#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 6.76 -0.00 1.61 0.01 -1.26 -4.95 113.70 115.86 2dcr s SER 2 Ca 0.00 1.77 0.02 0.00 1.31 0.00 0.00 55.95 59.05 2dcr s SER 2 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2dcr s SER 2 CO 0.00 -0.49 0.05 -1.54 0.41 0.00 0.00 173.24 171.67 2dcr n SER 3 N -0.72 3.43 0.00 2.44 3.41 -1.26 -5.02 113.62 115.90 2dcr n SER 3 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2dcr n SER 3 Cb 0.53 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 2dcr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dcr n GLY 4 N 2.05 0.53 3.45 5.00 0.00 -1.26 -4.96 105.19 110.00 2dcr n GLY 4 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2dcr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dcr n SER 5 N -0.06 1.41 0.00 1.61 7.64 -1.26 -4.83 113.62 118.13 2dcr n SER 5 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2dcr n SER 5 Cb 0.03 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2dcr n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dcr n SER 6 N 10.83 0.00 0.00 6.43 3.41 -1.26 -5.05 113.62 127.98 2dcr n SER 6 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2dcr n SER 6 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2dcr n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dcr n GLY 7 N 0.00 1.97 3.28 5.00 0.00 -1.26 -4.88 105.19 109.29 2dcr n GLY 7 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.59 -0.29 1.61 -0.58 -1.26 -4.81 120.64 112.72 2dcr n GLU 8 Ca 0.00 0.27 -0.02 0.00 -0.42 0.00 0.00 57.16 56.99 2dcr n GLU 8 Cb 0.00 -4.88 0.15 0.00 -0.57 0.00 0.00 31.44 26.14 2dcr n GLU 8 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dcr h VAL 9 N -0.57 1.24 0.00 2.62 2.07 -1.89 -1.21 116.25 118.51 2dcr h VAL 9 Ca -0.32 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2dcr h VAL 9 Cb 1.22 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2dcr h VAL 9 CO 0.44 0.26 -0.06 1.56 0.02 0.00 0.00 177.57 179.78 2dcr h GLN 10 N 1.17 0.00 -7.16 1.57 1.08 -1.92 -3.35 115.11 106.50 2dcr h GLN 10 Ca 0.30 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.97 2dcr h GLN 10 Cb -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.54 2dcr h GLN 10 CO -0.05 0.00 0.41 0.15 -0.95 0.00 0.00 178.83 178.39 2dcr s LYS 11 N -3.14 2.48 0.62 1.46 1.02 -0.46 -4.97 119.74 116.75 2dcr s LYS 11 Ca 0.09 1.71 -0.17 0.00 0.02 0.00 0.00 55.97 57.62 2dcr s LYS 11 Cb 0.10 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2dcr s LYS 11 CO 0.63 -1.56 1.15 -1.25 -0.92 0.00 0.00 175.35 173.39 2dcr s PRO 12 N -3.79 2.89 0.28 -1.68 0.04 -1.26 -4.88 135.00 126.59 2dcr s PRO 12 Ca 0.74 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 2dcr s PRO 12 Cb -0.28 -1.94 0.61 0.00 0.04 0.00 0.00 34.50 32.92 2dcr s PRO 12 CO 0.41 -1.22 1.62 1.25 0.04 0.00 0.00 177.00 179.11 2dcr h LEU 13 N 0.48 -0.25 0.00 -3.56 6.46 -1.93 -0.70 115.31 115.81 2dcr h LEU 13 Ca -0.49 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2dcr h LEU 13 Cb 1.27 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 2dcr h LEU 13 CO 0.54 -0.21 0.00 0.00 -0.62 0.00 0.00 178.44 178.15 2dcr n HIS 14 N -5.34 0.00 -0.62 1.25 1.44 -1.26 -1.65 115.22 109.04 2dcr n HIS 14 Ca 0.19 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.90 2dcr n HIS 14 Cb 0.61 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.91 1.45 -1.08 -1.40 1.02 -0.29 -4.91 120.64 114.52 2dcr n GLU 15 Ca 0.11 -1.14 -0.30 0.00 -0.02 0.00 0.00 57.16 55.80 2dcr n GLU 15 Cb 0.05 -0.80 0.25 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.67 -1.42 -0.12 3.49 -1.52 -0.66 -4.79 119.66 113.98 2dcr s GLN 16 Ca 0.02 -0.14 -0.01 0.00 -1.95 0.00 0.00 55.36 53.28 2dcr s GLN 16 Cb 0.02 -1.58 -0.07 0.00 -0.22 0.00 0.00 33.01 31.16 2dcr s GLN 16 CO 