#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s ARG 2 N 0.00 2.76 0.34 1.61 0.52 -0.55 -5.05 118.95 118.58 3cd6 s ARG 2 Ca 0.00 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 53.94 3cd6 s ARG 2 Cb 0.00 -2.54 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 3cd6 s ARG 2 CO 0.00 0.46 1.41 1.03 0.02 0.00 0.00 175.30 178.22 3cd6 s ARG 3 N -3.23 4.23 0.82 3.54 1.81 -1.26 -4.71 118.95 120.15 3cd6 s ARG 3 Ca 0.31 2.39 -0.12 0.00 -1.72 0.00 0.00 55.73 56.59 3cd6 s ARG 3 Cb -0.09 -3.03 0.09 0.00 -0.45 0.00 0.00 34.95 31.47 3cd6 s ARG 3 CO 0.22 -0.38 1.12 0.96 -0.68 0.00 0.00 175.30 176.55 3cd6 s ILE 4 N -0.97 2.61 0.37 1.52 -4.36 -1.26 -4.90 121.20 114.21 3cd6 s ILE 4 Ca 0.52 0.20 0.08 0.00 -0.26 0.00 0.00 60.65 61.19 3cd6 s ILE 4 Cb -0.43 -3.02 0.30 0.00 1.25 0.00 0.00 42.46 40.57 3cd6 s ILE 4 CO 0.56 -0.26 1.95 -0.61 0.24 0.00 0.00 174.94 176.82 3cd6 h GLN 5 N -1.16 0.67 0.00 0.37 4.15 -1.95 -1.72 115.11 115.47 3cd6 h GLN 5 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3cd6 h GLN 5 Cb 1.30 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3cd6 h GLN 5 CO 0.62 0.45 0.00 0.78 -1.93 0.00 0.00 178.83 178.74 3cd6 h GLY 6 N 0.69 0.00 1.14 2.39 0.00 -1.99 -1.50 103.07 103.81 3cd6 h GLY 6 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.38 3cd6 h GLY 6 CO -0.12 0.00 -1.60 1.46 0.00 0.00 0.00 176.54 176.29 3cd6 h GLN 7 N 0.00 0.02 0.00 4.80 4.20 -1.68 -3.32 115.11 119.14 3cd6 h GLN 7 Ca 0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3cd6 h GLN 7 Cb 0.21 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3cd6 h GLN 7 CO 0.00 0.63 -0.52 0.00 -0.67 0.00 0.00 178.83 178.26 3cd6 h ARG 8 N 0.01 0.00 0.01 1.46 -0.00 -1.14 -3.25 114.38 111.47 3cd6 h ARG 8 Ca -0.24 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.26 3cd6 h ARG 8 Cb 1.98 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.91 3cd6 h ARG 8 CO 0.09 0.52 -0.17 0.00 0.00 0.00 0.00 179.97 180.41 3cd6 h ARG 9 N 0.00 -0.28 -0.05 0.04 3.08 -1.52 -2.89 114.38 112.77 3cd6 h ARG 9 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3cd6 h ARG 9 Cb 0.98 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3cd6 h ARG 9 CO 0.07 -0.19 0.11 0.78 -1.07 0.00 0.00 179.97 179.67 3cd6 h GLY 10 N -0.29 0.00 2.00 0.04 0.00 -1.68 -1.35 103.07 101.79 3cd6 h GLY 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3cd6 h GLY 10 CO -0.16 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.59 3cd6 h ARG 11 N 0.00 0.00 -5.18 4.80 3.08 -1.65 -3.47 114.38 111.97 3cd6 h ARG 11 Ca 0.02 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 3cd6 h ARG 11 Cb 0.24 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.41 3cd6 h ARG 11 CO -0.00 0.00 -0.60 0.41 -1.07 0.00 0.00 179.97 178.71 3cd6 n GLY 12 N -0.23 -0.33 3.86 0.04 0.00 -0.51 -5.03 105.19 102.99 3cd6 n GLY 12 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3cd6 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cd6 s THR 13 N -3.28 1.98 0.27 2.61 -4.23 -1.26 -4.76 115.64 106.96 3cd6 s THR 13 Ca 0.43 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 3cd6 s THR 13 Cb -0.19 -2.90 0.27 0.00 1.34 0.00 0.00 72.50 71.02 3cd6 s THR 13 CO 0.63 0.00 1.68 -1.28 -0.54 0.00 0.00 174.62 175.11 3cd6 h SER 14 N -1.42 0.13 0.10 3.99 0.87 -1.95 -0.94 113.55 114.33 3cd6 h SER 14 Ca -0.47 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3cd6 h SER 14 Cb 1.31 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.45 3cd6 h SER 14 CO 0.56 -0.04 -0.08 0.74 -0.53 0.00 0.00 176.83 177.49 3cd6 h THR 15 N 0.31 0.93 -0.01 2.23 2.02 -2.01 -2.81 112.91 113.58 3cd6 h THR 15 Ca 0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3cd6 h THR 15 Cb 0.89 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3cd6 h THR 15 CO -0.54 0.08 -0.58 0.49 0.37 0.00 0.00 175.52 175.34 3cd6 n PHE 16 N -4.26 0.00 -2.26 3.16 3.01 -0.43 -4.34 117.46 112.33 3cd6 n PHE 16 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 3cd6 n PHE 16 Cb 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.64 3cd6 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3cd6 s ARG 17 N -2.35 3.44 0.03 -1.08 0.52 -0.76 -4.53 118.95 114.23 3cd6 s ARG 17 Ca 0.11 0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.57 3cd6 s ARG 17 Cb 0.14 -2.22 -0.06 0.00 0.52 0.00 0.00 34.95 33.33 3cd6 s ARG 17 CO 0.58 -0.46 0.47 0.00 0.02 0.00 0.00 175.30 175.91 3cd6 s ALA 18 N -2.98 3.65 -1.08 2.13 0.00 -1.26 -4.52 121.76 117.70 3cd6 s ALA 18 Ca 0.52 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3cd6 s ALA 18 Cb -0.11 -2.49 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 3cd6 s ALA 18 CO 0.49 0.45 2.19 -0.35 0.00 0.00 0.00 175.76 178.54 3cd6 n PRO 19 N 1.75 2.27 -0.30 0.00 -0.04 -1.26 -4.72 135.00 132.70 3cd6 n PRO 19 Ca -0.12 -1.94 0.20 0.00 -0.04 0.00 0.00 63.50 61.59 3cd6 n PRO 19 Cb 0.52 -2.84 0.47 0.00 -0.04 0.00 0.00 33.50 31.61 3cd6 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cd6 h SER 20 N 6.62 0.50 0.36 3.54 0.02 -1.96 -0.10 113.55 122.53 3cd6 h SER 20 Ca 0.54 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3cd6 h SER 20 Cb 0.46 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3cd6 h SER 20 CO 1.77 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 177.61 3cd6 n HIS 21 N -4.61 0.44 0.66 3.45 1.44 -1.26 -1.01 115.22 114.32 3cd6 n HIS 21 Ca 0.23 0.19 0.09 0.00 -2.01 0.00 0.00 57.72 56.22 3cd6 n HIS 21 Cb 0.76 -0.81 0.08 0.00 0.12 0.00 0.00 29.99 30.13 3cd6 n HIS 21 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3cd6 n ARG 22 N -1.92 1.43 -3.28 -1.40 1.74 -0.05 -4.97 116.66 108.21 3cd6 n ARG 22 Ca 0.01 -1.56 -0.38 0.00 -0.77 0.00 0.00 57.85 55.15 3cd6 n ARG 22 Cb 0.12 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 3cd6 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cd6 s TYR 23 N -1.40 3.58 0.00 -1.55 4.12 -0.18 -4.79 117.35 117.13 3cd6 s TYR 23 Ca 0.21 1.01 -0.06 0.00 0.02 0.00 0.00 57.07 58.24 3cd6 s TYR 23 Cb 0.14 -2.56 -0.04 0.00 -1.52 0.00 0.00 41.96 37.98 3cd6 s TYR 23 CO 0.21 0.25 0.77 0.87 0.02 0.00 0.00 175.55 177.68 3cd6 h LYS 24 N 6.25 -0.22 -3.60 -0.62 1.57 -1.93 -3.49 116.57 114.53 3cd6 h LYS 24 Ca -0.43 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3cd6 h LYS 24 Cb 1.19 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 3cd6 h LYS 24 CO 0.73 -0.15 -0.45 0.00 -0.57 0.00 0.00 179.45 179.01 3cd6 s ALA 25 N -3.47 -0.28 -1.00 3.86 0.00 -1.26 -5.07 121.76 114.53 3cd6 s ALA 25 Ca -0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 3cd6 s ALA 25 Cb 0.00 0.22 0.21 0.00 0.00 0.00 0.00 23.12 23.55 3cd6 s ALA 25 CO 0.10 -0.30 1.06 0.34 0.00 0.00 0.00 175.76 176.96 3cd6 s ASP 26 N -1.88 6.96 -0.82 0.00 3.68 -1.26 -4.98 116.67 118.37 3cd6 s ASP 26 Ca -0.08 -2.88 -0.26 0.00 2.13 0.00 0.00 52.55 51.46 3cd6 s ASP 26 Cb -0.03 -2.28 -0.15 0.00 -1.45 0.00 0.00 42.92 39.01 3cd6 s ASP 26 CO -0.02 -0.62 2.39 0.18 0.13 0.00 0.00 175.17 177.23 3cd6 n LEU 27 N 4.42 1.74 -4.49 -1.34 4.77 -1.26 -4.95 117.00 115.88 3cd6 n LEU 27 Ca 0.23 -1.58 -0.28 0.00 -0.03 0.00 0.00 56.01 54.35 3cd6 n LEU 27 Cb 0.44 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.76 3cd6 n LEU 27 CO 0.46 -2.73 -0.48 -1.61 -1.33 0.00 0.00 177.39 171.70 3cd6 s GLU 28 N 8.88 1.78 0.60 3.23 2.02 -1.26 -4.82 118.70 129.13 3cd6 s GLU 28 Ca 0.92 -1.