#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcr s SER 2 N 0.00 3.80 0.27 1.61 1.04 -1.26 -5.05 113.70 114.12 2dcr s SER 2 Ca 0.00 -2.20 -0.21 0.00 0.48 0.00 0.00 55.95 54.02 2dcr s SER 2 Cb 0.00 -0.95 0.02 0.00 0.10 0.00 0.00 66.02 65.19 2dcr s SER 2 CO 0.00 -0.33 0.74 -0.94 0.98 0.00 0.00 173.24 173.68 2dcr s SER 3 N 0.91 -0.25 1.00 7.02 1.04 -1.26 -5.17 113.70 116.99 2dcr s SER 3 Ca 0.14 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.83 2dcr s SER 3 Cb -0.21 0.72 0.19 0.00 0.10 0.00 0.00 66.02 66.81 2dcr s SER 3 CO -0.10 -1.33 1.12 -0.83 0.98 0.00 0.00 173.24 173.08 2dcr s GLY 4 N -2.92 1.58 0.63 7.32 0.00 -1.26 -5.09 107.32 107.58 2dcr s GLY 4 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 2dcr s GLY 4 CO 0.07 0.10 0.89 -0.56 0.00 0.00 0.00 173.10 173.60 2dcr s SER 5 N -3.76 4.87 1.12 1.64 0.01 -1.26 -5.13 113.70 111.20 2dcr s SER 5 Ca 0.66 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.69 2dcr s SER 5 Cb -0.16 -0.61 0.25 0.00 0.21 0.00 0.00 66.02 65.71 2dcr s SER 5 CO 0.56 -1.47 1.13 -0.94 0.41 0.00 0.00 173.24 172.93 2dcr s SER 6 N -4.55 1.60 0.00 2.44 1.04 -1.26 -5.06 113.70 107.92 2dcr s SER 6 Ca 0.61 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2dcr s SER 6 Cb -0.09 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2dcr s SER 6 CO 0.41 -3.71 0.00 0.61 0.98 0.00 0.00 173.24 171.53 2dcr n GLY 7 N -1.33 -0.57 2.64 7.32 0.00 -1.26 -5.06 105.19 106.93 2dcr n GLY 7 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2dcr n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dcr n GLU 8 N 0.00 -1.06 0.12 1.61 4.71 -1.26 -4.88 120.64 119.88 2dcr n GLU 8 Ca 0.00 0.27 -0.13 0.00 -0.01 0.00 0.00 57.16 57.29 2dcr n GLU 8 Cb 0.00 -4.11 -0.06 0.00 -1.01 0.00 0.00 31.44 26.27 2dcr n GLU 8 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dcr h VAL 9 N 0.00 0.45 -0.00 2.62 2.07 -1.97 -2.44 116.25 116.97 2dcr h VAL 9 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dcr h VAL 9 Cb 0.53 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2dcr h VAL 9 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 2dcr n GLN 10 N -5.37 0.41 -0.89 1.57 1.13 -1.26 -3.89 117.38 109.08 2dcr n GLN 10 Ca -0.07 -0.14 -0.30 0.00 -1.94 0.00 0.00 57.00 54.54 2dcr n GLN 10 Cb 0.28 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.29 2dcr n GLN 10 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dcr s LYS 11 N -2.69 1.10 0.93 -1.09 1.02 -0.92 -5.02 119.74 113.08 2dcr s LYS 11 Ca 0.22 1.26 -0.11 0.00 0.02 0.00 0.00 55.97 57.37 2dcr s LYS 11 Cb 0.19 -1.76 0.15 0.00 -0.52 0.00 0.00 37.83 35.90 2dcr s LYS 11 CO 0.53 -2.48 1.11 -1.25 -0.92 0.00 0.00 175.35 172.34 2dcr s PRO 12 N -4.73 0.90 0.46 -1.68 0.04 -1.26 -4.91 135.00 123.82 2dcr s PRO 12 Ca 0.65 1.26 0.12 0.00 0.04 0.00 0.00 61.00 63.07 2dcr s PRO 12 Cb -0.21 -1.73 1.04 0.00 0.04 0.00 0.00 34.50 33.64 2dcr s PRO 12 CO 0.58 -2.62 2.09 1.25 0.04 0.00 0.00 177.00 178.34 2dcr h LEU 13 N -1.84 0.23 0.00 -3.56 6.46 -1.94 -2.64 115.31 112.02 2dcr h LEU 13 Ca -0.47 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2dcr h LEU 13 Cb 1.28 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2dcr h LEU 13 CO 0.46 0.18 0.00 0.00 -0.62 0.00 0.00 178.44 178.47 2dcr n HIS 14 N -4.49 0.00 -1.44 1.25 1.44 -1.26 -2.65 115.22 108.08 2dcr n HIS 14 Ca -0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 2dcr n HIS 14 Cb 0.09 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.99 0.99 -1.08 -1.40 1.02 -1.00 -4.69 120.64 113.49 2dcr n GLU 15 Ca 0.20 -2.34 -0.26 0.00 -0.02 0.00 0.00 57.16 54.74 2dcr n GLU 15 Cb 0.09 -1.22 0.21 0.00 -0.02 0.00 0.00 31.44 30.51 2dcr n GLU 15 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2dcr n GLN 16 N -0.97 -2.56 -0.06 3.49 1.13 -1.08 -4.85 117.38 112.48 2dcr n GLN 16 Ca 0.13 -1.61 -0.11 0.00 -1.94 0.00 0.00 57.00 53.47 2dcr n GLN 16 Cb 0.69 -1.41 -0.05 0.00 0.11 0.00 0.00 30.24 29.58 2dcr n GLN 16 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2dcr n LEU 17 N 0.00 2.21 0.00 1.08 -0.00 -1.26 -3.81 117.00 115.22 2dcr n LEU 17 Ca 0.14 0.02 0.15 0.00 -0.00 0.00 0.00 56.01 56.31 2dcr n LEU 17 Cb 0.52 -0.41 0.77 0.00 -0.00 0.00 0.00 43.42 44.30 2dcr n LEU 17 CO 0.36 0.54 1.02 -2.67 -0.00 0.00 0.00 177.39 176.65 2dcr n TRP 18 N -3.13 0.00 -2.72 1.47 4.27 -1.22 -0.33 117.44 115.77 2dcr n TRP 18 Ca -0.23 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 52.95 2dcr n TRP 18 Cb 0.71 -0.25 -0.02 0.00 -1.36 0.00 0.00 31.31 30.39 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 -2.51 2.84 0.04 -2.67 5.04 -1.26 -0.86 117.35 117.98 2dcr s TYR 19 Ca 0.30 -1.23 -0.19 0.00 -2.44 0.00 0.00 57.07 53.51 2dcr s TYR 19 Cb 0.20 -4.53 -0.14 0.00 0.35 0.00 0.00 41.96 37.83 2dcr s TYR 19 CO 0.44 -1.73 1.32 0.45 -1.34 0.00 0.00 175.55 174.70 2dcr h HIS 20 N 8.98 0.52 0.00 4.97 3.86 -1.52 -3.47 115.15 128.49 2dcr h HIS 20 Ca 0.23 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2dcr h HIS 20 Cb 0.99 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2dcr h HIS 20 CO 1.24 0.84 0.00 0.41 0.86 0.00 0.00 177.93 181.29 2dcr n GLY 21 N 0.31 0.22 3.57 2.45 0.00 -1.23 -4.63 105.19 105.87 2dcr n GLY 21 Ca -0.06 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.00 2.48 0.04 4.61 0.00 -1.26 -0.69 121.76 124.93 2dcr s ALA 22 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2dcr s ALA 22 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 23.12 18.91 2dcr s ALA 22 CO 0.00 -3.38 -0.13 -1.50 0.00 0.00 0.00 175.76 170.76 2dcr s ILE 23 N 7.90 1.00 0.94 0.00 2.07 -1.26 -4.92 121.20 126.93 2dcr s ILE 23 Ca 0.67 -0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 58.82 2dcr s ILE 23 Cb -0.15 -0.92 0.15 0.00 0.13 0.00 0.00 42.46 41.68 2dcr s ILE 23 CO 0.25 -0.04 1.11 -2.16 -1.91 0.00 0.00 174.94 172.19 2dcr s PRO 24 N -1.15 0.90 0.39 3.50 0.04 -1.26 -4.74 135.00 132.68 2dcr s PRO 24 Ca 0.00 0.47 0.17 0.00 0.04 0.00 0.00 61.00 61.68 2dcr s PRO 24 Cb -0.08 -1.80 0.82 0.00 0.04 0.00 0.00 34.50 33.49 2dcr s PRO 24 CO 0.01 -2.40 1.83 0.07 0.04 0.00 0.00 177.00 176.54 2dcr h ARG 25 N -1.65 0.00 -0.17 4.56 0.11 -2.02 -3.19 114.38 112.02 2dcr h ARG 25 Ca -0.52 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.37 2dcr h ARG 25 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2dcr h ARG 25 CO 0.59 0.34 -0.67 0.00 0.10 0.00 0.00 179.97 180.34 2dcr h ALA 26 N 1.66 0.50 -0.33 0.08 0.00 -2.02 -3.21 119.26 115.94 2dcr h ALA 26 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2dcr h ALA 26 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dcr h ALA 26 CO 0.04 0.70 0.14 0.93 0.00 0.00 0.00 179.25 181.06 2dcr h GLU 27 N 0.48 0.45 -0.56 0.00 4.39 -1.94 -2.93 114.58 114.47 2dcr h GLU 27 Ca -0.02 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.68 2dcr h GLU 27 Cb 1.26 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 2dcr h GLU 27 CO 0.13 0.37 -0.42 0.28 -1.16 0.00 0.00 179.01 178.22 2dcr h VAL 28 N 0.45 0.00 0.00 3.13 2.07 -1.65 -1.06 116.25 119.20 2dcr h VAL 28 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2dcr h VAL 28 Cb 0.