#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcr h SER 2 N 0.00 0.45 -4.03 1.61 0.02 -2.13 -3.43 113.55 106.04 2dcr h SER 2 Ca 0.00 -0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.49 2dcr h SER 2 Cb 0.00 -0.10 0.15 0.00 0.14 0.00 0.00 62.40 62.59 2dcr h SER 2 CO 0.00 0.31 0.24 -0.44 -1.14 0.00 0.00 176.83 175.80 2dcr s SER 3 N -6.48 2.95 0.00 3.07 0.01 -1.26 -5.08 113.70 106.92 2dcr s SER 3 Ca -0.08 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2dcr s SER 3 Cb 0.18 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2dcr s SER 3 CO 0.74 -2.91 0.00 0.61 0.41 0.00 0.00 173.24 172.09 2dcr n GLY 4 N -1.64 0.67 3.03 3.44 0.00 -1.26 -5.14 105.19 104.29 2dcr n GLY 4 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2dcr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcr s SER 5 N 0.76 0.55 0.66 1.61 0.01 -1.26 -5.16 113.70 110.87 2dcr s SER 5 Ca 0.00 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 56.57 2dcr s SER 5 Cb 0.00 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 2dcr s SER 5 CO 0.00 -0.27 1.07 -0.44 0.41 0.00 0.00 173.24 174.01 2dcr s SER 6 N -1.61 5.34 0.00 2.44 0.01 -1.26 -4.87 113.70 113.75 2dcr s SER 6 Ca -0.12 1.81 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2dcr s SER 6 Cb -0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2dcr s SER 6 CO -0.01 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.78 2dcr n GLY 7 N -1.15 -1.49 2.40 3.44 0.00 -1.26 -5.02 105.19 102.10 2dcr n GLY 7 Ca 0.09 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.57 -0.14 1.61 4.71 -1.26 -4.78 120.64 119.21 2dcr n GLU 8 Ca 0.00 0.75 -0.09 0.00 -0.01 0.00 0.00 57.16 57.81 2dcr n GLU 8 Cb 0.00 -4.95 -0.01 0.00 -1.01 0.00 0.00 31.44 25.47 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 1.21 -0.00 2.62 2.07 -1.96 -2.59 116.25 117.60 2dcr h VAL 9 Ca -0.22 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2dcr h VAL 9 Cb 0.94 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2dcr h VAL 9 CO 0.32 0.25 -0.62 0.00 0.02 0.00 0.00 177.57 177.54 2dcr n GLN 10 N -4.59 0.26 -0.97 1.57 1.13 -1.26 -3.35 117.38 110.16 2dcr n GLN 10 Ca -0.00 -0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 54.56 2dcr n GLN 10 Cb 0.18 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.87 1.57 0.83 -1.09 1.02 -0.98 -5.01 119.74 113.21 2dcr s LYS 11 Ca 0.13 1.43 -0.10 0.00 0.02 0.00 0.00 55.97 57.45 2dcr s LYS 11 Cb 0.17 -1.80 0.09 0.00 -0.52 0.00 0.00 37.83 35.78 2dcr s LYS 11 CO 0.71 -2.20 1.11 -1.25 -0.92 0.00 0.00 175.35 172.80 2dcr s PRO 12 N -4.67 1.75 0.39 -1.68 0.04 -1.26 -4.91 135.00 124.67 2dcr s PRO 12 Ca 0.65 1.32 0.06 0.00 0.04 0.00 0.00 61.00 63.07 2dcr s PRO 12 Cb -0.21 -1.83 0.79 0.00 0.04 0.00 0.00 34.50 33.29 2dcr s PRO 12 CO 0.56 -2.05 2.03 1.25 0.04 0.00 0.00 177.00 178.83 2dcr h LEU 13 N -1.43 0.56 0.00 -3.56 6.46 -1.95 -2.94 115.31 112.45 2dcr h LEU 13 Ca -0.43 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2dcr h LEU 13 Cb 1.25 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2dcr h LEU 13 CO 0.47 0.40 0.00 0.00 -0.62 0.00 0.00 178.44 178.69 2dcr n HIS 14 N -4.46 0.00 0.43 1.25 1.44 -1.26 -1.95 115.22 110.67 2dcr n HIS 14 Ca 0.05 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.81 2dcr n HIS 14 Cb 0.09 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.15 2dcr n HIS 14 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2dcr n GLU 15 N -0.85 3.84 -0.90 -1.40 2.13 -1.11 -4.74 120.64 117.61 2dcr n GLU 15 Ca 0.14 -0.04 -0.30 0.00 0.66 0.00 0.00 57.16 57.62 2dcr n GLU 15 Cb 0.07 -0.94 0.18 0.00 0.27 0.00 0.00 31.44 31.01 2dcr n GLU 15 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2dcr s GLN 16 N -1.83 0.62 -0.20 5.31 -1.52 -0.82 -4.41 119.66 116.80 2dcr s GLN 16 Ca 0.04 1.01 -0.02 0.00 -1.95 0.00 0.00 55.36 54.44 2dcr s GLN 16 Cb 0.07 -1.72 -0.12 0.00 -0.22 0.00 0.00 33.01 31.02 2dcr s GLN 16 CO 0.37 -2.74 -0.20 1.47 -0.25 0.00 0.00 175.29 173.94 2dcr n LEU 17 N -4.25 2.55 0.13 2.90 -0.00 -1.26 -4.03 117.00 113.04 2dcr n LEU 17 Ca 0.07 -0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.18 2dcr n LEU 17 Cb 0.54 -0.66 0.48 0.00 -0.00 0.00 0.00 43.42 43.78 2dcr n LEU 17 CO 0.54 0.72 0.80 -2.67 -0.00 0.00 0.00 177.39 176.78 2dcr n TRP 18 N -3.31 0.64 -2.64 1.47 4.27 -1.13 -0.87 117.44 115.86 2dcr n TRP 18 Ca -0.36 0.30 -0.42 0.00 -3.89 0.00 0.00 57.50 53.13 2dcr n TRP 18 Cb 0.84 -0.98 -0.01 0.00 -1.36 0.00 0.00 31.31 29.80 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 -3.39 2.80 -2.00 -2.67 5.04 -1.26 -0.58 117.35 115.29 2dcr s TYR 19 Ca 0.00 -1.39 0.15 0.00 -2.44 0.00 0.00 57.07 53.40 2dcr s TYR 19 Cb 0.07 -4.65 0.87 0.00 0.35 0.00 0.00 41.96 38.60 2dcr s TYR 19 CO 0.24 -1.79 1.39 0.72 -1.34 0.00 0.00 175.55 174.78 2dcr n HIS 20 N 8.13 0.00 0.00 4.97 8.25 -0.70 -4.86 115.22 131.00 2dcr n HIS 20 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2dcr n HIS 20 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2dcr n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dcr n GLY 21 N 0.41 1.89 2.84 -1.41 0.00 -1.22 -4.60 105.19 103.10 2dcr n GLY 21 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.00 1.46 0.00 4.61 0.00 -1.26 -0.56 121.76 125.01 2dcr s ALA 22 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 2dcr s ALA 22 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2dcr s ALA 22 CO 0.00 -1.12 0.05 -1.50 0.00 0.00 0.00 175.76 173.18 2dcr s ILE 23 N 1.64 0.07 0.71 0.00 2.07 -1.25 -4.83 121.20 119.61 2dcr s ILE 23 Ca -0.03 -0.57 -0.11 0.00 -1.41 0.00 0.00 60.65 58.53 2dcr s ILE 23 Cb -0.18 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.17 2dcr s ILE 23 CO -0.07 -0.31 1.07 -2.16 -1.91 0.00 0.00 174.94 171.55 2dcr s PRO 24 N -0.98 2.81 0.47 3.50 0.04 -1.26 -4.58 135.00 135.00 2dcr s PRO 24 Ca -0.11 0.82 0.18 0.00 0.04 0.00 0.00 61.00 61.93 2dcr s PRO 24 Cb -0.06 -1.99 1.13 0.00 0.04 0.00 0.00 34.50 33.62 2dcr s PRO 24 CO 0.00 -1.16 2.02 0.07 0.04 0.00 0.00 177.00 177.97 2dcr h ARG 25 N -0.75 0.00 0.00 4.56 0.11 -2.02 -2.46 114.38 113.82 2dcr h ARG 25 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 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 0.58 0.16 0.00 0.00 0.10 0.00 0.00 179.97 180.82 2dcr n ALA 26 N -2.45 2.45 0.07 0.08 0.00 -1.26 -2.75 120.51 116.64 2dcr n ALA 26 Ca -0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 2dcr n ALA 26 Cb 0.24 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 2dcr n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dcr h GLU 27 N 0.00 0.28 -0.51 0.00 4.39 -1.82 -3.42 114.58 113.49 2dcr h GLU 27 Ca 0.00 -0.47 0.05 0.00 0.34 0.00 0.00 59.36 59.28 2dcr h GLU 27 Cb 0.30 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 2dcr h GLU 27 CO 0.00 1.15 -0.40 0.28 -1.16 0.00 0.00 179.01 178.88 2dcr h VAL 28 N 0.08 0.00 0.00 3.13 2.07 -1.57 -1.74 116.25 118.21 2dcr h VAL 28 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2dcr h VAL 28 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2dcr h VAL 28 CO 0.17 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2dcr n ALA 29 N -3.08 1.61 0.19 1.67 0.00 -1.26 -0.41 120.51 119.23 2dcr n ALA 29 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.47 2dcr n ALA 29 Cb 0.21 -1.22 0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 0.02 0.00 4.81 -1.59 -3.38 114.58 114.44 2dcr h GLU 30 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2dcr h