0.00 -3.83 -0.12 1.47 -0.25 0.00 0.00 175.29 172.57 2dcr n LEU 17 N -4.83 2.41 0.00 2.90 -0.00 -1.26 -4.40 117.00 111.82 2dcr n LEU 17 Ca 0.14 -0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.21 2dcr n LEU 17 Cb 0.60 -0.39 0.30 0.00 -0.00 0.00 0.00 43.42 43.92 2dcr n LEU 17 CO 0.43 0.57 0.71 -2.67 -0.00 0.00 0.00 177.39 176.44 2dcr n TRP 18 N -3.03 0.00 -2.52 1.47 4.27 -1.20 -0.81 117.44 115.62 2dcr n TRP 18 Ca -0.21 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 52.98 2dcr n TRP 18 Cb 0.70 -0.46 -0.03 0.00 -1.36 0.00 0.00 31.31 30.17 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 -2.93 2.47 -2.40 -2.67 5.04 -1.26 -1.08 117.35 114.53 2dcr s TYR 19 Ca 0.08 0.38 0.23 0.00 -2.44 0.00 0.00 57.07 55.32 2dcr s TYR 19 Cb 0.09 -4.49 0.09 0.00 0.35 0.00 0.00 41.96 38.00 2dcr s TYR 19 CO 0.24 -1.76 1.17 0.72 -1.34 0.00 0.00 175.55 174.57 2dcr n HIS 20 N 8.89 0.00 0.00 4.97 8.25 -0.73 -4.77 115.22 131.84 2dcr n HIS 20 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2dcr n HIS 20 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.39 0.92 1.54 -1.41 0.00 -1.23 -4.47 105.19 101.94 2dcr n GLY 21 Ca 0.11 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2dcr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcr n ALA 22 N 1.38 3.02 -1.75 4.61 0.00 -1.26 -1.06 120.51 125.44 2dcr n ALA 22 Ca 0.00 -2.82 -0.36 0.00 0.00 0.00 0.00 53.44 50.25 2dcr n ALA 22 Cb 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 19.45 18.88 2dcr n ALA 22 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2dcr s ILE 23 N -2.00 2.48 0.81 0.00 -4.36 -1.26 -4.60 121.20 112.26 2dcr s ILE 23 Ca 0.36 0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 60.93 2dcr s ILE 23 Cb 0.37 -3.12 0.08 0.00 1.25 0.00 0.00 42.46 41.04 2dcr s ILE 23 CO -0.10 -0.06 1.10 -2.16 0.24 0.00 0.00 174.94 173.96 2dcr s PRO 24 N -3.34 2.00 0.46 0.37 0.04 -1.26 -4.50 135.00 128.77 2dcr s PRO 24 Ca 0.79 0.59 0.14 0.00 0.04 0.00 0.00 61.00 62.56 2dcr s PRO 24 Cb -0.32 -1.91 1.05 0.00 0.04 0.00 0.00 34.50 33.35 2dcr s PRO 24 CO 0.35 -1.67 2.03 0.07 0.04 0.00 0.00 177.00 177.82 2dcr h ARG 25 N -1.12 0.06 -0.05 4.56 0.11 -1.96 -2.78 114.38 113.20 2dcr h ARG 25 Ca -0.47 -0.01 -0.20 0.00 0.10 0.00 0.00 59.98 59.40 2dcr h ARG 25 Cb 1.28 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 2dcr h ARG 25 CO 0.60 0.16 -0.80 0.00 0.10 0.00 0.00 179.97 180.02 2dcr h ALA 26 N 1.85 0.52 -0.05 0.08 0.00 -2.02 -3.13 119.26 116.52 2dcr h ALA 26 Ca 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2dcr h ALA 26 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dcr h ALA 26 CO 0.01 0.79 -0.09 0.93 0.00 0.00 0.00 179.25 180.90 2dcr h GLU 27 N 0.24 0.07 -0.34 0.00 4.39 -1.87 -3.02 114.58 114.05 2dcr h GLU 27 Ca -0.05 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2dcr h GLU 27 Cb 1.40 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.98 2dcr h GLU 27 CO 0.14 0.17 -0.37 0.28 -1.16 0.00 0.00 179.01 178.07 2dcr h VAL 28 N 0.07 0.00 0.00 3.13 2.07 -1.57 -1.32 116.25 118.63 2dcr h VAL 28 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2dcr h VAL 28 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2dcr h VAL 28 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2dcr h ALA 29 N -0.40 1.00 0.00 1.67 0.00 -1.71 0.19 119.26 120.02 2dcr h ALA 29 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2dcr h ALA 29 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dcr h ALA 29 CO -0.43 0.00 -0.29 1.49 0.00 0.00 0.00 179.25 180.02 2dcr h GLU 30 N 0.00 0.00 0.03 0.00 4.57 -1.31 -3.34 114.58 114.53 2dcr h GLU 30 Ca 0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.81 2dcr h GLU 30 Cb 0.48 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 2dcr h GLU 30 CO 