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 3cd6 s GLU 28 Cb -0.13 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 3cd6 s GLU 28 CO 0.09 0.45 1.20 -1.01 0.02 0.00 0.00 175.26 176.01 3cd6 s HIS 29 N -1.40 2.40 0.32 1.61 3.76 -0.93 -4.99 115.29 116.06 3cd6 s HIS 29 Ca 0.20 1.52 -0.28 0.00 -0.15 0.00 0.00 55.06 56.36 3cd6 s HIS 29 Cb -0.09 -3.46 -0.09 0.00 1.11 0.00 0.00 32.58 30.04 3cd6 s HIS 29 CO 0.11 -2.18 1.13 0.50 -0.85 0.00 0.00 174.74 173.45 3cd6 s ARG 30 N -3.39 4.44 -0.53 1.40 3.52 -1.26 -4.87 118.95 118.26 3cd6 s ARG 30 Ca 0.77 1.81 -0.20 0.00 -0.13 0.00 0.00 55.73 57.98 3cd6 s ARG 30 Cb -0.29 -2.99 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 3cd6 s ARG 30 CO 0.34 0.02 0.69 0.15 -0.81 0.00 0.00 175.30 175.69 3cd6 s LYS 31 N -1.79 3.14 -0.11 5.12 1.02 -1.26 -5.04 119.74 120.82 3cd6 s LYS 31 Ca 0.49 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 3cd6 s LYS 31 Cb -0.31 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 3cd6 s LYS 31 CO 0.40 -1.32 0.00 0.08 -0.92 0.00 0.00 175.35 173.59 3cd6 s VAL 32 N 2.87 4.32 0.03 3.17 1.01 -1.26 -5.04 120.40 125.51 3cd6 s VAL 32 Ca 0.17 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3cd6 s VAL 32 Cb -0.19 -2.85 -0.17 0.00 0.00 0.00 0.00 36.38 33.17 3cd6 s VAL 32 CO 0.12 0.57 1.34 -0.33 0.00 0.00 0.00 175.10 176.80 3cd6 h GLU 33 N 5.57 -0.84 0.00 2.72 3.07 -2.03 -3.49 114.58 119.58 3cd6 h GLU 33 Ca -0.46 0.06 0.06 0.00 -0.50 0.00 0.00 59.36 58.51 3cd6 h GLU 33 Cb 1.19 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 3cd6 h GLU 33 CO 0.58 -0.52 0.17 -3.47 -1.40 0.00 0.00 179.01 174.37 3cd6 n ASP 34 N -5.40 -0.33 0.00 1.42 -0.08 -1.26 -5.13 116.55 105.77 3cd6 n ASP 34 Ca -0.12 -1.13 0.00 0.00 -1.51 0.00 0.00 54.79 52.02 3cd6 n ASP 34 Cb 0.37 0.53 0.00 0.00 2.34 0.00 0.00 41.12 44.36 3cd6 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cd6 n GLY 35 N -0.19 0.35 0.00 0.27 0.00 -1.26 -4.82 105.19 99.54 3cd6 n GLY 35 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3cd6 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cd6 n ASP 36 N 3.12 0.00 -0.35 1.61 2.03 -1.26 -3.34 116.55 118.35 3cd6 n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3cd6 n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3cd6 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3cd6 n VAL 37 N -0.13 0.00 -3.78 5.18 0.24 -1.26 -4.59 118.33 113.99 3cd6 n VAL 37 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 3cd6 n VAL 37 Cb 0.00 -0.15 -0.13 0.00 -1.47 0.00 0.00 33.84 32.10 3cd6 n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3cd6 s ILE 38 N -0.31 3.92 0.09 1.34 -1.09 -1.26 -4.94 121.20 118.95 3cd6 s ILE 38 Ca 0.00 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 57.74 3cd6 s ILE 38 Cb 0.00 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 3cd6 s ILE 38 CO 0.00 0.14 0.11 0.00 -1.23 0.00 0.00 174.94 173.96 3cd6 s ALA 39 N 1.51 0.18 0.13 9.38 0.00 -1.26 -2.04 121.76 129.66 3cd6 s ALA 39 Ca 0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3cd6 s ALA 39 Cb -0.17 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3cd6 s ALA 39 CO 0.02 -0.48 0.38 0.20 0.00 0.00 0.00 175.76 175.89 3cd6 s GLY 40 N -2.92 -0.15 -0.12 0.00 0.00 -0.25 -2.03 107.32 101.86 3cd6 s GLY 40 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3cd6 s GLY 40 CO -0.08 -0.40 -0.02 -1.59 0.00 0.00 0.00 173.10 171.01 3cd6 s THR 41 N -3.83 4.06 -0.39 0.90 2.01 -0.30 -1.24 115.64 116.84 3cd6 s THR 41 Ca 0.05 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3cd6 s THR 41 Cb 0.02 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.80 3cd6 s THR 41 CO -0.10 0.54 1.23 -0.69 -0.69 0.00 0.00 174.62 174.92 3cd6 s VAL 42 N -0.19 4.17 -0.17 3.82 1.01 -0.89 -1.59 120.40 126.57 3cd6 s VAL 42 Ca 0.04 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.05 3cd6 s VAL 42 Cb -0.13 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.66 3cd6 s VAL 42 CO 0.02 -0.72 0.47 0.58 0.00 0.00 0.00 175.10 175.44 3cd6 h VAL 43 N 6.13 1.24 -4.15 2.92 2.07 -1.40 0.23 116.25 123.29 3cd6 h VAL 43 Ca -0.24 -2.28 -0.12 0.00 0.82 0.00 0.00 66.70 64.88 3cd6 h VAL 43 Cb 1.08 2.71 -0.15 0.00 -1.52 0.00 0.00 31.29 33.41 3cd6 h VAL 43 CO 1.08 0.48 -0.58 -0.62 0.02 0.00 0.00 177.57 177.95 3cd6 s ASP 44 N -6.67 0.35 -0.28 0.57 2.15 -1.17 -4.81 116.67 106.79 3cd6 s ASP 44 Ca -0.24 -0.95 0.03 0.00 0.43 0.00 0.00 52.55 51.82 3cd6 s ASP 44 Cb 0.03 0.26 0.07 0.00 -0.30 0.00 0.00 42.92 42.98 3cd6 s ASP 44 CO 0.66 -0.67 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.31 3cd6 s ILE 45 N -3.93 2.06 0.31 4.11 -1.09 -1.26 -0.20 121.20 121.20 3cd6 s ILE 45 Ca 0.10 -1.79 0.08 0.00 -2.23 0.00 0.00 60.65 56.81 3cd6 s ILE 45 Cb 0.07 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 3cd6 s ILE 45 CO -0.07 -0.24 0.21 -1.61 -1.23 0.00 0.00 174.94 171.99 3cd6 s GLU 46 N 1.10 2.65 -0.01 2.79 2.02 0.49 -4.95 118.70 122.79 3cd6 s GLU 46 Ca -0.02 -1.31 -0.17 0.00 0.02 0.00 0.00 54.97 53.50 3cd6 s GLU 46 Cb -0.19 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 3cd6 s GLU 46 CO -0.07 0.19 0.46 -1.58 0.02 0.00 0.00 175.26 174.28 3cd6 s HIS 47 N -2.30 3.69 -0.24 1.61 5.65 -1.26 -0.10 115.29 122.34 3cd6 s HIS 47 Ca 0.38 1.02 -0.04 0.00 0.25 0.00 0.00 55.06 56.66 3cd6 s HIS 47 Cb -0.06 -2.40 -0.01 0.00 -1.18 0.00 0.00 32.58 28.94 3cd6 s HIS 47 CO 0.25 0.51 -0.01 0.34 -0.65 0.00 0.00 174.74 175.18 3cd6 s ASP 48 N -0.65 4.52 0.46 9.88 2.15 -1.23 -4.86 116.67 126.93 3cd6 s ASP 48 Ca 0.25 -0.45 0.31 0.00 0.43 0.00 0.00 52.55 53.09 3cd6 s ASP 48 Cb -0.17 -1.77 1.53 0.00 -0.30 0.00 0.00 42.92 42.21 3cd6 s ASP 48 CO 0.14 -0.05 1.95 -0.65 -0.17 0.00 0.00 175.17 176.38 3cd6 h PRO 49 N 8.14 0.00 0.15 4.34 0.11 -1.91 -2.55 132.00 140.28 3cd6 h PRO 49 Ca -0.39 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.43 3cd6 h PRO 49 Cb 1.15 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.28 3cd6 h PRO 49 CO 0.60 0.00 -1.27 0.00 -0.21 0.00 0.00 178.00 177.12 3cd6 h ALA 50 N 2.06 0.04 0.00 -0.75 0.00 -1.91 -3.40 119.26 115.29 3cd6 h ALA 50 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3cd6 h ALA 50 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3cd6 h ALA 50 CO 0.00 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.60 3cd6 n ARG 51 N -3.67 -0.74 0.00 0.00 1.74 -1.20 -5.01 116.66 107.77 3cd6 n ARG 51 Ca -0.12 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 3cd6 n ARG 51 Cb 1.01 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 3cd6 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3cd6 n SER 52 N -0.02 0.00 -4.88 0.55 7.64 -0.96 -4.73 113.62 111.21 3cd6 n SER 52 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 3cd6 n SER 52 Cb 0.04 -0.86 -0.04 0.00 -1.01 0.00 0.00 64.21 62.33 3cd6 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cd6 s ALA 53 N -1.28 3.52 0.52 -0.43 0.00 -1.26 -4.87 121.76 117.96 3cd6 s ALA 53 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3cd6 s ALA 53 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 3cd6 s ALA 53 CO 0.00 0.32 1.05 -1.25 0.00 0.00 0.00 175.76 175.88 3cd6 s PRO 54 N -3.23 3.66 -0.02 0.00 0.04 -1.26 -3.57 135.00 130.62 3cd6 s PRO 54 Ca 0.48 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.92 3cd6 s PRO 54 Cb -0.11 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3cd6 s PRO 54 CO 0.25 -0.55 -0.25 0.54 0.04 0.00 0.00 177.00 177.03 3cd6 s VAL 55 N -2.10 1.99 -0.19 -0.36 0.11 0.86 -3.59 120.40 117.11 3cd6 s VAL 55 Ca 0.66 -1.09 -0.09 0.00 -2.93 0.00 0.00 61.98 58.54 3cd6 s VAL 55 Cb -0.16 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 3cd6 s VAL 55 CO 0.25 0.56 0.11 0.00 -3.33 0.00 0.00 175.10 172.68 3cd6 s ALA 56 N -0.60 3.60 -0.29 1.54 0.00 -0.09 -0.38 121.76 125.55 3cd6 s ALA 56 Ca 0.10 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 3cd6 s ALA 56 Cb -0.10 