GLU 30 Cb 0.23 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2dcr h GLU 30 CO 0.00 0.21 -1.81 1.28 -0.73 0.00 0.00 179.01 177.96 2dcr n LEU 31 N -3.15 2.08 -4.81 1.64 4.77 0.45 -4.93 117.00 113.05 2dcr n LEU 31 Ca 0.03 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.99 2dcr n LEU 31 Cb 0.61 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 2dcr n LEU 31 CO 0.37 0.49 0.58 -0.76 -1.33 0.00 0.00 177.39 176.73 2dcr s LEU 32 N -7.56 4.18 0.00 2.23 1.43 -0.08 -4.96 118.68 113.92 2dcr s LEU 32 Ca -0.31 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2dcr s LEU 32 Cb 0.09 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 42.19 2dcr s LEU 32 CO 0.59 -0.16 0.00 0.52 0.23 0.00 0.00 176.35 177.53 2dcr n VAL 33 N 0.08 0.00 -4.28 -1.59 0.31 -1.26 -4.66 118.33 106.93 2dcr n VAL 33 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.18 2dcr n VAL 33 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.00 1.51 -0.15 3.52 3.76 -1.26 -4.94 115.29 116.73 2dcr s HIS 34 Ca 0.00 -0.58 -0.36 0.00 -0.15 0.00 0.00 55.06 53.97 2dcr s HIS 34 Cb 0.00 -0.76 -0.13 0.00 1.11 0.00 0.00 32.58 32.80 2dcr s HIS 34 CO 0.00 0.21 1.85 0.43 -0.85 0.00 0.00 174.74 176.38 2dcr n SER 35 N 0.18 3.14 0.00 1.40 7.64 -1.26 -1.51 113.62 123.21 2dcr n SER 35 Ca -0.13 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2dcr n SER 35 Cb 0.58 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2dcr n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcr n GLY 36 N 4.40 1.94 3.72 0.23 0.00 -0.18 -4.81 105.19 110.49 2dcr n GLY 36 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.70 6.52 0.15 1.61 1.01 -0.57 -1.02 116.67 122.66 2dcr s ASP 37 Ca 0.00 2.69 -0.00 0.00 0.71 0.00 0.00 52.55 55.95 2dcr s ASP 37 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2dcr s ASP 37 CO 0.00 -0.87 0.05 0.72 0.21 0.00 0.00 175.17 175.27 2dcr s PHE 38 N 1.21 1.00 -0.12 4.23 -0.12 -0.87 -0.81 117.98 122.49 2dcr s PHE 38 Ca 0.72 -1.18 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 2dcr s PHE 38 Cb -0.46 -0.56 0.05 0.00 -0.63 0.00 0.00 43.02 41.42 2dcr s PHE 38 CO 0.31 -0.43 0.49 -0.48 -0.05 0.00 0.00 175.22 175.06 2dcr s LEU 39 N -3.10 0.12 -0.21 -1.99 0.05 -0.30 -2.74 118.68 110.52 2dcr s LEU 39 Ca 0.25 0.73 -0.08 0.00 0.05 0.00 0.00 54.13 55.08 2dcr s LEU 39 Cb 0.07 1.78 -0.04 0.00 -2.05 0.00 0.00 46.19 45.95 2dcr s LEU 39 CO 0.03 -0.33 0.09 -0.69 -0.55 0.00 0.00 176.35 174.90 2dcr s VAL 40 N -0.41 4.86 0.34 1.48 1.01 0.25 -1.84 120.40 126.08 2dcr s VAL 40 Ca -0.06 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2dcr s VAL 40 Cb -0.03 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 2dcr s VAL 40 CO 0.03 0.41 0.06 0.00 0.00 0.00 0.00 175.10 175.61 2dcr s ARG 41 N 0.72 1.69 0.07 2.72 1.70 -0.85 -1.73 118.95 123.27 2dcr s ARG 41 Ca 0.05 -1.95 0.09 0.00 -0.47 0.00 0.00 55.73 53.45 2dcr s ARG 41 Cb -0.13 -0.91 -0.03 0.00 -0.57 0.00 0.00 34.95 33.31 2dcr s ARG 41 CO 0.02 -0.20 -0.21 -2.00 -1.08 0.00 0.00 175.30 171.83 2dcr s GLU 42 N -3.87 1.85 1.20 3.89 -6.30 0.28 -0.42 118.70 115.32 2dcr s GLU 42 Ca 0.36 -1.11 -0.19 0.00 -2.50 0.00 0.00 54.97 51.52 2dcr s GLU 42 Cb 0.08 -2.08 0.29 0.00 0.00 0.00 0.00 34.13 32.42 2dcr s GLU 42 CO 0.15 0.51 1.12 0.45 0.02 0.00 0.00 175.26 177.51 2dcr s SER 43 N -1.65 0.96 -1.00 -1.70 0.15 0.15 -3.89 113.70 106.74 2dcr s SER 43 Ca 0.15 0.59 -0.23 0.00 0.70 0.00 0.00 55.95 57.15 2dcr s SER 43 Cb -0.10 -0.80 0.01 0.00 -1.71 0.00 0.00 66.02 63.42 2dcr s SER 43 CO 0.06 -4.09 1.64 0.00 1.20 0.00 0.00 173.24 172.05 2dcr s GLN 44 N -5.45 3.23 0.00 5.44 -2.07 -1.26 -4.01 119.66 115.54 2dcr s GLN 44 Ca 0.71 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 2dcr s GLN 44 