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2dcr h VAL 28 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 2dcr h ALA 29 N -0.10 1.00 -0.05 1.67 0.00 -1.70 0.47 119.26 120.55 2dcr h ALA 29 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2dcr h ALA 29 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2dcr h ALA 29 CO -0.58 0.00 -0.65 1.49 0.00 0.00 0.00 179.25 179.51 2dcr h GLU 30 N 0.00 0.20 0.11 0.00 4.57 -1.29 -3.36 114.58 114.80 2dcr h GLU 30 Ca 0.00 -0.15 -0.28 0.00 -1.18 0.00 0.00 59.36 57.75 2dcr h GLU 30 Cb 0.34 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2dcr h GLU 30 CO 0.00 0.78 -1.47 -0.07 -1.18 0.00 0.00 179.01 177.07 2dcr h LEU 31 N 0.14 0.36 -9.62 1.64 3.38 -0.52 -3.46 115.31 107.23 2dcr h LEU 31 Ca -0.01 -0.84 -0.52 0.00 0.09 0.00 0.00 57.88 56.60 2dcr h LEU 31 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2dcr h LEU 31 CO 0.10 1.64 0.31 -0.76 0.09 0.00 0.00 178.44 179.81 2dcr s LEU 32 N -7.51 4.53 0.00 1.67 1.43 -0.39 -4.92 118.68 113.49 2dcr s LEU 32 Ca -0.21 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 2dcr s LEU 32 Cb 0.05 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2dcr s LEU 32 CO 0.75 0.02 0.00 0.52 0.23 0.00 0.00 176.35 177.88 2dcr n VAL 33 N 2.39 0.00 -4.23 -1.59 0.31 -1.26 -4.77 118.33 109.18 2dcr n VAL 33 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2dcr n VAL 33 Cb 0.49 -0.26 -0.08 0.00 -0.91 0.00 0.00 33.84 33.08 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 -1.25 3.23 -0.37 3.52 3.76 -1.26 -5.03 115.29 117.89 2dcr s HIS 34 Ca 0.00 0.22 -0.27 0.00 -0.15 0.00 0.00 55.06 54.86 2dcr s HIS 34 Cb 0.00 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2dcr s HIS 34 CO 0.00 0.52 2.20 -1.54 -0.85 0.00 0.00 174.74 175.07 2dcr s SER 35 N -1.21 5.13 0.00 1.40 1.04 -1.26 -1.09 113.70 117.71 2dcr s SER 35 Ca 0.17 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2dcr s SER 35 Cb -0.12 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2dcr s SER 35 CO 0.07 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.60 2dcr n GLY 36 N 5.80 1.81 3.71 7.32 0.00 -0.25 -4.89 105.19 118.69 2dcr n GLY 36 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2dcr n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dcr s ASP 37 N -1.40 6.44 0.15 1.61 1.01 -0.25 -0.75 116.67 123.49 2dcr s ASP 37 Ca 0.00 2.77 0.05 0.00 0.71 0.00 0.00 52.55 56.08 2dcr s ASP 37 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2dcr s ASP 37 CO 0.00 -0.95 -0.11 0.72 0.21 0.00 0.00 175.17 175.04 2dcr s PHE 38 N 1.64 1.32 0.11 4.23 -0.12 -0.07 -1.34 117.98 123.75 2dcr s PHE 38 Ca 0.75 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.87 2dcr s PHE 38 Cb -0.47 -0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 2dcr s PHE 38 CO 0.33 0.12 0.09 -0.48 -0.05 0.00 0.00 175.22 175.23 2dcr s LEU 39 N -3.18 1.76 -0.11 -1.99 0.05 -0.21 -2.18 118.68 112.82 2dcr s LEU 39 Ca 0.17 -1.03 0.01 0.00 0.05 0.00 0.00 54.13 53.33 2dcr s LEU 39 Cb 0.02 0.53 -0.02 0.00 -2.05 0.00 0.00 46.19 44.67 2dcr s LEU 39 CO 0.01 -0.73 -0.14 -0.69 -0.55 0.00 0.00 176.35 174.25 2dcr s VAL 40 N -3.98 2.97 0.23 1.48 1.01 -0.04 -1.06 120.40 121.01 2dcr s VAL 40 Ca 0.16 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.49 2dcr s VAL 40 Cb 0.07 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2dcr s VAL 40 CO -0.03 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 2dcr s ARG 41 N 0.12 1.36 0.10 2.72 1.70 -0.10 -1.50 118.95 123.35 2dcr s ARG 41 Ca -0.07 -1.66 0.02 0.00 -0.47 0.00 0.00 55.73 53.55 2dcr s ARG 41 Cb -0.15 -0.91 -0.04 0.00 -0.57 0.00 0.00 34.95 33.28 2dcr s ARG 41 CO 0.05 0.04 0.20 -2.00 -1.08 0.00 0.00 175.30 172.51 2dcr s GLU 42 N -3.75 3.29 0.00 3.89 2.12 0.13 -0.51 118.70 123.87 2dcr s GLU 42 Ca 0.26 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.01 2dcr s GLU 42 Cb 0.03 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.50 2dcr s GLU 42 CO 0.08 0.56 0.00 0.45 -0.54 0.00 0.00 175.26 175.81 2dcr n SER 43 N -0.02 -0.70 -2.44 -1.70 2.88 -0.55 -4.05 113.62 107.04 2dcr n SER 43 Ca -0.07 -0.37 -0.22 0.00 -1.33 0.00 