0.00 0.29 -2.08 1.28 -1.18 0.00 0.00 179.01 177.32 2dcr n LEU 31 N -3.82 2.31 -4.68 1.64 4.77 0.36 -4.92 117.00 112.67 2dcr n LEU 31 Ca -0.01 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2dcr n LEU 31 Cb 0.38 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 2dcr n LEU 31 CO 0.36 0.64 0.53 -0.76 -1.33 0.00 0.00 177.39 176.82 2dcr s LEU 32 N -7.28 4.20 0.00 2.23 1.43 0.40 -4.90 118.68 114.77 2dcr s LEU 32 Ca -0.32 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2dcr s LEU 32 Cb 0.09 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2dcr s LEU 32 CO 0.60 -0.31 0.00 0.52 0.23 0.00 0.00 176.35 177.39 2dcr n VAL 33 N 4.51 0.00 -5.19 -1.59 0.31 -1.26 -4.65 118.33 110.46 2dcr n VAL 33 Ca 0.02 -0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 63.98 2dcr n VAL 33 Cb 0.50 0.43 -0.16 0.00 -0.91 0.00 0.00 33.84 33.70 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 -0.68 2.46 -0.33 3.52 3.76 -1.26 -5.05 115.29 117.71 2dcr s HIS 34 Ca 0.00 -0.49 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 2dcr s HIS 34 Cb 0.00 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 2dcr s HIS 34 CO 0.00 -0.06 2.25 -1.13 -0.85 0.00 0.00 174.74 174.95 2dcr n SER 35 N 2.63 2.60 0.00 1.40 3.41 -1.26 -1.26 113.62 121.13 2dcr n SER 35 Ca -0.17 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2dcr n SER 35 Cb 0.52 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2dcr n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dcr n GLY 36 N 6.15 1.89 3.64 5.00 0.00 0.21 -4.86 105.19 117.21 2dcr n GLY 36 Ca 0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 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 3.70 -4.43 1.61 8.00 -0.39 -0.95 116.55 124.09 2dcr n ASP 37 Ca 0.00 0.67 -0.24 0.00 0.71 0.00 0.00 54.79 55.93 2dcr n ASP 37 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 41.12 39.49 2dcr n ASP 37 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2dcr s PHE 38 N 5.74 2.21 0.19 1.24 -0.12 0.36 -1.57 117.98 126.02 2dcr s PHE 38 Ca 0.94 -0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 57.40 2dcr s PHE 38 Cb -0.46 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 40.88 2dcr s PHE 38 CO 0.42 0.57 0.21 -0.48 -0.05 0.00 0.00 175.22 175.89 2dcr s LEU 39 N -3.10 1.10 -0.12 -1.99 0.05 0.09 -2.07 118.68 112.65 2dcr s LEU 39 Ca 0.25 -1.17 0.01 0.00 0.05 0.00 0.00 54.13 53.27 2dcr s LEU 39 Cb -0.06 0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 44.84 2dcr s LEU 39 CO 0.12 -0.88 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.18 2dcr s VAL 40 N -4.07 2.75 0.34 1.48 1.01 -0.24 -1.57 120.40 120.10 2dcr s VAL 40 Ca 0.28 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2dcr s VAL 40 Cb 0.05 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2dcr s VAL 40 CO 0.07 0.54 0.15 0.00 0.00 0.00 0.00 175.10 175.85 2dcr s ARG 41 N 0.33 1.70 0.33 2.72 1.70 -0.25 -1.78 118.95 123.69 2dcr s ARG 41 Ca -0.13 -1.99 0.09 0.00 -0.47 0.00 0.00 55.73 53.23 2dcr s ARG 41 Cb -0.16 -0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 33.88 2dcr s ARG 41 CO 0.07 -0.44 0.02 -2.00 -1.08 0.00 0.00 175.30 171.86 2dcr s GLU 42 N -3.78 2.13 0.56 3.89 -6.30 -0.23 -0.03 118.70 114.95 2dcr s GLU 42 Ca 0.33 -1.68 -0.09 0.00 -2.50 0.00 0.00 54.97 51.03 2dcr s GLU 42 Cb 0.05 -1.99 0.14 0.00 0.00 0.00 0.00 34.13 32.32 2dcr s GLU 42 CO 0.17 0.17 0.50 -1.13 0.02 0.00 0.00 175.26 174.99 2dcr n SER 43 N -0.96 -1.45 -1.05 -1.70 3.41 0.45 -4.66 113.62 107.65 2dcr n SER 43 Ca -0.04 -0.82 0.11 0.00 -0.26 0.00 0.00 58.87 57.86 2dcr n SER 43 Cb 0.62 -0.46 0.27 0.00 -0.26 0.00 0.00 64.21 64.37 2dcr n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dcr n GLN 44 N -3.00 2.35 0.00 4.33 10.64 -1.26 -4.84 117.38 125.60 2dcr n GLN 44 Ca 