Cb -0.09 -5.26 0.00 0.00 -1.09 0.00 0.00 33.01 26.57 2dcr s GLN 44 CO 0.56 -2.65 0.00 0.41 -1.32 0.00 0.00 175.29 172.29 2dcr n GLY 45 N 6.79 0.50 3.48 2.60 0.00 -1.26 -4.98 105.19 112.31 2dcr n GLY 45 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.43 3.64 0.00 1.61 -0.14 -1.26 -5.01 119.74 118.15 2dcr s LYS 46 Ca 0.00 -0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 54.04 2dcr s LYS 46 Cb 0.00 -2.91 -0.16 0.00 -1.68 0.00 0.00 37.83 33.08 2dcr s LYS 46 CO 0.00 0.20 2.47 1.04 -0.76 0.00 0.00 175.35 178.31 2dcr n GLN 47 N 3.64 1.28 -4.03 1.68 6.02 -1.26 -3.41 117.38 121.30 2dcr n GLN 47 Ca -0.17 -0.60 -0.30 0.00 -0.01 0.00 0.00 57.00 55.92 2dcr n GLN 47 Cb 0.52 -1.76 -0.17 0.00 1.02 0.00 0.00 30.24 29.86 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 1.52 2.23 0.62 -1.09 2.12 -1.26 -5.01 118.70 117.82 2dcr s GLU 48 Ca 0.40 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.11 2dcr s GLU 48 Cb 0.19 -2.05 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 2dcr s GLU 48 CO 0.00 -0.23 0.98 0.71 -0.54 0.00 0.00 175.26 176.18 2dcr s TYR 49 N 1.48 3.45 -0.05 5.30 2.02 -1.26 -0.67 117.35 127.62 2dcr s TYR 49 Ca 0.04 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.76 2dcr s TYR 49 Cb -0.13 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.69 2dcr s TYR 49 CO -0.10 -0.80 -0.05 0.08 -1.57 0.00 0.00 175.55 173.11 2dcr s VAL 50 N -3.12 0.63 -0.03 0.71 1.01 0.44 -1.00 120.40 119.04 2dcr s VAL 50 Ca 0.54 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 2dcr s VAL 50 Cb -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2dcr s VAL 50 CO 0.50 0.25 1.25 -0.22 0.00 0.00 0.00 175.10 176.88 2dcr s LEU 51 N 0.97 4.29 -0.12 3.92 2.96 0.63 -2.01 118.68 129.33 2dcr s LEU 51 Ca -0.10 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 2dcr s LEU 51 Cb -0.14 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.00 2dcr s LEU 51 CO -0.00 -0.61 -0.13 -0.44 -1.32 0.00 0.00 176.35 173.85 2dcr s SER 52 N 1.54 2.41 -0.08 3.68 0.01 -0.77 -1.47 113.70 119.03 2dcr s SER 52 Ca 0.58 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 2dcr s SER 52 Cb -0.27 -1.05 0.04 0.00 0.21 0.00 0.00 66.02 64.95 2dcr s SER 52 CO 0.24 -0.03 0.17 0.54 0.41 0.00 0.00 173.24 174.57 2dcr s VAL 53 N 1.22 -0.05 -0.17 3.43 0.11 -0.69 -1.15 120.40 123.10 2dcr s VAL 53 Ca -0.02 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2dcr s VAL 53 Cb -0.14 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2dcr s VAL 53 CO -0.05 0.07 1.07 -0.22 -3.33 0.00 0.00 175.10 172.64 2dcr s LEU 54 N 1.19 4.17 -0.25 2.54 1.98 0.01 -0.44 118.68 127.87 2dcr s LEU 54 Ca -0.09 1.50 -0.01 0.00 -2.89 0.00 0.00 54.13 52.64 2dcr s LEU 54 Cb -0.11 -3.55 0.08 0.00 0.66 0.00 0.00 46.19 43.27 2dcr s LEU 54 CO -0.07 -0.61 0.03 0.86 -1.89 0.00 0.00 176.35 174.68 2dcr s TRP 55 N 2.81 1.81 -1.08 5.38 -0.00 -0.03 -1.01 118.94 126.83 2dcr s TRP 55 Ca 0.47 -1.54 -0.12 0.00 -0.00 0.00 0.00 56.10 54.92 2dcr s TRP 55 Cb -0.18 -1.53 -0.04 0.00 -0.00 0.00 0.00 33.47 31.72 2dcr s TRP 55 CO 0.12 -0.77 0.87 -3.47 -0.00 0.00 0.00 176.95 173.69 2dcr n ASP 56 N 4.83 -6.16 0.00 5.86 2.03 -1.26 -2.61 116.55 119.23 2dcr n ASP 56 Ca -0.07 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.42 2dcr n ASP 56 Cb 0.44 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.37 2dcr n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dcr n GLY 57 N -1.42 0.51 3.14 0.27 0.00 -1.26 -4.97 105.19 101.45 2dcr n GLY 57 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 4.22 -1.13 0.99 1.98 -1.07 -5.04 118.68 118.63 2dcr s LEU 58 Ca 0.00 -1.52 -0.23 0.00 -2.89 0.00 0.00 54.13 49.48 2dcr s LEU 58 Cb 0.00 -1.71 -0.09 0.00 0.66 0.00 0.00 46.19 45.04 