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 3cd6 s ALA 56 CO -0.01 0.17 0.75 0.00 0.00 0.00 0.00 175.76 176.67 3cd6 s ALA 57 N 0.35 3.57 -0.03 0.00 0.00 0.72 -0.56 121.76 125.81 3cd6 s ALA 57 Ca 0.06 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.69 3cd6 s ALA 57 Cb -0.11 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3cd6 s ALA 57 CO -0.01 -1.07 -0.25 0.08 0.00 0.00 0.00 175.76 174.51 3cd6 s VAL 58 N 2.81 2.02 -0.17 0.00 1.01 -1.07 -0.97 120.40 124.03 3cd6 s VAL 58 Ca 0.31 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3cd6 s VAL 58 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3cd6 s VAL 58 CO 0.11 0.57 -0.16 -0.70 0.00 0.00 0.00 175.10 174.91 3cd6 s GLU 59 N -0.53 3.14 0.77 2.72 2.12 -0.62 -2.49 118.70 123.82 3cd6 s GLU 59 Ca 0.08 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 3cd6 s GLU 59 Cb -0.10 -2.62 0.12 0.00 0.26 0.00 0.00 34.13 31.79 3cd6 s GLU 59 CO -0.00 -0.07 1.08 -0.06 -0.54 0.00 0.00 175.26 175.67 3cd6 s PHE 60 N 1.00 2.02 0.18 5.30 0.40 -0.68 -1.15 117.98 125.06 3cd6 s PHE 60 Ca -0.02 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 3cd6 s PHE 60 Cb -0.15 -3.35 0.07 0.00 0.51 0.00 0.00 43.02 40.11 3cd6 s PHE 60 CO -0.04 -1.84 1.65 0.93 0.70 0.00 0.00 175.22 176.62 3cd6 h GLU 61 N -0.82 1.09 0.00 0.44 5.08 -1.75 -3.01 114.58 115.61 3cd6 h GLU 61 Ca -0.41 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 3cd6 h GLU 61 Cb 1.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3cd6 h GLU 61 CO 0.46 1.05 0.00 -0.40 -1.00 0.00 0.00 179.01 179.12 3cd6 n ASP 62 N -4.18 0.00 0.00 1.42 5.75 -1.26 -4.88 116.55 113.40 3cd6 n ASP 62 Ca 0.03 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 3cd6 n ASP 62 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3cd6 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cd6 n GLY 63 N 0.44 0.71 3.78 6.12 0.00 -1.14 -5.07 105.19 110.03 3cd6 n GLY 63 Ca 0.13 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3cd6 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cd6 s ASP 64 N -2.00 7.37 -0.39 1.61 1.01 -1.26 -4.88 116.67 118.14 3cd6 s ASP 64 Ca 0.00 1.83 0.03 0.00 0.71 0.00 0.00 52.55 55.12 3cd6 s ASP 64 Cb 0.00 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.46 3cd6 s ASP 64 CO 0.00 -0.02 0.12 -0.60 0.21 0.00 0.00 175.17 174.88 3cd6 s ARG 65 N -1.90 1.48 -0.02 8.23 6.06 -1.26 -1.69 118.95 129.86 3cd6 s ARG 65 Ca 0.48 -1.96 0.04 0.00 -2.50 0.00 0.00 55.73 51.79 3cd6 s ARG 65 Cb -0.20 -3.00 -0.01 0.00 0.06 0.00 0.00 34.95 31.80 3cd6 s ARG 65 CO 0.25 -1.00 -0.15 1.03 -2.50 0.00 0.00 175.30 172.93 3cd6 s ARG 66 N 0.66 1.26 0.11 5.12 0.52 -1.04 -5.03 118.95 120.56 3cd6 s ARG 66 Ca 0.13 -0.53 -0.26 0.00 -0.52 0.00 0.00 55.73 54.54 3cd6 s ARG 66 Cb -0.21 -1.20 -0.07 0.00 0.52 0.00 0.00 34.95 33.99 3cd6 s ARG 66 CO -0.08 0.30 0.82 -0.51 0.02 0.00 0.00 175.30 175.85 3cd6 s LEU 67 N -0.27 4.52 0.16 2.53 1.43 -1.26 -2.60 118.68 123.18 3cd6 s LEU 67 Ca 0.04 1.61 0.07 0.00 -1.03 0.00 0.00 54.13 54.82 3cd6 s LEU 67 Cb -0.07 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3cd6 s LEU 67 CO -0.00 0.07 -0.16 -0.51 0.23 0.00 0.00 176.35 175.98 3cd6 s ILE 68 N -0.47 1.60 -0.34 -0.59 2.07 0.28 -4.73 121.20 119.03 3cd6 s ILE 68 Ca 0.39 -1.91 -0.28 0.00 -1.41 0.00 0.00 60.65 57.44 3cd6 s ILE 68 Cb -0.22 -1.77 -0.02 0.00 0.13 0.00 0.00 42.46 40.58 3cd6 s ILE 68 CO 0.26 -0.42 1.76 -0.22 -1.91 0.00 0.00 174.94 174.40 3cd6 s LEU 69 N -2.73 3.51 -0.11 8.50 2.96 -1.26 -0.91 118.68 128.64 3cd6 s LEU 69 Ca 0.15 1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 55.01 3cd6 s LEU 69 Cb -0.04 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3cd6 s LEU 69 CO 0.05 -1.68 1.54 0.00 -1.32 0.00 0.00 176.35 174.94 3cd6 s ALA 70 N 6.75 3.59 0.83 5.97 0.00 -1.24 -4.85 121.76 132.81 3cd6 s ALA 70 Ca 0.78 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.40 3cd6 s ALA 70 Cb -0.21 -3.73 0.16 0.00 0.00 0.00 0.00 23.12 19.34 3cd6 s ALA 70 CO 0.33 -1.41 1.15 -2.14 0.00 0.00 0.00 175.76 173.70 3cd6 s PRO 71 N 3.97 1.23 0.30 0.00 0.02 -1.26 -1.71 135.00 137.55 3cd6 s PRO 71 Ca 0.68 -0.72 -0.24 0.00 0.02 0.00 0.00 61.00 60.74 3cd6 s PRO 71 Cb -0.29 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 3cd6 s PRO 71 CO 0.25 -1.89 0.88 -2.00 -0.33 0.00 0.00 177.00 173.92 3cd6 s GLU 72 N -5.50 4.48 0.00 5.54 2.12 -0.28 -4.10 118.70 120.95 3cd6 s GLU 72 Ca 0.69 1.19 0.00 0.00 0.36 0.00 0.00 54.97 57.22 3cd6 s GLU 72 Cb -0.05 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.54 3cd6 s GLU 72 CO 0.48 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.91 3cd6 n GLY 73 N 0.56 2.37 2.95 -1.50 0.00 -1.26 -4.90 105.19 103.41 3cd6 n GLY 73 Ca 0.01 -0.63 -0.54 0.00 0.00 0.00 0.00 46.02 44.86 3cd6 n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cd6 n VAL 74 N 0.00 0.00 -4.02 1.61 0.31 -1.26 -4.96 118.33 110.01 3cd6 n VAL 74 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3cd6 n VAL 74 Cb 0.00 -0.45 -0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3cd6 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cd6 n GLY 75 N 6.77 4.18 3.70 2.92 0.00 -1.26 -4.92 105.19 116.58 3cd6 n GLY 75 Ca 0.50 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3cd6 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cd6 s VAL 76 N -1.07 3.36 0.00 1.61 1.01 -1.26 -2.91 120.40 121.14 3cd6 s VAL 76 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3cd6 s VAL 76 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3cd6 s VAL 76 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3cd6 n GLY 77 N 3.67 0.16 3.76 4.51 0.00 0.07 -5.00 105.19 112.36 3cd6 n GLY 77 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3cd6 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cd6 s ASP 78 N -2.30 7.34 -0.19 1.61 1.11 -1.14 -4.76 116.67 118.34 3cd6 s ASP 78 Ca 0.00 2.10 -0.16 0.00 0.18 0.00 0.00 52.55 54.67 3cd6 s ASP 78 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 3cd6 s ASP 78 CO 0.00 -0.08 0.42 -0.70 1.18 0.00 0.00 175.17 175.99 3cd6 s GLU 79 N -1.53 4.20 0.02 8.23 2.12 -1.26 -2.10 118.70 128.38 3cd6 s GLU 79 Ca 0.45 0.25 0.08 0.00 0.36 0.00 0.00 54.97 56.11 3cd6 s GLU 79 Cb -0.28 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3cd6 s GLU 79 CO 0.35 -0.01 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.33 3cd6 s LEU 80 N 1.20 2.35 -0.04 2.70 1.43 -0.37 -4.99 118.68 120.96 3cd6 s LEU 80 Ca 0.20 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 3cd6 s LEU 80 Cb -0.15 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3cd6 s LEU 80 CO 0.08 0.28 -0.24 -1.10 0.23 0.00 0.00 176.35 175.61 3cd6 s GLN 81 N -1.10 2.21 -0.04 1.70 -0.21 -1.26 -1.08 119.66 119.88 3cd6 s GLN 81 Ca 0.12 -0.86 0.05 0.00 0.02 0.00 0.00 55.36 54.70 3cd6 s GLN 81 Cb -0.10 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 3cd6 s GLN 81 CO 0.02 0.43 -0.20 0.08 -2.12 0.00 0.00 175.29 173.50 3cd6 s VAL 82 N -0.31 1.62 0.00 1.09 1.01 -0.86 -2.53 120.40 120.41 3cd6 s VAL 82 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3cd6 s VAL 82 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3cd6 s VAL 82 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3cd6 n GLY 83 N 2.95 3.02 0.31 4.51 0.00 -0.99 -4.19 105.19 110.80 3cd6 n GLY 83 Ca -0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 3cd6 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cd6 h VAL 84 N 1.00 1.24 -0.92 1.61 2.07 -1.86 -2.93 116.25 116.45 3cd6 h VAL 84 Ca 0.00 -0.85 -0.44 0.00 0.82 0.00 0.00 66.70 66.23 3cd6 h VAL 84 Cb 0.00 0.60 -0.26 0.00 -1.52 0.00 0.00 31.29 30.11 