -3.43 -1.26 -1.84 115.29 106.76 2dcr s HIS 61 Ca 0.69 -2.17 -0.22 0.00 -0.80 0.00 0.00 55.06 52.56 2dcr s HIS 61 Cb -0.23 -0.81 -0.04 0.00 -1.43 0.00 0.00 32.58 30.07 2dcr s HIS 61 CO 0.42 -0.86 0.65 -0.06 -2.00 0.00 0.00 174.74 172.88 2dcr s PHE 62 N 0.15 3.53 0.24 0.38 0.08 -0.31 -4.92 117.98 117.14 2dcr s PHE 62 Ca 0.32 1.13 -0.31 0.00 0.12 0.00 0.00 56.93 58.19 2dcr s PHE 62 Cb 0.03 -2.75 -0.12 0.00 -0.57 0.00 0.00 43.02 39.60 2dcr s PHE 62 CO -0.18 0.06 1.62 -0.89 -0.10 0.00 0.00 175.22 175.73 2dcr n ILE 63 N 3.90 0.54 -1.69 0.64 2.08 -1.26 0.04 119.36 123.61 2dcr n ILE 63 Ca -0.02 -0.13 -0.38 0.00 0.56 0.00 0.00 62.75 62.77 2dcr n ILE 63 Cb 0.51 -1.88 0.06 0.00 -0.75 0.00 0.00 39.64 37.58 2dcr n ILE 63 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2dcr n ILE 64 N 2.91 4.19 -0.65 1.39 2.08 -0.22 -4.76 119.36 124.29 2dcr n ILE 64 Ca 0.12 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.64 2dcr n ILE 64 Cb 0.35 -1.40 0.22 0.00 -0.75 0.00 0.00 39.64 38.06 2dcr n ILE 64 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dcr s GLN 65 N -3.00 -0.24 -0.29 0.38 1.11 -1.26 -4.86 119.66 111.50 2dcr s GLN 65 Ca 0.77 1.01 -0.23 0.00 0.01 0.00 0.00 55.36 56.92 2dcr s GLN 65 Cb -0.41 -1.62 0.18 0.00 -1.01 0.00 0.00 33.01 30.15 2dcr s GLN 65 CO 0.45 -3.32 1.33 0.45 0.01 0.00 0.00 175.29 174.21 2dcr s SER 66 N -2.66 -0.14 0.00 5.90 0.15 -1.26 -4.79 113.70 110.90 2dcr s SER 66 Ca 0.67 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2dcr s SER 66 Cb -0.24 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2dcr s SER 66 CO 0.62 -0.04 0.00 0.00 1.20 0.00 0.00 173.24 175.02 2dcr n LEU 67 N 2.01 0.00 -0.04 3.45 -0.00 -0.63 -4.91 117.00 116.88 2dcr n LEU 67 Ca -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.80 2dcr n LEU 67 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.91 2dcr n LEU 67 CO 0.02 0.00 0.28 -0.78 -0.00 0.00 0.00 177.39 176.91 2dcr h ASP 68 N 0.00 -0.04 0.00 1.45 3.58 -2.02 -3.43 116.42 115.97 2dcr h ASP 68 Ca 0.00 -0.57 -0.12 0.00 0.42 0.00 0.00 57.03 56.76 2dcr h ASP 68 Cb 0.00 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 40.95 2dcr h ASP 68 CO 0.00 0.72 -0.20 -3.20 -2.88 0.00 0.00 179.24 173.68 2dcr n ASN 69 N -4.73 -1.01 -3.69 2.28 2.85 -1.26 -5.15 115.26 104.55 2dcr n ASN 69 Ca -0.07 -1.81 -0.13 0.00 -0.11 0.00 0.00 54.58 52.47 2dcr n ASN 69 Cb 0.29 0.44 -0.06 0.00 1.24 0.00 0.00 39.78 41.70 2dcr n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dcr s LEU 70 N -2.35 0.89 -0.20 1.20 1.43 -1.26 -4.56 118.68 113.83 2dcr s LEU 70 Ca 0.05 -1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2dcr s LEU 70 Cb 0.26 1.24 0.06 0.00 0.03 0.00 0.00 46.19 47.78 2dcr s LEU 70 CO -0.07 -1.13 -0.02 -0.31 0.23 0.00 0.00 176.35 175.04 2dcr s TYR 71 N -3.61 1.78 -0.00 0.29 2.02 -0.79 -1.60 117.35 115.44 2dcr s TYR 71 Ca 0.31 -1.30 0.02 0.00 -0.37 0.00 0.00 57.07 55.73 2dcr s TYR 71 Cb 0.01 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2dcr