2dcr s LEU 58 CO 0.00 -0.32 1.96 -2.16 -1.89 0.00 0.00 176.35 173.93 2dcr s PRO 59 N 1.18 2.39 0.79 0.98 0.04 -1.26 -0.85 135.00 138.28 2dcr s PRO 59 Ca -0.01 -0.95 -0.14 0.00 0.04 0.00 0.00 61.00 59.94 2dcr s PRO 59 Cb -0.20 -5.19 0.08 0.00 0.04 0.00 0.00 34.50 29.22 2dcr s PRO 59 CO -0.03 -4.01 1.22 1.03 0.04 0.00 0.00 177.00 175.25 2dcr s ARG 60 N 6.73 1.69 -0.29 4.56 1.81 0.41 -4.69 118.95 129.18 2dcr s ARG 60 Ca 0.70 1.81 -0.01 0.00 -1.72 0.00 0.00 55.73 56.51 2dcr s ARG 60 Cb -0.02 -1.78 0.09 0.00 -0.45 0.00 0.00 34.95 32.79 2dcr s ARG 60 CO 0.11 -2.18 0.08 -3.38 -0.68 0.00 0.00 175.30 169.25 2dcr s HIS 61 N -2.05 1.71 -0.31 -0.53 -3.43 -1.26 -1.71 115.29 107.71 2dcr s HIS 61 Ca 0.74 -1.65 -0.10 0.00 -0.80 0.00 0.00 55.06 53.25 2dcr s HIS 61 Cb -0.30 -1.64 -0.02 0.00 -1.43 0.00 0.00 32.58 29.19 2dcr s HIS 61 CO 0.50 -0.84 0.16 -0.06 -2.00 0.00 0.00 174.74 172.50 2dcr s PHE 62 N 1.62 3.18 0.35 0.38 0.08 -0.54 -4.98 117.98 118.07 2dcr s PHE 62 Ca 0.07 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 2dcr s PHE 62 Cb -0.17 -2.36 -0.12 0.00 -0.57 0.00 0.00 43.02 39.79 2dcr s PHE 62 CO -0.21 -0.40 1.24 -0.89 -0.10 0.00 0.00 175.22 174.86 2dcr n ILE 63 N 5.00 2.08 -2.04 0.64 2.08 -1.26 -0.27 119.36 125.60 2dcr n ILE 63 Ca -0.14 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.28 2dcr n ILE 63 Cb 0.50 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 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 -1.11 2.60 1.20 1.39 -1.09 -0.17 -4.71 121.20 119.31 2dcr s ILE 64 Ca 0.57 0.50 -0.15 0.00 -2.23 0.00 0.00 60.65 59.34 2dcr s ILE 64 Cb -0.58 -3.28 0.29 0.00 -1.58 0.00 0.00 42.46 37.31 2dcr s ILE 64 CO 0.61 0.05 1.02 -1.10 -1.23 0.00 0.00 174.94 174.29 2dcr s GLN 65 N -2.44 -1.17 -0.28 2.79 1.11 -1.26 -4.85 119.66 113.57 2dcr s GLN 65 Ca 0.61 0.56 -0.26 0.00 0.01 0.00 0.00 55.36 56.27 2dcr s GLN 65 Cb -0.37 -1.55 0.17 0.00 -1.01 0.00 0.00 33.01 30.25 2dcr s GLN 65 CO 0.46 -3.82 1.28 0.45 0.01 0.00 0.00 175.29 173.68 2dcr s SER 66 N -2.90 -0.19 0.18 5.90 0.15 -1.26 -4.77 113.70 110.82 2dcr s SER 66 Ca 0.68 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2dcr s SER 66 Cb -0.21 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2dcr s SER 66 CO 0.62 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.97 2dcr n LEU 67 N 1.49 0.34 0.00 3.45 -0.00 -1.22 -4.84 117.00 116.22 2dcr n LEU 67 Ca -0.09 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 2dcr n LEU 67 Cb 0.57 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2dcr n LEU 67 CO 0.04 -0.71 0.00 0.47 -0.00 0.00 0.00 177.39 177.19 2dcr n ASP 68 N -3.39 0.00 -0.20 1.45 9.92 -1.26 -4.97 116.55 118.09 2dcr n ASP 68 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 2dcr n ASP 68 Cb 0.03 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.54 2dcr n ASP 68 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2dcr n ASN 69 N -2.17 0.84 -2.79 -2.24 0.23 -1.26 -5.09 115.26 102.78 2dcr n ASN 69 Ca 0.00 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.58 51.91 2dcr n ASN 69 Cb 0.00 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.48 2dcr n ASN 69 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2dcr n LEU 70 N -0.40 0.00 -3.75 -4.53 4.77 -1.26 -4.69 117.00 107.14 2dcr n LEU 70 Ca 0.04 -1.87 -0.20 0.00 -0.03 0.00 0.00 56.01 53.94 2dcr n LEU 70 Cb 0.57 0.69 -0.17 0.00 -2.33 0.00 0.00 43.42 42.18 2dcr n LEU 70 CO 0.00 -0.29 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.09 2dcr s TYR 71 N -2.53 0.32 -0.18 -1.77 2.02 -0.41 -3.44 117.35 111.36 2dcr s TYR 71 Ca 0.15 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2dcr s TYR 71 Cb 0.01 -0.55 0.05 0.00 -0.40 0.00 0.00 41.96 41.07 2dcr s