0.07 -2.07 0.00 0.00 -1.83 0.00 0.00 57.00 53.17 2dcr n GLN 44 Cb 0.27 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2dcr n GLN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dcr n GLY 45 N 1.44 -0.28 0.70 2.61 0.00 -1.26 -5.04 105.19 103.37 2dcr n GLY 45 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2dcr n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dcr n LYS 46 N 0.00 1.94 -4.03 1.61 4.76 -1.26 -4.94 118.16 116.24 2dcr n LYS 46 Ca 0.00 -1.40 -0.28 0.00 -2.87 0.00 0.00 58.31 53.76 2dcr n LYS 46 Cb 0.00 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 2dcr n LYS 46 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dcr n GLN 47 N 0.64 -3.26 -4.47 1.97 6.02 -1.26 -4.98 117.38 112.04 2dcr n GLN 47 Ca 0.17 0.39 -0.20 0.00 -0.01 0.00 0.00 57.00 57.35 2dcr n GLN 47 Cb 0.42 -4.67 -0.15 0.00 1.02 0.00 0.00 30.24 26.87 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 -6.68 0.90 0.42 -1.09 2.12 -1.26 -5.03 118.70 108.07 2dcr s GLU 48 Ca 0.21 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 2dcr s GLU 48 Cb -0.11 -0.87 -0.02 0.00 0.26 0.00 0.00 34.13 33.39 2dcr s GLU 48 CO 0.90 0.24 0.64 0.71 -0.54 0.00 0.00 175.26 177.21 2dcr s TYR 49 N -0.32 3.36 -0.01 5.30 2.02 -1.26 -0.41 117.35 126.03 2dcr s TYR 49 Ca 0.04 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 57.10 2dcr s TYR 49 Cb -0.05 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2dcr s TYR 49 CO -0.00 -0.18 -0.08 0.08 -1.57 0.00 0.00 175.55 173.80 2dcr s VAL 50 N -2.49 0.62 -0.03 0.71 1.01 0.96 -1.20 120.40 119.99 2dcr s VAL 50 Ca 0.45 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2dcr s VAL 50 Cb -0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2dcr s VAL 50 CO 0.38 0.18 0.46 -0.22 0.00 0.00 0.00 175.10 175.90 2dcr s LEU 51 N -0.18 4.42 -0.17 3.92 2.96 0.57 -1.09 118.68 129.11 2dcr s LEU 51 Ca 0.03 0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 54.89 2dcr s LEU 51 Cb -0.03 -2.69 0.05 0.00 0.50 0.00 0.00 46.19 44.02 2dcr s LEU 51 CO -0.00 0.20 0.00 -0.44 -1.32 0.00 0.00 176.35 174.79 2dcr s SER 52 N -0.50 2.73 0.17 3.68 0.01 -0.61 -2.07 113.70 117.12 2dcr s SER 52 Ca 0.25 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.90 2dcr s SER 52 Cb -0.17 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 2dcr s SER 52 CO 0.13 -0.25 -0.14 0.54 0.41 0.00 0.00 173.24 173.93 2dcr s VAL 53 N 1.79 1.55 -0.25 3.43 0.11 -1.26 -0.73 120.40 125.03 2dcr s VAL 53 Ca 0.00 -2.06 -0.09 0.00 -2.93 0.00 0.00 61.98 56.90 2dcr s VAL 53 Cb -0.16 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 2dcr s VAL 53 CO -0.07 -0.57 0.12 -0.22 -3.33 0.00 0.00 175.10 171.02 2dcr s LEU 54 N -3.07 3.72 -0.16 2.54 2.96 -0.61 -0.62 118.68 123.44 2dcr s LEU 54 Ca 0.18 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2dcr s LEU 54 Cb -0.01 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.72 2dcr s LEU 54 CO 0.05 -0.01 -0.03 0.86 -1.32 0.00 0.00 176.35 175.89 2dcr s TRP 55 N 1.50 1.48 -0.96 5.38 -0.00 -0.36 -0.62 118.94 125.35 2dcr s TRP 55 Ca 0.06 -0.95 -0.18 0.00 -0.00 0.00 0.00 56.10 55.03 2dcr s TRP 55 Cb -0.15 -1.21 0.02 0.00 -0.00 0.00 0.00 33.47 32.13 2dcr s TRP 55 CO 0.06 -0.58 0.60 -3.47 -0.00 0.00 0.00 176.95 173.55 2dcr n ASP 56 N 4.93 -4.11 -1.31 5.86 2.03 -1.26 -1.37 116.55 121.32 2dcr n ASP 56 Ca -0.11 -1.08 -0.13 0.00 0.52 0.00 0.00 54.79 53.99 2dcr n ASP 56 Cb 0.48 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 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 -1.82 0.42 2.59 0.27 0.00 -1.26 -4.99 105.19 100.41 2dcr n GLY 57 Ca -0.20 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.47 0.75 -0.68 0.99 2.96 -0.47 -5.08 118.68 113.68 2dcr s LEU 58 Ca 0.00 -1.18 -0.26 0.00 -0.22 0.00 0.00 54.13 52.47 2dcr