s TYR 71 CO 0.16 -0.68 -0.08 -0.98 -1.57 0.00 0.00 175.55 172.40 2dcr s ARG 72 N 1.60 0.62 0.10 -0.62 1.04 -1.26 -3.26 118.95 117.17 2dcr s ARG 72 Ca -0.03 -0.33 0.00 0.00 -1.04 0.00 0.00 55.73 54.34 2dcr s ARG 72 Cb -0.17 -0.59 0.00 0.00 -2.04 0.00 0.00 34.95 32.14 2dcr s ARG 72 CO -0.07 0.16 0.00 -0.11 -0.04 0.00 0.00 175.30 175.24 2dcr n LEU 73 N 2.75 1.01 -0.00 -1.89 7.94 -1.26 -4.71 117.00 120.84 2dcr n LEU 73 Ca -0.14 0.14 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2dcr n LEU 73 Cb 0.57 -0.30 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 2dcr n LEU 73 CO 0.25 -0.74 -0.36 1.21 -1.11 0.00 0.00 177.39 176.64 2dcr n GLU 74 N -3.43 2.08 0.00 1.96 2.13 -1.26 -4.98 120.64 117.14 2dcr n GLU 74 Ca 0.00 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2dcr n GLU 74 Cb 0.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2dcr n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dcr n GLY 75 N 1.76 6.03 3.46 8.31 0.00 -1.26 -5.14 105.19 118.35 2dcr n GLY 75 Ca -0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2dcr n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dcr s GLU 76 N 1.54 -1.44 0.32 1.61 -1.05 -1.26 -4.86 118.70 113.56 2dcr s GLU 76 Ca 0.00 0.53 0.08 0.00 -0.15 0.00 0.00 54.97 55.43 2dcr s GLU 76 Cb 0.00 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 32.14 2dcr s GLU 76 CO 0.00 -3.99 0.22 0.20 0.95 0.00 0.00 175.26 172.64 2dcr s GLY 77 N -2.87 1.74 0.16 -3.83 0.00 -1.26 -4.47 107.32 96.80 2dcr s GLY 77 Ca 0.68 -1.65 0.03 0.00 0.00 0.00 0.00 44.72 43.78 2dcr s GLY 77 CO 0.62 -1.61 -0.04 -1.36 0.00 0.00 0.00 173.10 170.70 2dcr s PHE 78 N -2.31 1.22 -1.31 1.90 0.40 -1.20 -4.82 117.98 111.86 2dcr s PHE 78 Ca 0.38 -0.90 0.20 0.00 -0.60 0.00 0.00 56.93 56.01 2dcr s PHE 78 Cb -0.05 -0.68 0.96 0.00 0.51 0.00 0.00 43.02 43.76 2dcr s PHE 78 CO 0.25 -0.08 1.63 -0.35 0.70 0.00 0.00 175.22 177.37 2dcr n PRO 79 N -0.22 0.21 -3.99 0.24 -0.04 -1.26 -1.88 135.00 128.05 2dcr n PRO 79 Ca -0.09 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2dcr n PRO 79 Cb 0.62 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 2dcr n PRO 79 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dcr s SER 80 N -2.69 0.37 0.09 3.54 0.01 -1.26 -4.94 113.70 108.82 2dcr s SER 80 Ca 0.16 -0.40 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 2dcr s SER 80 Cb 0.13 0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.30 2dcr s SER 80 CO 0.32 -0.20 1.68 0.40 0.41 0.00 0.00 173.24 175.84 2dcr h ILE 81 N 4.72 1.09 -0.22 1.44 2.04 -1.95 -3.19 117.51 121.44 2dcr h ILE 81 Ca -0.31 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 2dcr h ILE 81 Cb 1.21 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2dcr h ILE 81 CO 0.43 0.08 -0.10 1.55 0.00 0.00 0.00 178.15 180.11 2dcr h PRO 82 N 0.05 0.35 0.00 2.37 0.13 -1.92 -1.99 132.00 130.99 2dcr h PRO 82 Ca 0.03 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 2dcr h PRO 82 Cb 0.08 