TYR 71 CO 0.10 -0.21 -0.03 -0.98 -1.57 0.00 0.00 175.55 172.87 2dcr s ARG 72 N 1.71 1.23 -0.11 -0.62 1.04 -1.26 -1.53 118.95 119.41 2dcr s ARG 72 Ca -0.00 -0.54 0.18 0.00 -1.04 0.00 0.00 55.73 54.33 2dcr s ARG 72 Cb -0.13 -2.07 -0.26 0.00 -2.04 0.00 0.00 34.95 30.45 2dcr s ARG 72 CO -0.03 -0.50 0.22 -0.11 -0.04 0.00 0.00 175.30 174.84 2dcr n LEU 73 N 4.90 0.00 0.15 -1.89 7.94 -1.26 -4.75 117.00 122.09 2dcr n LEU 73 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 2dcr n LEU 73 Cb 0.47 0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.68 2dcr n LEU 73 CO 0.16 0.26 0.00 1.21 -1.11 0.00 0.00 177.39 177.90 2dcr n GLU 74 N -2.47 0.00 0.00 1.96 4.07 -1.26 -4.65 120.64 118.29 2dcr n GLU 74 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2dcr n GLU 74 Cb 0.85 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.23 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 1.09 0.75 3.55 8.31 0.00 -1.26 -5.10 105.19 112.53 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 3.39 -1.39 0.27 1.61 -1.05 -1.26 -4.94 118.70 115.33 2dcr s GLU 76 Ca 0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 54.85 2dcr s GLU 76 Cb 0.00 -1.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.08 2dcr s GLU 76 CO 0.00 -3.84 0.47 0.20 0.95 0.00 0.00 175.26 173.04 2dcr s GLY 77 N -3.70 1.56 0.16 -3.83 0.00 -1.26 -4.44 107.32 95.82 2dcr s GLY 77 Ca 0.70 -0.87 0.11 0.00 0.00 0.00 0.00 44.72 44.66 2dcr s GLY 77 CO 0.57 -0.82 -0.25 -1.36 0.00 0.00 0.00 173.10 171.24 2dcr s PHE 78 N -2.08 2.29 -0.49 1.90 0.40 -0.58 -4.85 117.98 114.57 2dcr s PHE 78 Ca 0.39 -0.37 0.25 0.00 -0.60 0.00 0.00 56.93 56.60 2dcr s PHE 78 Cb -0.10 -1.18 0.96 0.00 0.51 0.00 0.00 43.02 43.21 2dcr s PHE 78 CO 0.32 0.42 1.75 -1.00 0.70 0.00 0.00 175.22 177.41 2dcr h PRO 79 N 3.51 0.00 -4.93 0.24 0.13 -1.89 -1.09 132.00 127.97 2dcr h PRO 79 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 2dcr h PRO 79 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2dcr h PRO 79 CO 0.44 0.00 -0.75 -1.12 -0.23 0.00 0.00 178.00 176.34 2dcr s SER 80 N -4.45 1.28 0.02 1.44 0.01 -1.26 -4.85 113.70 105.88 2dcr s SER 80 Ca 0.05 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.46 2dcr s SER 80 Cb 0.10 0.00 -0.16 0.00 0.21 0.00 0.00 66.02 66.17 2dcr s SER 80 CO 0.45 -0.17 1.33 0.40 0.41 0.00 0.00 173.24 175.66 2dcr h ILE 81 N 4.22 1.35 0.00 1.44 2.04 -1.96 -3.26 117.51 121.34 2dcr h ILE 81 Ca -0.38 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2dcr h ILE 81 Cb 1.19 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2dcr h ILE 81 CO 0.43 0.35 0.00 1.55 0.00 0.00 0.00 178.15 180.48 2dcr h PRO 82 N -0.14 0.00 0.03 2.37 0.13 -1.91 -0.80 132.00 131.68 2dcr h PRO 82 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2dcr h PRO 82 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2dcr h PRO 82 CO 0.02 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.71 2dcr h LEU 83 N 0.00 -0.03 -0.64 1.56 3.38 -1.61 -3.17 115.31 114.79 2dcr h LEU 83 Ca 0.00 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2dcr h LEU 83 Cb 0.44 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dcr h LEU 83 CO 0.00 0.04 -0.56 0.25 0.09 0.00 0.00 178.44 178.25 2dcr h LEU 84 N -0.10 0.38 -1.22 1.67 5.85 -1.22 -3.12 115.31 117.56 2dcr h LEU 84 Ca -0.00 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2dcr h LEU 84 Cb 0.09 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2dcr h LEU 84 CO 0.01 0.87 0.57 0.40 -0.34 0.00 0.00 178.44 179.94 2dcr h ILE 85 N 0.26 0.95 -0.26 4.05 1.08 -1.31 0.19 117.51 122.47 2dcr h ILE 85 Ca 0.00 -0.29 -0.18 0.00 -0.39 0.00 0.00 64.86 64.00 2dcr h ILE 85 Cb 1.07 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2dcr