0.00 58.87 56.88 2dcr n SER 43 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.08 2.56 -0.49 -1.46 3.00 -1.26 -4.38 117.38 114.26 2dcr n GLN 44 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 2dcr n GLN 44 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.04 2dcr n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dcr n GLY 45 N 2.11 0.75 3.86 1.08 0.00 -1.26 -5.07 105.19 106.66 2dcr n GLY 45 Ca 0.51 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.53 3.83 0.00 1.61 -0.14 -1.26 -4.99 119.74 118.27 2dcr s LYS 46 Ca 0.00 0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.84 2dcr s LYS 46 Cb 0.00 -3.01 -0.21 0.00 -1.68 0.00 0.00 37.83 32.93 2dcr s LYS 46 CO 0.00 0.56 3.00 1.04 -0.76 0.00 0.00 175.35 179.19 2dcr n GLN 47 N 1.00 1.60 -3.68 1.68 1.13 -1.26 -4.11 117.38 113.74 2dcr n GLN 47 Ca -0.08 -0.78 -0.20 0.00 -1.94 0.00 0.00 57.00 53.99 2dcr n GLN 47 Cb 0.52 -1.87 -0.18 0.00 0.11 0.00 0.00 30.24 28.82 2dcr n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2dcr s GLU 48 N 1.31 0.00 0.50 -1.09 2.12 -1.26 -5.07 118.70 115.21 2dcr s GLU 48 Ca 0.52 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 2dcr s GLU 48 Cb 0.25 -0.58 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 2dcr s GLU 48 CO 0.00 -0.33 0.79 0.71 -0.54 0.00 0.00 175.26 175.89 2dcr s TYR 49 N 2.15 3.38 -0.01 5.30 2.02 -1.26 -1.48 117.35 127.45 2dcr s TYR 49 Ca 0.05 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 2dcr s TYR 49 Cb -0.12 -2.43 0.01 0.00 -0.40 0.00 0.00 41.96 39.02 2dcr s TYR 49 CO -0.03 -0.46 -0.02 0.08 -1.57 0.00 0.00 175.55 173.55 2dcr s VAL 50 N -2.76 0.19 -0.16 0.71 1.01 0.34 -0.62 120.40 119.11 2dcr s VAL 50 Ca 0.49 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2dcr s VAL 50 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2dcr s VAL 50 CO 0.43 0.08 0.54 -0.22 0.00 0.00 0.00 175.10 175.93 2dcr s LEU 51 N 0.27 4.21 -0.19 3.92 2.96 0.10 -0.93 118.68 129.03 2dcr s LEU 51 Ca -0.02 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2dcr s LEU 51 Cb -0.05 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.92 2dcr s LEU 51 CO -0.01 -0.12 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.45 2dcr s SER 52 N 0.93 3.03 -0.07 3.68 0.01 -0.22 -1.07 113.70 119.98 2dcr s SER 52 Ca 0.27 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2dcr s SER 52 Cb -0.16 -0.81 0.02 0.00 0.21 0.00 0.00 66.02 65.28 2dcr s SER 52 CO 0.11 -0.25 0.18 0.54 0.41 0.00 0.00 173.24 174.23 2dcr s VAL 53 N 1.69 -0.01 -0.29 3.43 0.11 -0.90 -1.05 120.40 123.39 2dcr s VAL 53 Ca -0.01 0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 2dcr s VAL 53 Cb -0.17 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2dcr s VAL 53 CO -0.07 0.02 0.37 -0.22 -3.33 0.00 0.00 175.10 171.86 2dcr s LEU 54 N 0.37 4.14 -0.03 2.54 2.96 -0.45 -0.16 118.68 128.04 2dcr s LEU 54 Ca -0.02 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 2dcr s LEU 54 Cb -0.04 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.29 2dcr s LEU 54 CO -0.02 -0.23 0.01 0.86 -1.32 0.00 0.00 176.35 175.66 2dcr s TRP 55 N 2.06 0.32 -1.52 5.38 -0.00 -0.71 -1.09 118.94 123.39 2dcr s TRP 55 Ca 0.14 0.01 -0.12 0.00 -0.00 0.00 0.00 56.10 56.13 2dcr s TRP 55 Cb -0.16 -0.46 0.08 0.00 -0.00 0.00 0.00 33.47 32.93 2dcr s TRP 55 CO 0.11 -0.16 0.92 -0.25 -0.00 0.00 0.00 176.95 177.57 2dcr n ASP 56 N 4.36 -4.12 -1.55 5.86 8.00 -1.26 -1.73 116.55 126.12 2dcr n ASP 56 Ca -0.22 -0.81 -0.14 0.00 0.71 0.00 0.00 54.79 54.34 2dcr n ASP 56 Cb 0.50 -3.80 -0.01 0.00 -0.02 0.00 0.00 41.12 37.80 2dcr n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcr n GLY 57 N -1.67 -0.19 2.73 0.44 0.00 -1.26 -5.00 105.19 100.24 2dcr n GLY 57 Ca -0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.90 -0.03 -0.84 0.99 1.98 -0.70 -5.09 118.68 111.08 2dcr s LEU 58 Ca 0.00 -0.27 -0.25 0.00 -2.89 0.00 0.00 54.13 50.72 2dcr s LEU 58 Cb -0.00 0.28 -0.04 0.00 0.66 0.00 0.00 46.19 47.09 2dcr s LEU 58 CO 0.00 -0.33 1.91 -2.16 -1.89 0.00 0.00 176.35 173.89 2dcr s PRO 59 N 2.30 2.60 0.83 0.98 0.04 -1.26 -1.73 135.00 138.75 2dcr s PRO 59 Ca 0.06 -0.12 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 2dcr s PRO 59 Cb -0.16 -4.92 0.09 0.00 0.04 0.00 0.00 34.50 29.56 2dcr s PRO 59 CO -0.11 -3.20 1.16 1.03 0.04 0.00 0.00 177.00 175.91 2dcr s ARG 60 N 6.96 1.60 -0.14 4.56 1.81 0.77 -4.79 118.95 129.72 2dcr s ARG 60 Ca 0.69 1.58 -0.02 0.00 -1.72 0.00 0.00 55.73 56.25 2dcr s ARG 60 Cb -0.08 -1.79 0.05 0.00 -0.45 0.00 0.00 34.95 32.68 2dcr s ARG 60 CO 0.04 -2.20 0.03 -3.38 -0.68 0.00 0.00 175.30 169.10 2dcr s HIS 61 N -2.43 0.78 -0.10 -0.53 -3.43 -1.26 -2.11 115.29 106.21 2dcr s HIS 61 Ca 0.69 -0.49 0.04 0.00 -0.80 0.00 0.00 55.06 54.50 2dcr s HIS 61 Cb -0.24 -0.89 0.00 0.00 -1.43 0.00 0.00 32.58 30.02 2dcr s HIS 61 CO 0.53 -0.47 -0.22 -0.06 -2.00 0.00 0.00 174.74 172.52 2dcr s PHE 62 N 1.94 2.41 0.29 0.38 0.08 -0.23 -5.00 117.98 117.84 2dcr s PHE 62 Ca 0.02 -1.00 -0.30 0.00 0.12 0.00 0.00 56.93 55.77 2dcr s PHE 62 Cb -0.15 -1.63 -0.12 0.00 -0.57 0.00 0.00 43.02 40.56 2dcr s PHE 62 CO -0.07 -0.41 1.56 -0.89 -0.10 0.00 0.00 175.22 175.31 2dcr n ILE 63 N 3.60 1.04 -1.76 0.64 2.08 -1.26 0.02 119.36 123.72 2dcr n ILE 63 Ca -0.20 -0.26 -0.41 0.00 0.56 0.00 0.00 62.75 62.44 2dcr n ILE 63 Cb 0.53 -1.89 -0.01 0.00 -0.75 0.00 0.00 39.64 37.52 2dcr n ILE 63 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2dcr s ILE 64 N -0.04 2.01 0.99 1.39 -1.09 0.21 -4.71 121.20 119.95 2dcr s ILE 64 Ca 0.64 0.01 -0.16 0.00 -2.23 0.00 0.00 60.65 58.91 2dcr s ILE 64 Cb -0.52 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2dcr s ILE 64 CO 0.49 0.00 -0.17 0.00 -1.23 0.00 0.00 174.94 174.04 2dcr n GLN 65 N 1.98 -0.30 0.00 2.79 3.00 -1.26 -4.76 117.38 118.84 2dcr n GLN 65 Ca 0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2dcr n GLN 65 Cb 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.12 2dcr n GLN 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dcr n SER 66 N 0.59 0.00 0.00 1.08 2.88 -1.26 -4.75 113.62 112.16 2dcr n SER 66 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dcr n SER 66 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2dcr n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dcr n LEU 67 N 0.00 0.30 0.00 2.46 -0.00 -1.25 -5.00 117.00 113.51 2dcr n LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2dcr n LEU 67 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2dcr n LEU 67 CO 0.00 -0.05 0.00 -0.67 -0.00 0.00 0.00 177.39 176.67 2dcr n ASP 68 N -2.80 0.00 -0.97 1.45 -0.08 -1.26 -4.98 116.55 107.91 2dcr n ASP 68 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 2dcr n ASP 68 Cb 0.38 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.84 2dcr n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2dcr n ASN 69 N -0.69 0.25 -2.48 1.67 4.05 -1.26 -5.11 115.26 111.69 2dcr n ASN 69 Ca 0.00 -1.87 -0.11 0.00 0.45 0.00 0.00 54.58 53.05 2dcr n ASN 69 Cb 0.00 -0.14 -0.03 0.00 1.23 0.00 0.00 39.78 40.84 2dcr n ASN 69 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2dcr n LEU 70 N 0.20 0.00 -3.72 1.20 4.77 -1.26 -4.66 117.00 113.53 2dcr n LEU 70 Ca -0.02 -1.30 -0.15 0.00 -0.03 0.00 0.00 56.01 54.51 2dcr n LEU 70 Cb 0.85 0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 42.22 2dcr n LEU 70 CO -0.04 -0.20 -0.25 -0.31 -1.33 0.00 0.00 177.39 175.26 2dcr s TYR 71 N -2.18 -0.14 -0.03 -1.77 2.02 -0.78 -3.84 117.35 110.64 2dcr s TYR 71 Ca 0.09 