3cd6 h VAL 84 CO 0.00 0.32 0.55 -1.20 0.02 0.00 0.00 177.57 177.26 3cd6 n SER 85 N -4.26 3.98 -4.77 0.57 7.64 -1.26 -4.84 113.62 110.68 3cd6 n SER 85 Ca 0.05 -3.52 -0.31 0.00 1.01 0.00 0.00 58.87 56.10 3cd6 n SER 85 Cb 0.23 -0.81 0.09 0.00 -1.01 0.00 0.00 64.21 62.71 3cd6 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cd6 s ALA 86 N -3.23 2.20 0.33 -0.43 0.00 -1.11 -5.02 121.76 114.51 3cd6 s ALA 86 Ca 0.56 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3cd6 s ALA 86 Cb 0.47 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 3cd6 s ALA 86 CO 0.11 -1.78 1.02 -2.00 0.00 0.00 0.00 175.76 173.12 3cd6 s GLU 87 N -4.95 4.47 -1.52 0.00 2.12 -1.26 -4.95 118.70 112.61 3cd6 s GLU 87 Ca 0.61 1.52 -0.10 0.00 0.36 0.00 0.00 54.97 57.36 3cd6 s GLU 87 Cb -0.17 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 3cd6 s GLU 87 CO 0.56 0.13 2.64 -0.89 -0.54 0.00 0.00 175.26 177.16 3cd6 n ILE 88 N 0.56 4.30 -4.27 -3.70 5.41 -1.26 -4.79 119.36 115.60 3cd6 n ILE 88 Ca 0.02 -3.10 -0.29 0.00 1.00 0.00 0.00 62.75 60.38 3cd6 n ILE 88 Cb 0.48 -2.51 -0.10 0.00 -0.71 0.00 0.00 39.64 36.80 3cd6 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cd6 s ALA 89 N 1.69 2.83 -0.20 -1.39 0.00 -1.26 -5.08 121.76 118.35 3cd6 s ALA 89 Ca 0.60 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3cd6 s ALA 89 Cb 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3cd6 s ALA 89 CO -0.07 0.58 1.89 -2.14 0.00 0.00 0.00 175.76 176.02 3cd6 s PRO 90 N -2.32 3.57 0.00 0.00 0.02 -1.26 -2.47 135.00 132.54 3cd6 s PRO 90 Ca 0.21 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3cd6 s PRO 90 Cb -0.10 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.23 3cd6 s PRO 90 CO 0.12 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.62 3cd6 n GLY 91 N 5.11 1.04 3.77 0.52 0.00 -0.52 -4.83 105.19 110.28 3cd6 n GLY 91 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3cd6 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cd6 s ASN 92 N -1.11 5.69 -0.20 1.61 -0.87 -1.03 -4.65 114.94 114.37 3cd6 s ASN 92 Ca 0.00 0.22 -0.05 0.00 -1.57 0.00 0.00 52.86 51.46 3cd6 s ASN 92 Cb 0.00 -1.68 -0.02 0.00 -0.02 0.00 0.00 41.25 39.53 3cd6 s ASN 92 CO 0.00 0.34 -0.01 -0.89 -2.57 0.00 0.00 177.10 173.97 3cd6 s THR 93 N -1.05 3.83 -0.01 1.60 2.01 -1.05 -2.09 115.64 118.88 3cd6 s THR 93 Ca 0.18 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 3cd6 s THR 93 Cb -0.12 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 69.71 3cd6 s THR 93 CO 0.08 0.42 0.52 -1.48 -0.69 0.00 0.00 174.62 173.47 3cd6 s LEU 94 N 1.11 -0.04 0.74 4.42 2.34 -1.11 -2.33 118.68 123.80 3cd6 s LEU 94 Ca 0.02 0.36 -0.16 0.00 0.06 0.00 0.00 54.13 54.42 3cd6 s LEU 94 Cb -0.14 2.05 0.02 0.00 -0.56 0.00 0.00 46.19 47.55 3cd6 s LEU 94 CO 0.01 -0.60 1.02 -0.81 -1.06 0.00 0.00 176.35 174.91 3cd6 n PRO 95 N 0.84 0.48 0.02 1.48 -0.04 -1.26 -3.04 135.00 133.48 3cd6 n PRO 95 Ca -0.19 0.22 0.21 0.00 -0.04 0.00 0.00 63.50 63.70 3cd6 n PRO 95 Cb 0.58 -2.28 0.72 0.00 -0.04 0.00 0.00 33.50 32.48 3cd6 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3cd6 h LEU 96 N -0.34 0.00 -1.24 1.53 3.38 -1.22 -1.61 115.31 115.80 3cd6 h LEU 96 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 3cd6 h LEU 96 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3cd6 h LEU 96 CO 0.47 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.63 3cd6 h ALA 97 N 1.67 1.31 0.00 1.53 0.00 -1.79 -2.81 119.26 119.16 3cd6 h ALA 97 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cd6 h ALA 97 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3cd6 h ALA 97 CO -0.00 0.46 -0.73 0.93 0.00 0.00 0.00 179.25 179.91 3cd6 h GLU 98 N 0.00 0.00 -5.89 0.00 4.39 -1.60 -3.46 114.58 108.02 3cd6 h GLU 98 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.12 3cd6 h GLU 98 Cb 0.69 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 3cd6 h GLU 98 CO 0.05 0.00 0.13 0.42 -1.16 0.00 0.00 179.01 178.45 3cd6 s ILE 99 N -3.32 5.02 0.72 3.13 1.01 -1.06 -5.02 121.20 121.67 3cd6 s ILE 99 Ca 0.02 1.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.91 3cd6 s ILE 99 Cb 0.09 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.57 3cd6 s ILE 99 CO 0.76 0.18 1.12 -2.16 0.00 0.00 0.00 174.94 174.83 3cd6 s PRO 100 N 1.33 2.47 0.54 2.79 0.04 -1.26 -4.95 135.00 135.96 3cd6 s PRO 100 Ca 0.34 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 3cd6 s PRO 100 Cb -0.17 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3cd6 s PRO 100 CO 0.14 -1.51 1.16 -1.21 0.04 0.00 0.00 177.00 175.63 3cd6 s GLU 101 N -4.36 3.32 0.00 4.56 2.02 -1.26 -3.60 118.70 119.38 3cd6 s GLU 101 Ca 0.66 1.70 0.00 0.00 0.02 0.00 0.00 54.97 57.35 3cd6 s GLU 101 Cb -0.20 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3cd6 s GLU 101 CO 0.47 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 175.26 3cd6 n GLY 102 N 0.30 1.68 3.69 -1.39 0.00 0.14 -5.03 105.19 104.59 3cd6 n GLY 102 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3cd6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cd6 s VAL 103 N -2.96 5.07 0.09 1.61 1.01 -1.24 -4.85 120.40 119.13 3cd6 s VAL 103 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 3cd6 s VAL 103 Cb 0.00 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3cd6 s VAL 103 CO 0.00 0.21 1.54 -2.84 0.00 0.00 0.00 175.10 174.01 3cd6 s PRO 104 N 1.26 4.24 0.21 2.72 0.02 -1.26 -3.49 135.00 138.69 3cd6 s PRO 104 Ca 0.30 2.23 0.10 0.00 0.02 0.00 0.00 61.00 63.65 3cd6 s PRO 104 Cb -0.16 -3.42 -0.05 0.00 0.02 0.00 0.00 34.50 30.89 3cd6 s PRO 104 CO 0.12 -0.62 -0.19 0.14 -0.33 0.00 0.00 177.00 176.12 3cd6 s VAL 105 N 1.96 2.08 0.18 3.83 -7.23 0.63 0.25 120.40 122.09 3cd6 s VAL 105 Ca 0.70 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 3cd6 s VAL 105 Cb -0.39 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3cd6 s VAL 105 CO 0.31 -0.35 0.12 0.00 -0.31 0.00 0.00 175.10 174.87 3cd6 n ASN 107 N -0.21 -3.14 -4.73 0.00 2.85 0.63 -0.80 115.26 109.86 3cd6 n ASN 107 Ca -0.01 -0.78 -0.41 0.00 -0.11 0.00 0.00 54.58 53.26 3cd6 n ASN 107 Cb 0.65 -4.07 -0.03 0.00 1.24 0.00 0.00 39.78 37.57 3cd6 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cd6 s VAL 108 N -3.48 3.66 0.46 3.44 1.01 -0.09 -4.41 120.40 120.99 3cd6 s VAL 108 Ca 0.33 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 3cd6 s VAL 108 Cb -0.17 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 3cd6 s VAL 108 CO 0.81 0.17 0.96 -1.61 0.00 0.00 0.00 175.10 175.44 3cd6 s GLU 109 N 0.20 4.11 -0.24 2.72 2.02 -0.84 -0.55 118.70 126.12 3cd6 s GLU 109 Ca 0.55 1.05 -0.18 0.00 0.02 0.00 0.00 54.97 56.41 3cd6 s GLU 109 Cb -0.32 -2.17 -0.16 0.00 0.10 0.00 0.00 34.13 31.58 3cd6 s GLU 109 CO 0.34 -0.12 -0.04 0.45 0.02 0.00 0.00 175.26 175.91 3cd6 n SER 110 N -1.02 1.90 -4.48 -0.19 2.88 -1.26 -4.85 113.62 106.61 3cd6 n SER 110 Ca 0.07 0.39 -0.33 0.00 -1.33 0.00 0.00 58.87 57.66 3cd6 n SER 110 Cb 0.54 -0.90 -0.13 0.00 -0.75 0.00 0.00 64.21 62.97 3cd6 n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3cd6 s SER 111 N -7.14 4.40 -0.14 -3.46 0.15 -1.26 -4.70 113.70 101.55 3cd6 s SER 111 Ca -0.33 -0.17 -0.31 0.00 0.70 0.00 0.00 55.95 55.84 3cd6 s SER 111 Cb 0.10 -1.41 -0.08 0.00 -1.71 0.00 0.00 66.02 62.91 3cd6 s SER 111 CO 0.55 0.25 2.08 -0.81 1.20 0.00 0.00 173.24 176.51 3cd6 n PRO 112 N 2.97 2.16 0.00 5.44 -0.04 -1.26 -2.27 135.00 142.00 3cd6 n PRO 112 Ca -0.18 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3cd6 n PRO 112 Cb 0.53 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 3cd6 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cd6 n GLY 113 N 5.24 1.00 0.22 0.55 0.00 -1.26 -4.99 105.19 105.95 3cd6 n GLY 113 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3cd6 n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3cd6 h ASP 114 N 0.00 0.00 0.00 1.61 3.04 -1.88 -3.48 116.42 115.71 3cd6 h ASP 114 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3cd6 h ASP 114 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3cd6 h ASP 114 CO 0.00 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 3cd6 n GLY 115 N 0.96 0.63 0.00 7.15 0.00 -1.26 -4.94 105.19 107.73 3cd6 n GLY 115 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3cd6 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 116 N -1.17 2.92 1.14 -0.02 0.00 -1.26 -2.20 105.19 104.59 3cd6 n GLY 116 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3cd6 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cd6 n LYS 117 N 0.82 0.00 -3.29 1.61 4.76 0.29 -4.91 118.16 117.44 3cd6 n LYS 117 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3cd6 n LYS 117 Cb 0.00 -0.