h ILE 85 CO 0.09 0.15 -0.56 -0.78 -0.69 0.00 0.00 178.15 176.37 2dcr h ASP 86 N 0.85 0.90 0.33 1.72 3.58 -1.53 0.33 116.42 122.59 2dcr h ASP 86 Ca 0.41 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2dcr h ASP 86 Cb 0.45 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2dcr h ASP 86 CO -0.18 1.27 0.00 1.41 -2.88 0.00 0.00 179.24 178.86 2dcr n HIS 87 N -3.99 0.00 -0.07 0.28 8.25 -0.37 -0.43 115.22 118.88 2dcr n HIS 87 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 2dcr n HIS 87 Cb 0.63 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.28 2.12 0.08 2.41 4.77 -0.09 -4.44 117.00 120.57 2dcr n LEU 88 Ca 0.08 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2dcr n LEU 88 Cb 0.14 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2dcr n LEU 88 CO 0.13 0.63 0.23 0.25 -1.33 0.00 0.00 177.39 177.30 2dcr h LEU 89 N 0.00 0.00 0.00 2.23 5.85 -0.05 0.20 115.31 123.54 2dcr h LEU 89 Ca -0.35 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2dcr h LEU 89 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2dcr h LEU 89 CO -0.03 0.82 -0.29 -1.28 -0.34 0.00 0.00 178.44 177.32 2dcr h SER 90 N 0.00 0.00 0.00 1.25 0.87 -0.95 -3.37 113.55 111.35 2dcr h SER 90 Ca -0.02 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.28 2dcr h SER 90 Cb 1.64 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.55 2dcr h SER 90 CO 0.10 0.21 -2.06 0.35 -0.53 0.00 0.00 176.83 174.91 2dcr n THR 91 N -3.12 0.96 -3.18 2.23 -2.24 -1.14 -5.02 114.28 102.77 2dcr n THR 91 Ca 0.03 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 2dcr n THR 91 Cb 0.62 -0.50 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.53 -5.22 -2.17 -0.78 1.13 0.68 -5.03 117.38 103.45 2dcr n GLN 92 Ca -0.23 0.57 -0.32 0.00 -1.94 0.00 0.00 57.00 55.07 2dcr n GLN 92 Cb 0.95 -4.80 -0.01 0.00 0.11 0.00 0.00 30.24 26.49 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 -5.67 3.57 0.52 -1.09 -0.21 -1.20 -4.87 119.66 110.71 2dcr s GLN 93 Ca 0.31 1.09 -0.21 0.00 0.02 0.00 0.00 55.36 56.56 2dcr s GLN 93 Cb -0.13 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.74 2dcr s GLN 93 CO 0.50 -0.59 1.20 -1.25 -2.12 0.00 0.00 175.29 173.02 2dcr s PRO 94 N -4.12 3.41 0.02 2.91 0.04 -1.26 -4.26 135.00 131.73 2dcr s PRO 94 Ca 0.61 1.83 0.22 0.00 0.04 0.00 0.00 61.00 63.70 2dcr s PRO 94 Cb -0.13 -2.20 -0.25 0.00 0.04 0.00 0.00 34.50 31.96 2dcr s PRO 94 CO 0.35 -0.86 0.60 1.28 0.04 0.00 0.00 177.00 178.42 2dcr n LEU 95 N -0.97 0.23 -3.71 -3.56 4.77 0.34 -4.78 117.00 109.32 2dcr n LEU 95 Ca 0.10 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2dcr n LEU 95 Cb 0.48 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 2dcr n LEU 95 CO 0.47 -0.01 0.10 0.28 -1.33 0.00 0.00 177.39 176.89 2dcr s THR 96 N -3.41 0.06 0.65 -5.08 -1.32 -1.26 -4.79 115.64 100.49 2dcr s THR 96 Ca -0.06 -0.51 0.35 0.00 -1.21 0.00 0.00 61.69 60.26 2dcr s THR 96 Cb 0.12 -0.89 0.37 0.00 -1.51 0.00 0.00 72.50 70.60 2dcr s THR 96 CO 0.87 -0.28 2.13 0.50 -2.21 0.00 0.00 174.62 175.63 2dcr h LYS 97 N 3.24 0.00 0.00 7.08 1.63 -1.91 -2.10 116.57 124.51 2dcr h LYS 97 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2dcr h LYS 97 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2dcr h LYS 97 CO 0.43 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 178.06 2dcr n LYS 98 N -3.16 0.00 0.11 1.90 4.01 -1.26 -4.67 118.16 115.08 2dcr n LYS 98 Ca -0.01 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.91 2dcr n LYS 98 Cb 0.26 -0.40 0.46 0.00 -0.51 0.00 0.00 35.03 34.84 2dcr n LYS 98 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2dcr n SER 99 N -0.38 0.63 -1.91 4.39 7.64 -1.14 -4.87 113.62 117.98 2dcr n SER 99 Ca 0.00 0.62 -0.15 0.00 1.01 0.00 