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 2dcr s TYR 71 Cb 0.00 -0.18 0.03 0.00 -0.40 0.00 0.00 41.96 41.41 2dcr s TYR 71 CO 0.06 -0.19 0.01 -0.98 -1.57 0.00 0.00 175.55 172.87 2dcr s ARG 72 N 1.57 0.29 0.00 -0.62 1.04 -1.26 -1.88 118.95 118.09 2dcr s ARG 72 Ca -0.05 0.10 0.00 0.00 -1.04 0.00 0.00 55.73 54.75 2dcr s ARG 72 Cb -0.12 -0.52 0.00 0.00 -2.04 0.00 0.00 34.95 32.27 2dcr s ARG 72 CO -0.05 -0.16 0.00 -0.11 -0.04 0.00 0.00 175.30 174.93 2dcr n LEU 73 N 4.32 2.32 0.01 -1.89 7.94 -1.26 -4.77 117.00 123.67 2dcr n LEU 73 Ca -0.23 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2dcr n LEU 73 Cb 0.50 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.45 2dcr n LEU 73 CO 0.20 0.38 -0.02 1.21 -1.11 0.00 0.00 177.39 178.06 2dcr n GLU 74 N -2.32 0.01 0.00 1.96 4.07 -1.26 -4.74 120.64 118.36 2dcr n GLU 74 Ca 0.00 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2dcr n GLU 74 Cb 0.40 -0.19 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 2dcr n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dcr n GLY 75 N 3.28 0.55 3.65 8.31 0.00 -1.26 -5.10 105.19 114.63 2dcr n GLY 75 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.62 -0.51 0.33 1.61 -1.05 -1.26 -4.91 118.70 116.52 2dcr s GLU 76 Ca 0.00 0.07 0.06 0.00 -0.15 0.00 0.00 54.97 54.95 2dcr s GLU 76 Cb 0.00 -1.67 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 2dcr s GLU 76 CO 0.00 -3.27 0.47 0.20 0.95 0.00 0.00 175.26 173.61 2dcr s GLY 77 N -3.87 1.55 0.14 -3.83 0.00 -1.26 -4.38 107.32 95.65 2dcr s GLY 77 Ca 0.69 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 44.04 2dcr s GLY 77 CO 0.56 -1.33 -0.10 -1.36 0.00 0.00 0.00 173.10 170.87 2dcr s PHE 78 N -2.17 1.21 -0.48 1.90 0.40 -0.79 -4.89 117.98 113.17 2dcr s PHE 78 Ca 0.44 -0.75 0.24 0.00 -0.60 0.00 0.00 56.93 56.25 2dcr s PHE 78 Cb -0.09 -0.63 0.98 0.00 0.51 0.00 0.00 43.02 43.79 2dcr s PHE 78 CO 0.31 0.05 1.72 -0.35 0.70 0.00 0.00 175.22 177.66 2dcr n PRO 79 N -0.07 0.21 -4.06 0.24 -0.04 -1.26 -1.86 135.00 128.15 2dcr n PRO 79 Ca -0.11 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2dcr n PRO 79 Cb 0.60 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 -4.30 0.83 0.06 3.54 0.01 -1.26 -4.81 113.70 107.76 2dcr s SER 80 Ca 0.04 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.50 2dcr s SER 80 Cb 0.09 0.05 -0.15 0.00 0.21 0.00 0.00 66.02 66.22 2dcr s SER 80 CO 0.41 -0.23 1.57 0.40 0.41 0.00 0.00 173.24 175.80 2dcr h ILE 81 N 4.41 1.16 -0.03 1.44 2.04 -1.95 -3.00 117.51 121.58 2dcr h ILE 81 Ca -0.35 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 2dcr h ILE 81 Cb 1.20 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2dcr h ILE 81 CO 0.42 0.13 -0.19 1.55 0.00 0.00 0.00 178.15 180.06 2dcr h PRO 82 N -0.09 0.04 -0.48 2.37 0.13 -1.92 -0.89 132.00 131.16 2dcr h PRO 82 Ca 0.02 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 2dcr h PRO 82 Cb 0.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 2dcr h PRO 82 CO -0.00 0.23 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.79 2dcr h LEU 83 N 0.04 0.93 -0.37 1.56 4.07 -1.67 -2.95 115.31 116.92 2dcr h LEU 83 Ca 0.01 -0.31 -0.12 0.00 0.08 0.00 0.00 57.88 57.54 2dcr h LEU 83 Cb 0.36 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2dcr h LEU 83 CO 0.03 1.07 -0.23 0.25 -1.08 0.00 0.00 178.44 178.47 2dcr h LEU 84 N 0.82 0.85 -0.78 1.67 7.12 -1.06 -3.13 115.31 120.79 2dcr h LEU 84 Ca 0.12 -0.43 0.12 0.00 0.13 0.00 0.00 57.88 57.83 2dcr h LEU 84 Cb 0.68 -0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 40.49 2dcr h LEU 84 CO 0.05 1.09 0.38 0.40 -0.13 0.00 0.00 178.44 180.23 2dcr h ILE 85 N 0.61 0.77 -0.46 4.05 1.08 -1.09 -2.09 117.51 120.38 2dcr h ILE 85 Ca 0.08 -0.20 -0.13 0.00 -0.39 0.00 0.00 