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 3cd6 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3cd6 s PHE 118 N -1.99 3.44 -0.51 2.13 2.99 0.27 -4.70 117.98 119.62 3cd6 s PHE 118 Ca 0.00 0.85 -0.23 0.00 0.00 0.00 0.00 56.93 57.55 3cd6 s PHE 118 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 43.02 40.80 3cd6 s PHE 118 CO 0.00 0.17 0.64 0.00 -0.00 0.00 0.00 175.22 176.03 3cd6 n ALA 119 N -0.59 -2.64 0.00 5.36 0.00 -1.26 -0.92 120.51 120.46 3cd6 n ALA 119 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3cd6 n ALA 119 Cb 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3cd6 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cd6 n ARG 120 N -0.62 3.61 -1.87 0.00 1.74 -1.26 -0.27 116.66 118.00 3cd6 n ARG 120 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 3cd6 n ARG 120 Cb 0.58 -0.48 0.09 0.00 -1.02 0.00 0.00 32.46 31.63 3cd6 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cd6 s ALA 121 N -0.83 2.59 -0.02 7.54 0.00 -1.26 -4.97 121.76 124.81 3cd6 s ALA 121 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 51.96 50.97 3cd6 s ALA 121 Cb 0.00 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.00 3cd6 s ALA 121 CO 0.00 -1.71 1.62 0.43 0.00 0.00 0.00 175.76 176.11 3cd6 n SER 122 N -3.34 2.62 0.00 0.00 7.64 -1.26 -2.88 113.62 116.40 3cd6 n SER 122 Ca 0.08 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3cd6 n SER 122 Cb 0.61 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3cd6 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cd6 n GLY 123 N 3.58 0.10 3.91 0.23 0.00 -1.03 -4.72 105.19 107.26 3cd6 n GLY 123 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3cd6 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cd6 s VAL 124 N -1.27 3.64 0.13 1.61 -7.23 -1.14 -4.64 120.40 111.50 3cd6 s VAL 124 Ca 0.00 0.07 -0.23 0.00 -1.81 0.00 0.00 61.98 60.01 3cd6 s VAL 124 Cb 0.00 -3.46 0.07 0.00 0.56 0.00 0.00 36.38 33.55 3cd6 s VAL 124 CO 0.00 -0.49 0.58 0.54 -0.31 0.00 0.00 175.10 175.42 3cd6 s ASN 125 N -4.31 -0.53 0.06 4.85 2.20 -1.26 -2.29 114.94 113.65 3cd6 s ASN 125 Ca 0.54 0.04 0.05 0.00 -0.94 0.00 0.00 52.86 52.56 3cd6 s ASN 125 Cb -0.11 0.57 -0.04 0.00 -2.00 0.00 0.00 41.25 39.68 3cd6 s ASN 125 CO 0.46 -0.91 -0.06 0.00 -2.94 0.00 0.00 177.10 173.65 3cd6 s ALA 126 N -3.44 3.08 -0.15 3.54 0.00 0.14 -3.71 121.76 121.23 3cd6 s ALA 126 Ca -0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 3cd6 s ALA 126 Cb -0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 3cd6 s ALA 126 CO -0.10 0.65 -0.05 -1.14 0.00 0.00 0.00 175.76 175.11 3cd6 s GLN 127 N -1.89 3.58 -0.18 0.00 2.00 -0.24 -0.27 119.66 122.66 3cd6 s GLN 127 Ca 0.21 -0.54 -0.20 0.00 -2.00 0.00 0.00 55.36 52.82 3cd6 s GLN 127 Cb -0.11 -2.86 -0.03 0.00 0.80 0.00 0.00 33.01 30.81 3cd6 s GLN 127 CO 0.12 0.26 0.60 -1.17 -0.50 0.00 0.00 175.29 174.61 3cd6 s LEU 128 N 0.29 4.17 -0.01 3.68 2.96 -1.23 0.01 118.68 128.54 3cd6 s LEU 128 Ca -0.04 0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 54.64 3cd6 s LEU 128 Cb -0.14 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3cd6 s LEU 128 CO 0.03 -0.22 -0.10 0.18 -1.32 0.00 0.00 176.35 174.92 3cd6 n LEU 129 N 4.80 0.98 -4.46 -0.68 4.77 -0.29 -0.69 117.00 121.43 3cd6 n LEU 129 Ca -0.02 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 3cd6 n LEU 129 Cb 0.50 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3cd6 n LEU 129 CO 0.44 -0.54 -0.47 -0.89 -1.33 0.00 0.00 177.39 174.60 3cd6 s THR 130 N -1.92 2.95 0.13 -5.08 2.01 -1.22 -4.70 115.64 107.82 3cd6 s THR 130 Ca -0.08 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3cd6 s THR 130 Cb 0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3cd6 s THR 130 CO 0.12 0.59 0.03 -1.00 -0.69 0.00 0.00 174.62 173.67 3cd6 s HIS 131 N -0.70 2.98 0.09 4.92 3.76 -1.26 -2.23 115.29 122.84 3cd6 s HIS 131 Ca 0.11 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.93 3cd6 s HIS 131 Cb -0.11 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3cd6 s HIS 131 CO 0.00 0.50 0.17 -3.47 -0.85 0.00 0.00 174.74 171.09 3cd6 n ASP 132 N 0.14 -0.49 -0.00 1.40 -0.08 -1.04 -5.00 116.55 111.48 3cd6 n ASP 132 Ca -0.10 -1.37 0.11 0.00 -1.51 0.00 0.00 54.79 51.92 3cd6 n ASP 132 Cb 0.54 0.82 -0.16 0.00 2.34 0.00 0.00 41.12 44.66 3cd6 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3cd6 n ARG 133 N -0.12 0.63 -0.08 -0.67 1.74 -1.26 -4.57 116.66 112.32 3cd6 n ARG 133 Ca -0.02 -0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 56.78 3cd6 n ARG 133 Cb 0.13 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 3cd6 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3cd6 n ASN 134 N -2.25 2.65 -4.39 0.55 3.02 -1.26 -4.98 115.26 108.61 3cd6 n ASN 134 Ca -0.03 -0.09 -0.19 0.00 -0.03 0.00 0.00 54.58 54.24 3cd6 n ASN 134 Cb 0.56 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 3cd6 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cd6 s VAL 135 N -2.33 1.14 -0.13 2.41 0.11 -1.26 -4.42 120.40 115.92 3cd6 s VAL 135 Ca -0.22 -2.03 -0.04 0.00 -2.93 0.00 0.00 61.98 56.76 3cd6 s VAL 135 Cb 0.06 -2.54 0.06 0.00 -1.53 0.00 0.00 36.38 32.43 3cd6 s VAL 135 CO 0.39 -0.18 0.19 0.00 -3.33 0.00 0.00 175.10 172.18 3cd6 s ALA 136 N -3.34 -0.25 -0.35 1.54 0.00 0.49 -2.49 121.76 117.36 3cd6 s ALA 136 Ca 0.32 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 3cd6 s ALA 136 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3cd6 s ALA 136 CO 0.12 -0.76 0.64 0.08 0.00 0.00 0.00 175.76 175.84 3cd6 s VAL 137 N 2.32 4.89 -0.16 0.00 1.01 -0.95 -0.25 120.40 127.27 3cd6 s VAL 137 Ca 0.04 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 3cd6 s VAL 137 Cb -0.13 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3cd6 s VAL 137 CO -0.08 -0.30 -0.07 -0.69 0.00 0.00 0.00 175.10 173.96 3cd6 s VAL 138 N 2.70 3.53 -0.52 2.92 1.01 -0.18 -1.14 120.40 128.73 3cd6 s VAL 138 Ca 0.25 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 3cd6 s VAL 138 Cb -0.14 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.77 3cd6 s VAL 138 CO 0.15 0.49 0.62 -0.75 0.00 0.00 0.00 175.10 175.61 3cd6 s LYS 139 N 0.51 3.10 0.67 2.72 2.20 0.10 -0.29 119.74 128.76 3cd6 s LYS 139 Ca -0.05 -1.00 -0.14 0.00 -0.36 0.00 0.00 55.97 54.41 3cd6 s LYS 139 Cb -0.15 -4.