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 2dcr h PRO 82 CO -0.01 0.46 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.96 2dcr h LEU 83 N 0.33 0.00 0.09 1.56 4.07 -1.69 -2.43 115.31 117.23 2dcr h LEU 83 Ca 0.07 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.70 2dcr h LEU 83 Cb 0.39 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2dcr h LEU 83 CO 0.02 0.19 -1.82 0.25 -1.08 0.00 0.00 178.44 176.00 2dcr h LEU 84 N 0.00 0.29 -0.89 1.67 7.12 -1.42 -3.38 115.31 118.69 2dcr h LEU 84 Ca -0.00 -0.59 0.19 0.00 0.13 0.00 0.00 57.88 57.61 2dcr h LEU 84 Cb 0.49 -0.09 -0.11 0.00 -0.53 0.00 0.00 40.66 40.41 2dcr h LEU 84 CO 0.02 1.52 0.43 0.40 -0.13 0.00 0.00 178.44 180.69 2dcr h ILE 85 N 0.05 0.58 -0.73 4.05 1.08 -0.87 -1.20 117.51 120.48 2dcr h ILE 85 Ca -0.35 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 2dcr h ILE 85 Cb 2.03 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 2dcr h ILE 85 CO 0.10 0.09 0.42 -0.78 -0.69 0.00 0.00 178.15 177.29 2dcr h ASP 86 N 0.51 0.90 0.54 1.72 3.58 -1.72 0.62 116.42 122.57 2dcr h ASP 86 Ca 0.53 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.90 2dcr h ASP 86 Cb 0.92 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2dcr h ASP 86 CO -0.46 0.72 0.00 1.41 -2.88 0.00 0.00 179.24 178.04 2dcr n HIS 87 N -4.49 0.21 0.12 0.28 8.25 -0.47 -0.51 115.22 118.60 2dcr n HIS 87 Ca 0.06 0.08 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 2dcr n HIS 87 Cb 0.08 -0.63 -0.16 0.00 1.12 0.00 0.00 29.99 30.40 2dcr n HIS 87 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dcr n LEU 88 N -1.69 0.13 -0.03 2.41 7.99 -0.44 -3.96 117.00 121.41 2dcr n LEU 88 Ca 0.03 -0.06 -0.07 0.00 -0.01 0.00 0.00 56.01 55.90 2dcr n LEU 88 Cb 0.18 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.35 2dcr n LEU 88 CO 0.15 0.03 -0.64 -0.11 -1.51 0.00 0.00 177.39 175.31 2dcr n LEU 89 N -2.15 0.64 -0.69 2.23 0.00 0.08 -3.59 117.00 113.53 2dcr n LEU 89 Ca -0.03 0.30 0.09 0.00 0.00 0.00 0.00 56.01 56.37 2dcr n LEU 89 Cb 0.53 0.23 0.08 0.00 0.00 0.00 0.00 43.42 44.25 2dcr n LEU 89 CO 0.45 0.36 0.52 -0.24 0.00 0.00 0.00 177.39 178.48 2dcr n SER 90 N -2.93 2.44 -0.00 1.96 2.88 0.33 -4.24 113.62 114.06 2dcr n SER 90 Ca -0.19 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2dcr n SER 90 Cb 1.03 -0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2dcr n SER 90 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2dcr n THR 91 N 0.96 0.01 -2.52 2.46 -2.24 -1.25 -5.03 114.28 106.66 2dcr n THR 91 Ca 0.10 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 2dcr n THR 91 Cb 0.43 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 2dcr n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dcr n GLN 92 N -1.65 -1.51 -2.03 -0.78 1.13 -1.24 -5.03 117.38 106.27 2dcr n GLN 92 Ca -0.00 0.25 -0.38 0.00 -1.94 0.00 0.00 57.00 54.93 2dcr n GLN 92 Cb 0.14 -3.72 0.01 0.00 0.11 0.00 0.00 30.24 26.78 2dcr n GLN 92 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dcr