0.00 58.87 60.34 2dcr n SER 99 Cb 0.00 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 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 0.49 0.52 3.65 0.23 0.00 -0.80 -4.96 105.19 104.32 2dcr n GLY 100 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.77 4.10 -4.27 1.61 0.31 -1.26 -4.74 118.33 111.31 2dcr n VAL 101 Ca -0.17 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.46 2dcr n VAL 101 Cb 0.57 -1.26 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 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 -1.48 1.52 0.59 2.52 -7.23 -1.26 -0.50 120.40 114.56 2dcr s VAL 102 Ca 0.78 -1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 2dcr s VAL 102 Cb -0.40 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2dcr s VAL 102 CO 0.45 -0.30 1.26 -0.76 -0.31 0.00 0.00 175.10 175.44 2dcr s LEU 103 N -2.33 3.70 0.00 1.32 1.43 -1.26 -4.43 118.68 117.10 2dcr s LEU 103 Ca 0.09 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 2dcr s LEU 103 Cb -0.07 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2dcr s LEU 103 CO 0.04 -1.67 0.00 1.41 0.23 0.00 0.00 176.35 176.36 2dcr n HIS 104 N -1.50 0.00 -3.88 0.29 8.25 -1.02 -4.65 115.22 112.71 2dcr n HIS 104 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 2dcr n HIS 104 Cb 0.48 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.00 0.27 -0.19 -0.41 6.06 -0.19 -4.96 118.95 118.53 2dcr s ARG 105 Ca 0.00 -0.20 -0.01 0.00 -2.50 0.00 0.00 55.73 53.02 2dcr s ARG 105 Cb 0.00 0.11 0.00 0.00 0.06 0.00 0.00 34.95 35.12 2dcr s ARG 105 CO 0.00 -0.05 -0.12 0.00 -2.50 0.00 0.00 175.30 172.63 2dcr s ALA 106 N -0.72 2.58 -0.05 6.12 0.00 -1.26 -2.06 121.76 126.37 2dcr s ALA 106 Ca -0.08 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 2dcr s ALA 106 Cb -0.05 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 2dcr s ALA 106 CO 0.00 -0.25 1.70 0.08 0.00 0.00 0.00 175.76 177.30 2dcr s VAL 107 N 1.17 3.50 -0.36 0.00 1.01 -1.11 -4.89 120.40 119.73 2dcr s VAL 107 Ca 0.01 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2dcr s VAL 107 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2dcr s VAL 107 CO -0.04 -0.07 1.27 -2.16 0.00 0.00 0.00 175.10 174.10 2dcr s PRO 108 N 4.17 3.83 -0.00 2.72 0.04 -1.26 -2.85 135.00 141.65 2dcr s PRO 108 Ca 0.76 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 2dcr s PRO 108 Cb -0.34 -3.90 -0.17 0.00 0.04 0.00 0.00 34.50 30.13 2dcr s PRO 108 CO 0.31 -1.24 1.22 1.03 0.04 0.00 0.00 177.00 178.37 2dcr h SER 109 N 9.44 -0.20 -4.77 6.66 0.87 -1.36 -3.48 113.55 120.71 2dcr h SER 109 Ca -0.25 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2dcr h SER 109 Cb 1.09 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2dcr h SER 109 CO 1.06 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 178.17 2dcr n GLY 110 N -0.07 2.17 0.10 5.77 0.00 -1.24 -4.98 105.19 106.94 2dcr n GLY 110 Ca -0.09 -2.11 0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.23 0.73 -4.21 1.61 -0.04 -1.26 -4.22 135.00 126.37 2dcr n PRO 111 Ca 0.00 -0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 2dcr n PRO 111 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -2.42 1.42 0.29 3.54 0.15 -1.26 -4.32 113.70 111.10 2dcr s SER 112 Ca 0.31 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.48 2dcr s SER 112 Cb 0.20 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2dcr s SER 112 CO 0.45 -0.06 0.32 -1.20 1.20 0.00 0.00 173.24 173.96 2dcr n SER 113 N 1.65 -0.86 0.00 5.45 7.64 -1.26 -5.02 113.62 121.22 2dcr n SER 113 Ca -0.20 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2dcr n SER 113 Cb 0.55 1.76 0.00 0.00 -1.01 0.00 0.00 64.21 65.51 2dcr n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64