64.86 64.21 2dcr h ILE 85 Cb 0.80 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2dcr h ILE 85 CO 0.06 0.11 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.64 2dcr h ASP 86 N 0.59 0.99 0.26 1.72 3.58 -1.46 0.13 116.42 122.22 2dcr h ASP 86 Ca 0.41 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2dcr h ASP 86 Cb 0.53 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2dcr h ASP 86 CO -0.33 1.17 0.00 1.41 -2.88 0.00 0.00 179.24 178.61 2dcr n HIS 87 N -4.14 0.00 -0.08 0.28 8.25 -0.98 -1.36 115.22 117.20 2dcr n HIS 87 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 2dcr n HIS 87 Cb 0.46 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.16 2.56 -0.09 2.41 4.77 -0.82 -4.38 117.00 120.29 2dcr n LEU 88 Ca 0.15 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2dcr n LEU 88 Cb 0.15 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 2dcr n LEU 88 CO 0.17 0.77 0.49 0.25 -1.33 0.00 0.00 177.39 177.74 2dcr h LEU 89 N -0.25 0.88 0.00 2.23 6.46 -0.20 0.27 115.31 124.69 2dcr h LEU 89 Ca -0.51 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 56.74 2dcr h LEU 89 Cb 1.83 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 2dcr h LEU 89 CO -0.09 1.22 -0.06 0.28 -0.62 0.00 0.00 178.44 179.17 2dcr h SER 90 N 0.57 0.00 0.00 1.25 0.02 -1.47 -3.28 113.55 110.64 2dcr h SER 90 Ca 0.03 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2dcr h SER 90 Cb 1.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2dcr h SER 90 CO 0.10 0.01 -2.08 0.35 -1.14 0.00 0.00 176.83 174.07 2dcr n THR 91 N -2.51 0.36 -2.37 -2.27 -2.24 -1.10 -4.99 114.28 99.16 2dcr n THR 91 Ca 0.05 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2dcr n THR 91 Cb 0.46 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.37 -1.55 -2.06 -0.78 1.13 0.92 -5.00 117.38 107.67 2dcr n GLN 92 Ca -0.11 0.59 -0.39 0.00 -1.94 0.00 0.00 57.00 55.15 2dcr n GLN 92 Cb 0.71 -4.77 -0.00 0.00 0.11 0.00 0.00 30.24 26.29 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 -4.80 3.90 0.08 -1.09 -0.21 -1.03 -4.83 119.66 111.68 2dcr s GLN 93 Ca 0.05 2.13 -0.30 0.00 0.02 0.00 0.00 55.36 57.25 2dcr s GLN 93 Cb -0.02 -2.69 -0.06 0.00 1.00 0.00 0.00 33.01 31.24 2dcr s GLN 93 CO 0.06 -0.54 1.15 -1.25 -2.12 0.00 0.00 175.29 172.59 2dcr s PRO 94 N -2.32 4.49 0.36 2.91 0.04 -1.26 -4.38 135.00 134.83 2dcr s PRO 94 Ca 0.58 1.71 0.12 0.00 0.04 0.00 0.00 61.00 63.45 2dcr s PRO 94 Cb -0.37 -3.35 0.67 0.00 0.04 0.00 0.00 34.50 31.50 2dcr s PRO 94 CO 0.48 -0.15 1.81 -0.07 0.04 0.00 0.00 177.00 179.10 2dcr h LEU 95 N 6.41 0.04 -7.32 -3.56 3.38 -1.05 -3.42 115.31 109.77 2dcr h LEU 95 Ca -0.42 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 2dcr h LEU 95 Cb 1.21 -0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.77 2dcr h LEU 95 CO 0.78 0.41 -0.09 0.28 0.09 0.00 0.00 178.44 179.91 2dcr s THR 96 N -4.18 0.04 -2.00 0.22 -1.32 -1.26 -4.76 115.64 102.38 2dcr s THR 96 Ca -0.03 -0.33 0.06 0.00 -1.21 0.00 0.00 61.69 60.18 2dcr s THR 96 Cb 0.14 -0.82 0.17 0.00 -1.51 0.00 0.00 72.50 70.49 2dcr s THR 96 CO 0.73 -0.18 0.83 0.29 -2.21 0.00 0.00 174.62 174.08 2dcr n LYS 97 N 0.94 0.19 0.00 7.08 4.76 -1.26 -2.20 118.16 127.67 2dcr n LYS 97 Ca -0.20 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.27 2dcr n LYS 97 Cb 0.57 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.26 2dcr n LYS 97 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dcr n LYS 98 N -1.00 3.16 0.00 1.97 4.76 -1.26 -4.76 118.16 121.03 2dcr n LYS 98 Ca 0.05 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2dcr n LYS 98 Cb 0.02 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 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 -0.55 0.00 -2.05 4.39 7.64 -1.16 -5.05 113.62 