s GLN 93 N -4.92 3.51 0.27 -1.09 -0.21 -1.25 -4.84 119.66 111.13 2dcr s GLN 93 Ca 0.10 2.02 -0.29 0.00 0.02 0.00 0.00 55.36 57.21 2dcr s GLN 93 Cb -0.04 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.49 2dcr s GLN 93 CO 0.12 -0.82 1.02 -1.25 -2.12 0.00 0.00 175.29 172.24 2dcr s PRO 94 N -2.74 4.69 0.26 2.91 0.04 -1.26 -4.34 135.00 134.56 2dcr s PRO 94 Ca 0.66 1.63 0.17 0.00 0.04 0.00 0.00 61.00 63.50 2dcr s PRO 94 Cb -0.35 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.10 2dcr s PRO 94 CO 0.42 0.32 1.34 -0.07 0.04 0.00 0.00 177.00 179.05 2dcr h LEU 95 N 3.82 0.00 -7.00 -3.56 3.38 -0.83 -3.42 115.31 107.70 2dcr h LEU 95 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2dcr h LEU 95 Cb 1.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 2dcr h LEU 95 CO 0.67 0.42 0.17 0.28 0.09 0.00 0.00 178.44 180.07 2dcr s THR 96 N -3.01 0.00 -2.00 0.22 -1.32 -1.26 -4.84 115.64 103.43 2dcr s THR 96 Ca 0.03 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.57 2dcr s THR 96 Cb 0.07 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.24 2dcr s THR 96 CO 0.75 0.00 0.77 1.17 -2.21 0.00 0.00 174.62 175.10 2dcr n LYS 97 N 2.14 0.24 0.08 7.08 3.00 -1.26 -0.73 118.16 128.71 2dcr n LYS 97 Ca -0.15 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2dcr n LYS 97 Cb 0.56 -1.39 -0.03 0.00 0.00 0.00 0.00 35.03 34.17 2dcr n LYS 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dcr n LYS 98 N -0.89 0.61 0.00 1.64 4.76 -1.26 -4.76 118.16 118.26 2dcr n LYS 98 Ca 0.05 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2dcr n LYS 98 Cb 0.02 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2dcr n LYS 98 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dcr n SER 99 N -2.75 0.00 -1.44 4.39 7.64 -0.79 -5.05 113.62 115.63 2dcr n SER 99 Ca -0.03 -0.16 -0.18 0.00 1.01 0.00 0.00 58.87 59.51 2dcr n SER 99 Cb 0.65 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.77 2dcr n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 100 N 0.00 1.68 3.72 0.23 0.00 0.09 -4.93 105.19 105.99 2dcr n GLY 100 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2dcr n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dcr n VAL 101 N -2.23 2.48 -4.17 1.61 0.31 -1.26 -4.65 118.33 110.41 2dcr n VAL 101 Ca -0.18 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.50 2dcr n VAL 101 Cb 0.62 -1.67 -0.11 0.00 -0.91 0.00 0.00 33.84 31.77 2dcr n VAL 101 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dcr s VAL 102 N -1.18 0.95 0.24 2.52 -7.23 -1.26 -0.17 120.40 114.28 2dcr s VAL 102 Ca 0.59 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 2dcr s VAL 102 Cb -0.50 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.06 2dcr s VAL 102 CO 0.59 -0.50 1.01 -0.76 -0.31 0.00 0.00 175.10 175.13 2dcr s LEU 103 N -2.31 4.59 0.00 1.32 1.43 -1.24 -4.80 118.68 117.68 2dcr s LEU 103 Ca 0.04 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2dcr s LEU 103 Cb -0.04 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2dcr s LEU 103 CO 0.00 0.01 0.00 1.41 0.23 0.00 0.00 176.35 178.00 2dcr n HIS 104 N 1.51 0.00 -3.99 0.29 8.25 -1.17 -4.61 115.22 115.50 2dcr n HIS 104 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 2dcr n HIS 104 Cb 0.46 0.15 -0.14 0.00 1.12 0.00 0.00 29.99 31.58 2dcr n HIS 104 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2dcr s ARG 105 N -1.41 0.19 0.12 -0.41 6.06 -0.23 -4.95 118.95 118.32 2dcr s ARG 105 Ca 0.00 -0.11 0.04 0.00 -2.50 0.00 0.00 55.73 53.15 2dcr s ARG 105 Cb 0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 34.95 34.81 2dcr s ARG 105 CO 0.00 0.04 0.14 0.00 -2.50 0.00 0.00 175.30 172.98 2dcr s ALA 106 N -0.13 3.65 -0.31 6.12 0.00 -1.26 -0.75 121.76 129.06 2dcr s ALA 106 Ca -0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2dcr s ALA 106 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2dcr s ALA 106 CO -0.00 0.62 0.20 0.08 0.00 0.00 0.00 175.76 176.66 2dcr s VAL 107 N -1.60 5.15 -0.66 0.00 1.01 -1.09 -4.83 120.40 118.38 2dcr s VAL 107 Ca 0.31 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 2dcr s VAL 107 Cb -0.11 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.75 2dcr s VAL 107 CO 0.24 0.10 1.05 -2.16 0.00 0.00 0.00 175.10 174.32 2dcr s PRO 108 N 1.71 3.17 0.19 2.72 0.04 -1.26 -2.77 135.00 138.80 2dcr s PRO 108 Ca 0.06 -0.57 0.09 0.00 0.04 0.00 0.00 61.00 60.62 2dcr s PRO 108 Cb -0.17 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 30.21 2dcr s PRO 108 CO 0.10 -1.85 1.41 1.03 0.04 0.00 0.00 177.00 177.73 2dcr h SER 109 N 9.65 0.00 -3.76 6.66 0.87 -1.35 -3.49 113.55 122.12 2dcr h SER 109 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2dcr h SER 109 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2dcr h SER 109 CO 1.19 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 178.94 2dcr n GLY 110 N 0.94 1.49 1.15 5.77 0.00 -1.26 -4.93 105.19 108.35 2dcr n GLY 110 Ca -0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.16 2dcr n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dcr n PRO 111 N -1.94 2.25 -3.61 1.61 -0.04 -1.26 -4.22 135.00 127.79 2dcr n PRO 111 Ca 0.00 -1.20 -0.03 0.00 -0.04 0.00 0.00 63.50 62.22 2dcr n PRO 111 Cb 0.00 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 2dcr n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dcr s SER 112 N -0.19 -0.10 -0.13 3.54 0.15 -1.26 -4.37 113.70 111.33 2dcr s SER 112 Ca 0.21 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.80 2dcr s SER 112 Cb 0.17 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.65 2dcr s SER 112 CO 0.06 -0.18 0.28 -0.44 1.20 0.00 0.00 173.24 174.16 2dcr s SER 113 N -2.19 0.11 0.00 5.45 0.01 -1.26 -4.97 113.70 110.84 2dcr s SER 113 Ca 0.10 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2dcr s SER 113 Cb -0.01 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2dcr s SER 113 CO -0.04 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.00