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.05 3cd6 s LYS 139 CO 0.03 -1.27 1.11 -0.51 -0.36 0.00 0.00 175.35 174.36 3cd6 s LEU 140 N 2.57 3.35 0.25 5.43 1.43 -0.47 -1.08 118.68 130.16 3cd6 s LEU 140 Ca 0.14 1.99 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 3cd6 s LEU 140 Cb -0.20 -4.55 0.45 0.00 0.03 0.00 0.00 46.19 41.91 3cd6 s LEU 140 CO 0.10 -1.69 1.09 -0.81 0.23 0.00 0.00 176.35 175.27 3cd6 n PRO 141 N -2.55 0.06 0.00 1.29 -0.04 -1.24 -0.58 135.00 131.94 3cd6 n PRO 141 Ca 0.10 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 3cd6 n PRO 141 Cb 0.52 -2.05 0.29 0.00 -0.04 0.00 0.00 33.50 32.23 3cd6 n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3cd6 n SER 142 N -1.82 0.70 0.00 3.54 3.41 -1.26 -4.93 113.62 113.26 3cd6 n SER 142 Ca -0.01 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3cd6 n SER 142 Cb 0.37 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3cd6 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cd6 n GLY 143 N 1.44 1.12 3.64 5.00 0.00 0.26 -5.08 105.19 111.56 3cd6 n GLY 143 Ca 0.08 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3cd6 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cd6 s GLU 144 N -1.93 3.48 -0.59 1.61 2.12 -1.22 -4.93 118.70 117.24 3cd6 s GLU 144 Ca 0.00 -0.40 -0.26 0.00 0.36 0.00 0.00 54.97 54.68 3cd6 s GLU 144 Cb 0.00 -2.97 0.04 0.00 0.26 0.00 0.00 34.13 31.46 3cd6 s GLU 144 CO 0.00 0.47 1.05 -1.64 -0.54 0.00 0.00 175.26 174.60 3cd6 s MET 145 N -0.22 3.36 -0.35 4.30 -1.94 -1.26 -1.36 119.30 121.83 3cd6 s MET 145 Ca 0.06 -0.15 -0.11 0.00 -1.71 0.00 0.00 55.69 53.78 3cd6 s MET 145 Cb -0.12 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.65 3cd6 s MET 145 CO 0.02 -1.63 0.20 0.21 -0.01 0.00 0.00 175.02 173.80 3cd6 s LYS 146 N 4.44 3.17 -0.56 2.03 2.47 0.61 -4.95 119.74 126.95 3cd6 s LYS 146 Ca 0.34 -0.85 -0.27 0.00 -1.56 0.00 0.00 55.97 53.64 3cd6 s LYS 146 Cb -0.11 -3.70 0.03 0.00 -1.46 0.00 0.00 37.83 32.60 3cd6 s LYS 146 CO 0.20 -0.54 1.08 1.03 0.16 0.00 0.00 175.35 177.28 3cd6 s ARG 147 N 1.62 3.46 0.33 4.03 0.52 -1.26 -1.01 118.95 126.64 3cd6 s ARG 147 Ca 0.04 0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.41 3cd6 s ARG 147 Cb -0.18 -4.02 -0.05 0.00 0.52 0.00 0.00 34.95 31.23 3cd6 s ARG 147 CO 0.07 -1.56 0.07 -0.51 0.02 0.00 0.00 175.30 173.39 3cd6 s LEU 148 N 4.48 3.16 0.04 2.53 1.43 0.66 -4.91 118.68 126.07 3cd6 s LEU 148 Ca 0.38 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.36 3cd6 s LEU 148 Cb -0.09 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3cd6 s LEU 148 CO 0.24 -0.22 1.27 -0.62 0.23 0.00 0.00 176.35 177.25 3cd6 s ASP 149 N -3.77 6.98 0.32 2.29 -1.08 -1.26 -0.38 116.67 119.77 3cd6 s ASP 149 Ca 0.36 2.07 0.21 0.00 -0.52 0.00 0.00 52.55 54.67 3cd6 s ASP 149 Cb -0.02 -2.57 1.16 0.00 -1.46 0.00 0.00 42.92 40.02 3cd6 s ASP 149 CO 0.21 -0.57 1.66 -0.81 0.52 0.00 0.00 175.17 176.18 3cd6 n PRO 150 N 4.38 0.14 0.00 4.34 -0.04 -1.26 -1.90 135.00 140.66 3cd6 n PRO 150 Ca 0.10 0.63 0.15 0.00 -0.04 0.00 0.00 63.50 64.34 3cd6 n PRO 150 Cb 0.45 -1.95 0.71 0.00 -0.04 0.00 0.00 33.50 32.67 3cd6 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3cd6 n GLN 151 N -2.25 0.63 -2.43 0.54 -0.06 -1.26 -2.44 117.38 110.11 3cd6 n GLN 151 Ca -0.01 -0.12 -0.42 0.00 -2.00 0.00 0.00 57.00 54.45 3cd6 n GLN 151 Cb 0.04 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.70 3cd6 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3cd6 s ARG 153 N 2.13 3.71 -0.12 0.00 0.52 -1.26 -2.06 118.95 121.87 3cd6 s ARG 153 Ca 0.57 1.21 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 3cd6 s ARG 153 Cb -0.26 -2.09 0.06 0.00 0.52 0.00 0.00 34.95 33.18 3cd6 s ARG 153 CO 0.23 -0.49 0.63 0.00 0.02 0.00 0.00 175.30 175.69 3cd6 s ALA 154 N -2.28 -1.60 0.08 2.13 0.00 -1.17 -1.99 121.76 116.93 3cd6 s ALA 154 Ca 0.64 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.88 3cd6 s ALA 154 Cb -0.14 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 3cd6 s ALA 154 CO 0.27 -0.33 0.47 0.99 0.00 0.00 0.00 175.76 177.16 3cd6 s THR 155 N -0.60 4.96 -0.03 0.00 2.01 0.02 -2.75 115.64 119.25 3cd6 s THR 155 Ca -0.07 0.75 -0.24 0.00 0.31 0.00 0.00 61.69 62.44 3cd6 s THR 155 Cb -0.02 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3cd6 s THR 155 CO 0.06 0.37 0.73 -0.63 -0.69 0.00 0.00 174.62 174.45 3cd6 s ILE 156 N -1.32 4.95 0.00 1.82 1.01 -0.89 -0.12 121.20 126.65 3cd6 s ILE 156 Ca 0.32 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.49 3cd6 s ILE 156 Cb -0.15 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3cd6 s ILE 156 CO 0.17 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3cd6 n GLY 157 N 2.87 1.80 3.89 6.18 0.00 0.14 -1.44 105.19 118.63 3cd6 n GLY 157 Ca -0.01 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 3cd6 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cd6 s VAL 158 N -1.63 5.01 0.47 1.61 -7.23 -1.26 -3.21 120.40 114.16 3cd6 s VAL 158 Ca 0.00 0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.17 3cd6 s VAL 158 Cb 0.00 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 3cd6 s VAL 158 CO 0.00 -0.16 1.12 -0.69 -0.31 0.00 0.00 175.10 175.06 3cd6 s VAL 159 N -1.91 3.34 0.86 1.32 1.01 -0.97 -1.13 120.40 122.93 3cd6 s VAL 159 Ca 0.45 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 3cd6 s VAL 159 Cb -0.11 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 32.93 3cd6 s VAL 159 CO 0.26 -0.07 1.11 0.00 0.00 0.00 0.00 175.10 176.40 3cd6 s ALA 160 N -1.67 1.93 0.00 5.51 0.00 -0.69 -2.45 121.76 124.38 3cd6 s ALA 160 Ca 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3cd6 s ALA 160 Cb -0.25 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3cd6 s ALA 160 CO 0.30 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.40 3cd6 n GLY 161 N -2.04 0.46 3.73 0.00 0.00 -1.26 -3.10 105.19 102.98 3cd6 n GLY 161 Ca 0.07 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 3cd6 n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cd6 s GLY 162 N -2.90 2.58 0.00 -0.02 0.00 -1.26 -3.65 107.32 102.07 3cd6 s GLY 162 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3cd6 s GLY 162 CO 0.00 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.12 3cd6 n GLY 163 N 0.55 0.47 0.32 0.20 0.00 -1.26 -4.93 105.19 100.53 3cd6 n GLY 163 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 3cd6 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cd6 h ARG 164 N 0.64 0.81 0.00 1.61 2.43 -1.93 -2.37 114.38 115.57 3cd6 h ARG 164 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3cd6 h ARG 164 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3cd6 h ARG 164 CO 0.00 0.64 0.00 2.41 -1.51 0.00 0.00 179.97 181.51 3cd6 n THR 165 N -4.35 0.55 0.19 0.20 -1.04 -1.26 -3.82 114.28 104.75 3cd6 n THR 165 Ca 0.05 -0.13 0.08 0.00 -2.04 0.00 0.00 64.05 62.00 3cd6 n THR 165 Cb 0.14 -0.68 0.25 0.00 -1.82 0.00 0.00 70.33 68.22 3cd6 n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3cd6 h ASP 166 N 0.00 0.00 -3.19 8.00 3.32 -1.83 -3.43 116.42 119.28 3cd6 h ASP 166 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3cd6 h ASP 166 Cb 0.62 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.03 3cd6 h ASP 166 CO 0.00 0.28 -0.54 -0.75 -1.72 0.00 0.00 179.24 176.50 3cd6 s LYS 167 N -3.31 3.84 0.59 3.56 2.20 -1.25 -5.10 119.74 120.27 3cd6 s LYS 167 Ca 0.03 -0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.19 3cd6 s LYS 167 Cb 0.08 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3cd6 s LYS 167 CO 0.68 0.40 1.04 -1.25 -0.36 0.00 0.00 175.35 175.85 3cd6 s PRO 168 N 0.04 3.42 0.49 4.03 0.04 -1.26 -4.97 135.00 136.79 3cd6 s PRO 168 Ca 0.07 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.44 3cd6 s PRO 168 Cb -0.12 -2.05 1.28 0.00 0.04 0.00 0.00 34.50 33.65 3cd6 s PRO 168 CO 0.00 -0.72 2.01 0.74 0.04 0.00 0.00 177.00 179.08 3cd6 h PHE 169 N 0.34 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 111.41 3cd6 h PHE 169 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 3cd6 h PHE 169 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3cd6 h PHE 169 CO 0.61 0.16 0.00 0.28 -1.61 0.00 0.00 178.31 177.75 3cd6 n VAL 170 N -3.69 0.00 -4.30 -0.55 0.31 -1.26 -4.67 118.33 104.17 3cd6 n VAL 170 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.12 3cd6 n VAL 170 Cb 0.28 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 3cd6 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3cd6 s LYS 171 N 0.00 1.20 0.47 5.55 -2.85 -1.26 -5.04 119.74 117.81 3cd6 s LYS 171 Ca 0.00 -1.40 0.12 0.00 -1.00 0.00 0.00 55.97 53.69 3cd6 s LYS 171 Cb 0.00 -1.11 1.07 0.00 -2.06 0.00 0.00 37.83 35.73 3cd6 s LYS 171 CO 0.00 0.21 2.10 0.00 0.10 0.00 0.00 175.35 177.76 3cd6 h ALA 172 N 3.15 1.85 -0.90 0.59 0.00 -2.01 -2.61 119.26 119.33 3cd6 h ALA 172 Ca -0.40 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3cd6 h ALA 172 Cb 1.