116.84 2dcr n SER 99 Ca 0.02 -0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.58 2dcr n SER 99 Cb 0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.05 3.70 0.23 0.00 -0.94 -4.94 105.19 103.29 2dcr n GLY 100 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.74 1.85 -4.18 1.61 0.31 -1.26 -4.78 118.33 109.14 2dcr n VAL 101 Ca -0.12 -0.46 -0.17 0.00 -0.01 0.00 0.00 64.34 63.57 2dcr n VAL 101 Cb 0.52 -1.58 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.94 1.09 0.19 2.52 -7.23 -1.26 -0.44 120.40 114.33 2dcr s VAL 102 Ca 0.57 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 2dcr s VAL 102 Cb -0.57 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 2dcr s VAL 102 CO 0.60 -0.30 1.05 -0.76 -0.31 0.00 0.00 175.10 175.38 2dcr s LEU 103 N -1.92 4.53 0.20 1.32 1.43 -1.26 -4.72 118.68 118.25 2dcr s LEU 103 Ca 0.00 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2dcr s LEU 103 Cb -0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2dcr s LEU 103 CO 0.02 -0.12 0.00 1.41 0.23 0.00 0.00 176.35 177.89 2dcr n HIS 104 N 2.11 -1.75 -4.69 0.29 8.25 -1.16 -4.63 115.22 113.65 2dcr n HIS 104 Ca 0.01 0.31 -0.25 0.00 -0.26 0.00 0.00 57.72 57.53 2dcr n HIS 104 Cb 0.47 0.52 -0.14 0.00 1.12 0.00 0.00 29.99 31.95 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 -2.00 1.39 -0.22 -0.41 6.06 0.07 -4.98 118.95 118.87 2dcr s ARG 105 Ca 0.00 -0.86 -0.01 0.00 -2.50 0.00 0.00 55.73 52.36 2dcr s ARG 105 Cb 0.00 -1.46 0.02 0.00 0.06 0.00 0.00 34.95 33.57 2dcr s ARG 105 CO 0.00 0.38 -0.12 0.00 -2.50 0.00 0.00 175.30 173.06 2dcr s ALA 106 N -0.72 2.57 -0.09 6.12 0.00 -1.26 -0.89 121.76 127.49 2dcr s ALA 106 Ca 0.07 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 2dcr s ALA 106 Cb -0.08 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2dcr s ALA 106 CO 0.01 -0.57 1.67 0.08 0.00 0.00 0.00 175.76 176.95 2dcr s VAL 107 N 1.33 3.57 0.43 0.00 1.01 -0.93 -4.90 120.40 120.91 2dcr s VAL 107 Ca 0.03 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 2dcr s VAL 107 Cb -0.15 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2dcr s VAL 107 CO -0.08 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 173.84 2dcr s PRO 108 N 4.28 3.98 0.00 2.72 0.04 -1.26 -3.45 135.00 141.31 2dcr s PRO 108 Ca 0.74 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2dcr s PRO 108 Cb -0.32 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2dcr s PRO 108 CO 0.30 -0.32 0.12 0.45 0.04 0.00 0.00 177.00 177.59 2dcr n SER 109 N -0.31 0.24 0.00 6.66 2.88 0.55 -4.95 113.62 118.69 2dcr n SER 109 Ca 0.06 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 2dcr n SER 109 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2dcr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dcr n GLY 110 N 0.00 -1.63 0.01 0.46 0.00 -1.25 -4.71 105.19 98.07 2dcr n GLY 110 Ca 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.82 0.07 -2.80 1.61 -0.04 -1.25 -4.48 135.00 126.30 2dcr n PRO 111 Ca 0.00 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2dcr n PRO 111 Cb 0.00 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 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 -3.29 6.69 -0.69 3.54 0.15 -1.26 -4.55 113.70 114.29 2dcr s SER 112 Ca 0.10 -2.09 -0.26 0.00 0.70 0.00 0.00 55.95 54.39 2dcr s SER 112 Cb 0.17 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2dcr s SER 112 CO 0.70 -1.14 1.63 -0.94 1.20 0.00 0.00 173.24 174.70 2dcr s SER 113 N 3.92 5.64 0.00 5.45 1.04 -1.26 -5.10 113.70 123.39 2dcr s SER 113 Ca 0.40 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2dcr s SER 113 Cb -0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2dcr s SER 113 CO -0.06 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.60