s LEU 58 Cb 0.00 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 2dcr s LEU 58 CO 0.00 -0.41 2.01 -2.16 -1.32 0.00 0.00 176.35 174.46 2dcr s PRO 59 N 2.04 2.45 1.23 0.98 0.04 -1.26 -1.23 135.00 139.25 2dcr s PRO 59 Ca 0.07 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.40 2dcr s PRO 59 Cb -0.16 -4.62 0.32 0.00 0.04 0.00 0.00 34.50 30.08 2dcr s PRO 59 CO -0.29 -3.11 0.78 0.54 0.04 0.00 0.00 177.00 174.97 2dcr n ARG 60 N 9.05 -4.18 -3.73 4.56 5.12 0.21 -4.92 116.66 122.78 2dcr n ARG 60 Ca 0.30 -1.30 -0.13 0.00 -1.93 0.00 0.00 57.85 54.78 2dcr n ARG 60 Cb 0.51 -1.59 -0.14 0.00 -1.16 0.00 0.00 32.46 30.08 2dcr n ARG 60 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2dcr s HIS 61 N -2.10 -0.26 -0.05 -1.55 -3.43 -1.26 -4.30 115.29 102.34 2dcr s HIS 61 Ca 0.58 0.67 0.02 0.00 -0.80 0.00 0.00 55.06 55.54 2dcr s HIS 61 Cb -0.09 -0.02 0.01 0.00 -1.43 0.00 0.00 32.58 31.05 2dcr s HIS 61 CO 0.48 -0.22 -0.10 -0.06 -2.00 0.00 0.00 174.74 172.84 2dcr s PHE 62 N 1.35 1.17 0.39 0.38 0.08 -0.88 -5.02 117.98 115.46 2dcr s PHE 62 Ca -0.08 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.32 2dcr s PHE 62 Cb -0.11 -0.88 -0.11 0.00 -0.57 0.00 0.00 43.02 41.36 2dcr s PHE 62 CO -0.07 -0.21 1.38 -0.89 -0.10 0.00 0.00 175.22 175.33 2dcr n ILE 63 N 3.71 2.29 -1.77 0.64 2.08 -1.26 -0.32 119.36 124.73 2dcr n ILE 63 Ca -0.22 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.19 2dcr n ILE 63 Cb 0.52 -1.76 0.03 0.00 -0.75 0.00 0.00 39.64 37.68 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 -1.15 2.02 0.86 1.39 -1.09 -0.34 -4.70 121.20 118.20 2dcr s ILE 64 Ca 0.57 0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 2dcr s ILE 64 Cb -0.50 -3.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2dcr s ILE 64 CO 0.61 0.00 0.64 0.00 -1.23 0.00 0.00 174.94 174.96 2dcr n GLN 65 N -0.49 -0.06 -3.51 2.79 3.00 -1.26 -4.91 117.38 112.94 2dcr n GLN 65 Ca 0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2dcr n GLN 65 Cb 0.43 -1.99 -0.05 0.00 0.00 0.00 0.00 30.24 28.62 2dcr n GLN 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2dcr s SER 66 N -1.93 -0.41 0.00 1.08 1.04 -1.26 -4.71 113.70 107.51 2dcr s SER 66 Ca 0.63 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2dcr s SER 66 Cb -0.26 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.17 2dcr s SER 66 CO 0.61 -0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.74 2dcr n LEU 67 N 4.12 0.00 0.06 2.42 -0.00 -1.18 -4.96 117.00 117.46 2dcr n LEU 67 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2dcr n LEU 67 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2dcr n LEU 67 CO -0.00 -0.19 0.00 0.47 -0.00 0.00 0.00 177.39 177.67 2dcr n ASP 68 N -1.56 0.49 -1.63 1.45 8.00 -1.26 -4.94 116.55 117.09 2dcr n ASP 68 Ca 0.00 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 2dcr n ASP 68 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2dcr n ASP 68 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2dcr n ASN 69 N -3.22 -0.15 -3.79 -2.24 5.15 -1.26 -5.12 115.26 104.62 2dcr n ASN 69 Ca 0.00 -2.04 -0.16 0.00 -0.60 0.00 0.00 54.58 51.78 2dcr n ASN 69 Cb 0.00 0.08 -0.09 0.00 -0.53 0.00 0.00 39.78 39.24 2dcr n ASN 69 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dcr s LEU 70 N -1.09 1.47 -0.07 1.20 1.43 -1.26 -4.65 118.68 115.70 2dcr s LEU 70 Ca 0.15 -1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 51.66 2dcr s LEU 70 Cb 0.23 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.93 2dcr s LEU 70 CO -0.08 -0.95 -0.00 -0.31 0.23 0.00 0.00 176.35 175.24 2dcr s TYR 71 N -3.79 0.66 -0.00 0.29 2.02 -1.09 -3.09 117.35 112.35 2dcr s TYR 71 Ca 0.40 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.93 2dcr s TYR 71 Cb 0.05 -0.78 -0.00 0.00 -0.40 0.00 0.00 