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3cd6 h ALA 172 CO 0.54 0.13 0.59 0.78 0.00 0.00 0.00 179.25 181.29 3cd6 h GLY 173 N 0.27 1.30 1.32 0.00 0.00 -1.96 -0.20 103.07 103.81 3cd6 h GLY 173 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 3cd6 h GLY 173 CO -0.01 0.37 -0.28 3.43 0.00 0.00 0.00 176.54 180.05 3cd6 h ASN 174 N 1.11 0.79 -0.34 0.19 2.35 -1.73 -2.38 115.58 115.57 3cd6 h ASN 174 Ca 0.36 -0.31 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3cd6 h ASN 174 Cb 0.05 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3cd6 h ASN 174 CO -0.12 1.02 -0.33 0.50 -1.65 0.00 0.00 177.43 176.86 3cd6 h LYS 175 N 0.66 0.88 -0.13 0.81 3.11 -1.44 -2.61 116.57 117.84 3cd6 h LYS 175 Ca 0.08 -0.42 0.04 0.00 -2.81 0.00 0.00 60.65 57.54 3cd6 h LYS 175 Cb 0.80 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.98 3cd6 h LYS 175 CO 0.07 1.07 -0.15 1.25 -2.81 0.00 0.00 179.45 178.88 3cd6 h HIS 176 N 0.73 -0.38 -0.48 1.91 2.76 -0.74 0.02 115.15 118.96 3cd6 h HIS 176 Ca 0.07 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 3cd6 h HIS 176 Cb 0.90 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 3cd6 h HIS 176 CO 0.05 -0.22 0.18 0.45 -1.30 0.00 0.00 177.93 177.09 3cd6 h HIS 177 N -0.19 0.70 -0.21 5.26 3.86 -1.33 -0.90 115.15 122.34 3cd6 h HIS 177 Ca 0.10 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 3cd6 h HIS 177 Cb 0.32 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3cd6 h HIS 177 CO -0.27 0.56 -0.28 -0.22 0.86 0.00 0.00 177.93 178.58 3cd6 h LYS 178 N 0.69 0.56 0.00 2.45 3.64 -1.04 -3.18 116.57 119.70 3cd6 h LYS 178 Ca 0.17 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3cd6 h LYS 178 Cb 0.16 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3cd6 h LYS 178 CO -0.01 0.92 -0.26 1.98 -2.27 0.00 0.00 179.45 179.80 3cd6 h MET 179 N 0.24 0.00 0.00 1.90 4.05 -0.65 -2.62 114.93 117.85 3cd6 h MET 179 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3cd6 h MET 179 Cb 0.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 3cd6 h MET 179 CO 0.07 0.26 0.00 1.17 0.23 0.00 0.00 176.91 178.64 3cd6 n LYS 180 N -3.57 0.11 -0.13 0.39 4.81 -0.38 -2.43 118.16 116.96 3cd6 n LYS 180 Ca -0.01 0.31 0.06 0.00 -0.87 0.00 0.00 58.31 57.80 3cd6 n LYS 180 Cb 0.40 -1.70 0.13 0.00 0.02 0.00 0.00 35.03 33.89 3cd6 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cd6 n ALA 181 N -1.65 2.26 -2.64 3.14 0.00 -0.99 -4.87 120.51 115.76 3cd6 n ALA 181 Ca 0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 3cd6 n ALA 181 Cb 0.23 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 3cd6 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cd6 s ARG 182 N -0.99 2.02 -0.99 0.00 1.81 -1.02 -4.73 118.95 115.04 3cd6 s ARG 182 Ca 0.21 -2.23 -0.05 0.00 -1.72 0.00 0.00 55.73 51.95 3cd6 s ARG 182 Cb 0.12 -1.29 0.10 0.00 -0.45 0.00 0.00 34.95 33.43 3cd6 s ARG 182 CO 0.16 -0.29 2.52 0.41 -0.68 0.00 0.00 175.30 177.42 3cd6 n GLY 183 N -1.05 4.91 2.86 -3.53 0.00 -1.26 -4.59 105.19 102.53 3cd6 n GLY 183 Ca -0.11 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3cd6 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cd6 s THR 184 N -1.62 -0.03 -0.02 2.61 2.01 -1.26 -4.84 115.64 112.48 3cd6 s THR 184 Ca 0.56 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 3cd6 s THR 184 Cb 0.26 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.64 3cd6 s THR 184 CO -0.14 0.05 0.90 -0.75 -0.69 0.00 0.00 174.62 173.98 3cd6 s LYS 185 N 0.61 4.53 -0.06 4.92 2.47 -1.26 -4.83 119.74 126.11 3cd6 s LYS 185 Ca -0.05 1.27 -0.09 0.00 -1.56 0.00 0.00 55.97 55.54 3cd6 s LYS 185 Cb -0.07 -3.46 0.02 0.00 -1.46 0.00 0.00 37.83 32.86 3cd6 s LYS 185 CO -0.02 -0.02 0.24 -0.46 0.16 0.00 0.00 175.35 175.25 3cd6 s TRP 186 N 0.95 -0.20 0.97 4.03 -0.00 -1.26 -4.74 118.94 118.69 3cd6 s TRP 186 Ca 0.48 0.47 -0.13 0.00 -0.00 0.00 0.00 56.10 56.91 3cd6 s TRP 186 Cb -0.20 0.07 0.17 0.00 -0.00 0.00 0.00 33.47 33.51 3cd6 s TRP 186 CO 0.25 -0.19 1.13 -1.25 -0.00 0.00 0.00 176.95 176.89 3cd6 s PRO 187 N -0.33 0.66 -0.27 5.86 0.04 -1.26 -5.10 135.00 134.60 3cd6 s PRO 187 Ca -0.04 0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.17 3cd6 s PRO 187 Cb -0.03 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 3cd6 s PRO 187 CO 0.01 -2.52 0.13 -0.80 0.04 0.00 0.00 177.00 173.86 3cd6 s ASN 188 N -3.90 5.61 -0.14 6.66 0.01 -1.26 -5.08 114.94 116.83 3cd6 s ASN 188 Ca 0.65 -0.10 -0.12 0.00 -0.71 0.00 0.00 52.86 52.58 3cd6 s ASN 188 Cb -0.15 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 3cd6 s ASN 188 CO 0.55 -0.04 0.25 -0.69 -1.51 0.00 0.00 177.10 175.66 3cd6 s VAL 189 N 1.68 5.33 0.36 1.60 1.01 -1.26 -5.06 120.40 124.06 3cd6 s VAL 189 Ca 0.07 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.23 3cd6 s VAL 189 Cb -0.16 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3cd6 s VAL 189 CO 0.08 0.46 1.26 -0.13 0.00 0.00 0.00 175.10 176.77 3cd6 s ARG 190 N 0.02 4.20 0.39 2.72 0.52 -1.26 -4.93 118.95 120.60 3cd6 s ARG 190 Ca 0.15 2.09 0.07 0.00 -0.52 0.00 0.00 55.73 57.52 3cd6 s ARG 190 Cb -0.13 -2.90 0.78 0.00 0.52 0.00 0.00 34.95 33.22 3cd6 s ARG 190 CO 0.04 -0.28 1.98 0.78 0.02 0.00 0.00 175.30 177.84 3cd6 h GLY 191 N 3.05 0.50 2.00 -3.53 0.00 -1.97 -1.01 103.07 102.11 3cd6 h GLY 191 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3cd6 h GLY 191 CO 0.64 0.23 0.00 -2.08 0.00 0.00 0.00 176.54 175.33 3cd6 h VAL 192 N 0.47 0.00 -0.13 4.60 2.07 -1.92 -1.60 116.25 119.73 3cd6 h VAL 192 Ca 0.11 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3cd6 h VAL 192 Cb 0.14 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3cd6 h VAL 192 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 3cd6 n ALA 193 N -1.84 2.47 -2.02 1.67 0.00 -0.39 -4.63 120.51 115.77 3cd6 n ALA 193 Ca 0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 3cd6 n ALA 193 Cb 0.20 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.82 3cd6 n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3cd6 s MET 194 N -1.85 2.40 0.56 0.00 -1.94 -0.61 -5.00 119.30 112.86 3cd6 s MET 194 Ca 0.32 -1.48 -0.08 0.00 -1.71 0.00 0.00 55.69 52.75 3cd6 s MET 194 Cb 0.21 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 3cd6 s MET 194 CO 0.31 -0.75 0.92 -0.80 -0.01 0.00 0.00 175.02 174.68 3cd6 s ASN 195 N -4.59 6.15 0.39 3.03 0.01 -1.26 -1.58 114.94 117.08 3cd6 s ASN 195 Ca 0.60 1.13 0.09 0.00 -0.71 0.00 0.00 52.86 53.97 3cd6 s ASN 195 Cb -0.07 -2.28 0.85 0.00 0.41 0.00 0.00 41.25 40.16 3cd6 s ASN 195 CO 0.38 -0.78 1.97 0.00 -1.51 0.00 0.00 177.10 177.16 3cd6 h ALA 196 N -0.09 1.81 -0.55 0.60 0.00 -1.81 -1.63 119.26 117.59 3cd6 h ALA 196 