41.96 40.83 2dcr s TYR 71 CO 0.20 -0.31 0.02 -0.98 -1.57 0.00 0.00 175.55 172.90 2dcr s ARG 72 N 1.88 0.12 0.00 -0.62 1.04 -1.26 -2.38 118.95 117.73 2dcr s ARG 72 Ca 0.04 -0.14 0.00 0.00 -1.04 0.00 0.00 55.73 54.58 2dcr s ARG 72 Cb -0.12 0.05 0.00 0.00 -2.04 0.00 0.00 34.95 32.83 2dcr s ARG 72 CO -0.05 -0.02 0.00 -0.11 -0.04 0.00 0.00 175.30 175.08 2dcr n LEU 73 N 2.63 0.13 0.10 -1.89 7.94 -1.26 -4.69 117.00 119.96 2dcr n LEU 73 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2dcr n LEU 73 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2dcr n LEU 73 CO 0.24 0.02 0.00 1.21 -1.11 0.00 0.00 177.39 177.75 2dcr n GLU 74 N -1.06 0.00 -0.06 1.96 4.07 -1.26 -4.76 120.64 119.53 2dcr n GLU 74 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2dcr n GLU 74 Cb 0.05 -0.18 0.00 0.00 -0.06 0.00 0.00 31.44 31.25 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 2.28 -0.68 3.55 8.31 0.00 -1.26 -5.07 105.19 112.33 2dcr n GLY 75 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.65 -0.31 0.17 1.61 -1.05 -1.26 -4.85 118.70 111.37 2dcr s GLU 76 Ca 0.00 1.03 0.03 0.00 -0.15 0.00 0.00 54.97 55.89 2dcr s GLU 76 Cb 0.00 -1.61 -0.03 0.00 -0.44 0.00 0.00 34.13 32.04 2dcr s GLU 76 CO 0.00 -3.37 0.27 0.20 0.95 0.00 0.00 175.26 173.31 2dcr s GLY 77 N -2.60 1.62 0.14 -3.83 0.00 -1.26 -4.69 107.32 96.69 2dcr s GLY 77 Ca 0.68 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 44.34 2dcr s GLY 77 CO 0.62 -1.11 -0.11 -1.36 0.00 0.00 0.00 173.10 171.14 2dcr s PHE 78 N -1.80 1.29 -0.70 1.90 0.40 -1.00 -4.85 117.98 113.22 2dcr s PHE 78 Ca 0.34 -0.70 0.24 0.00 -0.60 0.00 0.00 56.93 56.21 2dcr s PHE 78 Cb -0.10 -0.66 0.91 0.00 0.51 0.00 0.00 43.02 43.67 2dcr s PHE 78 CO 0.28 0.10 1.73 -0.35 0.70 0.00 0.00 175.22 177.68 2dcr n PRO 79 N 0.01 0.17 -4.21 0.24 -0.04 -1.26 -2.66 135.00 127.25 2dcr n PRO 79 Ca -0.12 0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 2dcr n PRO 79 Cb 0.60 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.04 1.39 0.10 3.54 0.01 -1.26 -4.93 113.70 108.51 2dcr s SER 80 Ca 0.08 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.63 2dcr s SER 80 Cb 0.12 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.21 2dcr s SER 80 CO 0.47 -0.06 1.66 0.40 0.41 0.00 0.00 173.24 176.12 2dcr h ILE 81 N 4.47 1.13 -0.16 1.44 2.04 -1.96 -2.98 117.51 121.49 2dcr h ILE 81 Ca -0.38 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2dcr h ILE 81 Cb 1.19 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2dcr h ILE 81 CO 0.42 0.13 0.01 1.55 0.00 0.00 0.00 178.15 180.26 2dcr h PRO 82 N 0.16 0.22 -0.63 2.37 0.13 -1.91 -1.29 132.00 131.04 2dcr h PRO 82 Ca 0.06 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.09 2dcr h PRO 82 Cb 0.13 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 2dcr h PRO 82 CO -0.01 0.24 0.10 -0.07 -0.23 0.00 0.00 178.00 178.03 2dcr h LEU 83 N 0.22 1.00 -0.37 1.56 3.38 -1.69 -2.76 115.31 116.66 2dcr h LEU 83 Ca 0.05 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 2dcr h LEU 83 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dcr h LEU 83 CO 0.00 1.01 -0.09 0.25 0.09 0.00 0.00 178.44 179.70 2dcr h LEU 84 N 0.96 0.73 -0.91 1.67 7.12 -1.11 -2.88 115.31 120.89 2dcr h LEU 84 Ca 0.19 -0.36 0.15 0.00 0.13 0.00 0.00 57.88 57.98 2dcr h LEU 84 Cb 0.44 -0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 40.27 2dcr h LEU 84 CO 0.01 0.92 0.52 0.40 -0.13 0.00 0.00 178.44 180.16 2dcr h ILE 85 N 0.52 0.78 -0.52 4.05 1.08 -1.25 -1.91 117.51 120.26 2dcr h ILE 85 Ca 0.09 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 2dcr h ILE 85 Cb 0.60 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2dcr h ILE 85 CO 0.04 0.14 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.82 2dcr h ASP 86 N 0.75 0.92 0.22 1.72 3.58 -1.27 0.31 116.42 122.66 2dcr h ASP 86 Ca 0.49 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2dcr h ASP 86 Cb 0.64 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2dcr h ASP 86 CO -0.33 1.03 0.00 1.57 -2.88 0.00 0.00 179.24 178.62 2dcr n HIS 87 N -4.26 0.00 -0.11 0.28 -0.00 -0.78 -0.49 115.22 109.85 2dcr n HIS 87 Ca 0.01 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.04 2dcr n HIS 87 Cb 0.35 -0.17 -0.13 0.00 -0.12 0.00 0.00 29.99 29.92 2dcr n HIS 87 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dcr n LEU 88 N -1.17 1.96 0.08 0.27 4.77 -0.69 -4.24 117.00 117.98 2dcr n LEU 88 Ca 0.12 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 2dcr n LEU 88 Cb 0.12 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 2dcr n LEU 88 CO 0.14 0.78 0.18 0.25 -1.33 0.00 0.00 177.39 177.41 2dcr h LEU 89 N 0.00 0.00 0.00 2.23 6.46 0.22 0.23 115.31 124.46 2dcr h LEU 89 Ca -0.56 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.00 2dcr h LEU 89 Cb 2.02 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.92 2dcr h LEU 89 CO -0.04 0.81 -0.95 -1.28 -0.62 0.00 0.00 178.44 176.36 2dcr h SER 90 N 0.00 0.00 0.03 1.25 0.87 -1.01 -3.38 113.55 111.31 2dcr h SER 90 Ca -0.04 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.15 2dcr h SER 90 Cb 1.65 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.54 2dcr h SER 90 CO 0.10 0.93 -2.37 0.35 -0.53 0.00 0.00 176.83 175.31 2dcr n THR 91 N -3.32 1.47 -2.86 2.23 -2.24 -1.16 -5.00 114.28 103.40 2dcr n THR 91 Ca -0.00 -0.71 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 2dcr n THR 91 Cb 0.92 -1.01 0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.04 -3.54 -0.74 -0.78 1.13 0.82 -5.04 117.38 106.19 2dcr n GLN 92 Ca -0.38 0.53 -0.30 0.00 -1.94 0.00 0.00 57.00 54.90 2dcr n GLN 92 Cb 1.07 -4.60 0.18 0.00 0.11 0.00 0.00 30.24 27.00 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 -5.41 0.67 0.55 -1.09 -0.21 -1.24 -4.86 119.66 108.08 2dcr s GLN 93 Ca 0.24 1.31 -0.15 0.00 0.02 0.00 0.00 55.36 56.78 2dcr s GLN 93 Cb -0.10 -1.70 -0.06 0.00 1.00 0.00 0.00 33.01 32.14 2dcr s GLN 93 CO 0.29 -2.79 1.01 -1.25 -2.12 0.00 0.00 175.29 170.43 2dcr s PRO 94 N -4.64 3.72 0.00 2.91 0.04 -1.26 -4.26 135.00 131.51 2dcr s PRO 94 Ca 0.66 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.61 2dcr s PRO 94 Cb -0.23 -2.10 -0.30 0.00 0.04 0.00 0.00 34.50 31.92 2dcr s PRO 94 CO 0.59 -0.46 0.87 -0.07 0.04 0.00 0.00 177.00 177.97 2dcr h LEU 95 N 0.56 0.51 -7.14 -3.56 3.38 -1.13 -3.42 115.31 104.51 2dcr h LEU 95 Ca -0.46 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 56.76 2dcr h LEU 95 Cb 1.19 -0.17 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 2dcr h LEU 95 CO 0.60 1.55 0.05 0.28 0.09 0.00 0.00 178.44 181.02 2dcr s THR 96 N -2.61 0.01 -1.02 0.22 -1.32 -1.26 -4.69 115.64 104.97 2dcr s THR 96 Ca -0.10 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2dcr s THR 96 Cb 0.06 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 2dcr s THR 96 CO 0.87 -0.06 0.86 1.17 -2.21 0.00 0.00 174.62 175.25 2dcr n LYS 97 N 1.35 0.00 0.08 7.08 3.00 -1.26 -0.78 118.16 127.63 2dcr n LYS 97 Ca -0.19 0.37 0.12 0.00 -0.00 0.00 0.00 58.31 58.61 2dcr n LYS 97 Cb 0.57 -1.55 0.17 0.00 0.00 0.00 0.00 35.03 34.21 2dcr n LYS 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2dcr h LYS 98 N 0.00 0.00 0.00 1.64 1.79 -2.03 -3.42 116.57 114.55 2dcr h LYS 98 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2dcr h LYS 98 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2dcr h LYS 98 CO 0.00 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.24 2dcr n SER 99 N -2.25 0.00 0.00 0.86 3.41 -0.77 -5.05 113.62 109.81 2dcr n SER 99 Ca 0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2dcr n SER 99 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2dcr n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dcr n GLY 100 N 0.00 0.16 2.15 5.00 0.00 0.04 -4.93 105.19 107.61 2dcr n GLY 100 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.04 -4.56 1.61 0.31 -1.26 -4.42 118.33 108.04 2dcr n VAL 101 Ca 0.00 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.10 2dcr n VAL 101 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 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 -0.02 1.01 0.44 2.52 -7.23 -1.26 -0.71 120.40 115.15 2dcr s VAL 102 Ca 0.55 -0.52 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 2dcr s VAL 102 Cb -0.77 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2dcr s VAL 102 CO 0.35 0.29 1.40 0.18 -0.31 0.00 0.00 175.10 177.01 2dcr n LEU 103 N 2.99 4.84 0.00 1.32 4.77 -1.26 -4.76 117.00 124.90 2dcr n LEU 103 Ca -0.16 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2dcr n LEU 103 Cb 0.55 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2dcr n LEU 103 CO 0.25 -0.25 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 2dcr n HIS 104 N -0.17 0.00 -3.86 -1.77 8.25 -1.12 -4.79 115.22 111.77 2dcr n HIS 104 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 2dcr n HIS 104 Cb 0.41 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 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 0.34 -0.24 -0.41 6.06 -0.12 -4.94 118.95 118.64 2dcr s ARG 105 Ca 0.00 -0.18 -0.03 0.00 -2.50 0.00 0.00 55.73 53.02 2dcr s ARG 105 Cb 0.00 0.14 0.01 0.00 0.06 0.00 0.00 34.95 35.16 2dcr s ARG 105 CO 0.00 -0.07 -0.04 0.00 -2.50 0.00 0.00 175.30 172.69 2dcr s ALA 106 N -0.80 2.78 -0.05 6.12 0.00 -1.26 -0.48 121.76 128.07 2dcr s ALA 106 Ca -0.09 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 2dcr s ALA 106 Cb -0.05 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 2dcr s ALA 106 CO 0.01 -0.65 1.75 0.08 0.00 0.00 0.00 175.76 176.95 2dcr s VAL 107 N 1.41 3.43 -0.50 0.00 1.01 -0.88 -4.86 120.40 120.02 2dcr s VAL 107 Ca 0.03 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 2dcr s VAL 107 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2dcr s VAL 107 CO -0.03 -0.06 1.03 -2.16 0.00 0.00 0.00 175.10 173.87 2dcr s PRO 108 N 4.28 3.55 0.08 2.72 0.04 -1.26 -3.21 135.00 141.20 2dcr s PRO 108 Ca 0.78 0.22 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 2dcr s PRO 108 Cb -0.35 -3.95 -0.24 0.00 0.04 0.00 0.00 34.50 30.00 2dcr s PRO 108 CO 0.33 -1.38 1.17 1.03 0.04 0.00 0.00 177.00 178.19 2dcr h SER 109 N 9.23 0.54 -5.00 6.66 0.87 -1.27 -3.49 113.55 121.09 2dcr h SER 109 Ca -0.24 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2dcr h SER 109 Cb 1.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2dcr h SER 109 CO 1.09 1.38 0.00 0.61 -0.53 0.00 0.00 176.83 179.38 2dcr n GLY 110 N 1.38 1.52 0.00 5.77 0.00 -1.25 -4.88 105.19 107.73 2dcr n GLY 110 Ca -0.09 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 1.64 0.73 -4.18 1.61 -0.04 -1.26 -4.71 135.00 128.79 2dcr n PRO 111 Ca 0.00 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2dcr n PRO 111 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.17 1.39 0.24 3.54 0.15 -1.26 -4.74 113.70 110.84 2dcr s SER 112 Ca 0.37 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 56.12 2dcr s SER 112 Cb 0.19 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2dcr s SER 112 CO 0.35 -0.33 0.22 -0.55 1.20 0.00 0.00 173.24 174.13 2dcr s SER 113 N -2.69 0.40 0.00 5.45 0.15 -1.26 -5.08 113.70 110.67 2dcr s SER 113 Ca 0.08 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2dcr s SER 113 Cb -0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dcr s SER 113 CO -0.01 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.10