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3cd6 h ALA 196 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3cd6 h ALA 196 CO 0.62 0.08 0.25 -0.24 0.00 0.00 0.00 179.25 179.95 3cd6 h VAL 197 N 0.62 1.19 0.00 0.00 3.04 -1.93 -3.16 116.25 116.01 3cd6 h VAL 197 Ca 0.29 -0.55 -0.06 0.00 -1.01 0.00 0.00 66.70 65.37 3cd6 h VAL 197 Cb 0.34 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 3cd6 h VAL 197 CO -0.09 0.23 -0.70 0.44 -1.01 0.00 0.00 177.57 176.44 3cd6 h ASP 198 N 0.77 0.00 -4.72 3.17 3.32 -1.58 -1.46 116.42 115.93 3cd6 h ASP 198 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3cd6 h ASP 198 Cb 0.11 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.46 3cd6 h ASP 198 CO -0.02 0.22 0.22 -2.28 -1.72 0.00 0.00 179.24 175.65 3cd6 s HIS 199 N -3.15 -0.65 0.57 4.55 2.46 -1.13 -4.41 115.29 113.53 3cd6 s HIS 199 Ca 0.02 1.22 0.26 0.00 0.47 0.00 0.00 55.06 57.03 3cd6 s HIS 199 Cb 0.08 0.39 1.60 0.00 -0.13 0.00 0.00 32.58 34.52 3cd6 s HIS 199 CO 0.75 -0.54 2.15 -1.35 -2.47 0.00 0.00 174.74 173.28 3cd6 h PRO 200 N 3.32 0.00 -0.02 2.88 0.11 -1.85 -0.30 132.00 136.14 3cd6 h PRO 200 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3cd6 h PRO 200 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3cd6 h PRO 200 CO 0.32 0.00 -0.02 1.19 -0.21 0.00 0.00 178.00 179.28 3cd6 n PHE 201 N -4.03 0.00 -1.78 0.65 0.99 -1.26 -4.66 117.46 107.36 3cd6 n PHE 201 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 3cd6 n PHE 201 Cb 0.22 -0.00 0.05 0.00 -1.00 0.00 0.00 39.48 38.75 3cd6 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3cd6 s GLY 202 N -2.03 1.63 0.00 1.37 0.00 -0.12 -4.05 107.32 104.12 3cd6 s GLY 202 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3cd6 s GLY 202 CO 0.34 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.16 3cd6 n GLY 203 N -2.69 -2.56 0.00 0.20 0.00 -0.62 -4.02 105.19 95.50 3cd6 n GLY 203 Ca 0.07 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3cd6 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 204 N -0.04 -2.02 0.26 -0.02 0.00 -1.26 -4.69 105.19 97.42 3cd6 n GLY 204 Ca 0.00 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.71 3cd6 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 205 N -1.28 -0.44 3.20 -0.02 0.00 -1.26 -4.80 105.19 100.60 3cd6 n GLY 205 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3cd6 n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cd6 s ARG 206 N -1.98 0.70 -0.44 1.61 3.52 -1.26 -5.14 118.95 115.97 3cd6 s ARG 206 Ca 0.40 -0.54 -0.24 0.00 -0.13 0.00 0.00 55.73 55.22 3cd6 s ARG 206 Cb 0.20 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 3cd6 s ARG 206 CO 0.33 -0.21 0.84 -0.65 -0.81 0.00 0.00 175.30 174.80 3cd6 s GLN 207 N -2.37 3.50 -0.11 5.12 -0.21 -1.26 -4.98 119.66 119.35 3cd6 s GLN 207 Ca -0.07 0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.07 3cd6 s GLN 207 Cb -0.02 -3.92 0.11 0.00 1.00 0.00 0.00 33.01 30.19 3cd6 s GLN 207 CO -0.03 -1.12 0.93 -3.38 -2.12 0.00 0.00 175.29 169.57 3cd6 s HIS 208 N 3.44 -0.41 0.08 0.91 -3.43 -1.26 -5.10 115.29 109.51 3cd6 s HIS 208 Ca 0.33 0.63 -0.30 0.00 -0.80 0.00 0.00 55.06 54.92 3cd6 s HIS 208 Cb -0.11 0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 31.44 3cd6 s HIS 208 CO 0.23 -0.42 1.05 -1.25 -2.00 0.00 0.00 174.74 172.35 3cd6 s PRO 209 N -1.49 4.57 -0.09 -0.38 0.04 -1.26 -4.90 135.00 131.49 3cd6 s PRO 209 Ca -0.02 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.59 3cd6 s PRO 209 Cb -0.00 -3.38 0.12 0.00 0.04 0.00 0.00 34.50 31.28 3cd6 s PRO 209 CO 0.01 -0.00 1.29 0.41 0.04 0.00 0.00 177.00 178.75 3cd6 n GLY 210 N 2.63 2.57 3.63 0.56 0.00 -1.26 -4.82 105.19 108.50 3cd6 n GLY 210 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 3cd6 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd6 s LYS 211 N -0.63 0.80 0.37 1.61 1.02 -1.26 -5.12 119.74 116.52 3cd6 s LYS 211 Ca 0.11 -0.39 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 3cd6 s LYS 211 Cb 0.09 0.31 -0.09 0.00 -0.52 0.00 0.00 37.83 37.62 3cd6 s LYS 211 CO 0.02 -0.36 1.16 -1.25 -0.92 0.00 0.00 175.35 174.00 3cd6 s PRO 212 N -2.94 4.22 0.36 -1.68 0.04 -1.26 -4.96 135.00 128.77 3cd6 s PRO 212 Ca 0.10 1.86 0.17 0.00 0.04 0.00 0.00 61.00 63.17 3cd6 s PRO 212 Cb 0.00 -2.82 0.65 0.00 0.04 0.00 0.00 34.50 32.37 3cd6 s PRO 212 CO -0.03 -0.18 1.73 0.87 0.04 0.00 0.00 177.00 179.42 3cd6 h LYS 213 N 2.96 0.00 -6.36 4.56 1.57 -1.95 -3.43 116.57 113.92 3cd6 h LYS 213 Ca -0.48 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 3cd6 h LYS 213 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3cd6 h LYS 213 CO 0.64 0.40 1.08 -1.12 -0.57 0.00 0.00 179.45 179.88 3cd6 s SER 214 N -6.52 6.41 -0.03 0.86 0.01 -1.26 -1.14 113.70 112.04 3cd6 s SER 214 Ca -0.00 1.28 0.02 0.00 1.31 0.00 0.00 55.95 58.55 3cd6 s SER 214 Cb 0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 3cd6 s SER 214 CO 0.70 -1.29 -0.05 -0.51 0.41 0.00 0.00 173.24 172.50 3cd6 s ILE 215 N 5.16 3.79 0.54 1.44 1.10 -0.22 -4.95 121.20 128.06 3cd6 s ILE 215 Ca 0.65 -0.60 -0.21 0.00 -0.51 0.00 0.00 60.65 59.97 3cd6 s ILE 215 Cb -0.19 -2.62 -0.05 0.00 0.15 0.00 0.00 42.46 39.75 3cd6 s ILE 215 CO 0.28 0.48 1.31 -0.55 -2.11 0.00 0.00 174.94 174.35 3cd6 s SER 216 N -1.18 5.39 0.37 4.50 0.15 -1.26 -0.51 113.70 121.16 3cd6 s SER 216 Ca 0.15 2.64 0.05 0.00 0.70 0.00 0.00 55.95 59.50 3cd6 s SER 216 Cb -0.11 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.29 3cd6 s SER 216 CO 0.05 -1.48 1.97 0.03 1.20 0.00 0.00 173.24 175.01 3cd6 h ARG 217 N 1.47 0.56 0.00 5.44 2.47 -1.96 -2.10 114.38 120.26 3cd6 h ARG 217 Ca -0.51 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 3cd6 h ARG 217 Cb 1.29 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3cd6 h ARG 217 CO 0.57 0.47 0.00 0.09 0.56 0.00 0.00 179.97 181.66 3cd6 n ASN 218 N -4.38 0.00 -4.75 7.04 3.02 -1.26 -4.82 115.26 110.11 3cd6 n ASN 218 Ca 0.03 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 3cd6 n ASN 218 Cb 0.14 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 3cd6 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cd6 s ALA 219 N -2.00 3.41 0.63 5.41 0.00 -0.79 -5.04 121.76 123.38 3cd6 s ALA 219 Ca 0.17 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 3cd6 s ALA 219 Cb 0.08 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3cd6 s ALA 219 CO 0.13 -0.23 1.04 -1.25 0.00 0.00 0.00 175.76 175.45 3cd6 s PRO 220 N -0.95 3.40 0.06 0.00 0.04 -1.26 -4.71 135.00 131.57 3cd6 s PRO 220 Ca 0.47 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 3cd6 s PRO 220 Cb -0.32 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3cd6 s PRO 220 CO 0.39 -0.73 1.62 -1.25 0.04 0.00 0.00 177.00 177.06 3cd6 s PRO 221 N -4.94 4.21 0.00 0.56 0.04 -1.26 -1.72 135.00 131.89 3cd6 s PRO 221 Ca 0.57 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.88 3cd6 s PRO 221 Cb -0.12 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3cd6 s PRO 221 CO 0.51 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.24 3cd6 n GLY 222 N 3.95 1.99 0.00 0.56 0.00 -1.26 -4.84 105.19 105.59 3cd6 n GLY 222 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3cd6 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cd6 n ARG 223 N 0.00 1.96 -2.50 1.61 0.63 -0.70 -4.75 116.66 112.91 3cd6 n ARG 223 Ca 0.00 -0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.52 3cd6 n ARG 223 Cb 0.00 -1.02 -0.01 0.00 0.45 0.00 0.00 32.46 31.88 3cd6 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3cd6 s LYS 224 N -2.04 3.68 0.28 -0.14 2.20 -0.92 -4.89 119.74 117.92 3cd6 s LYS 224 Ca -0.00 -1.67 0.02 0.00 -0.36 0.00 0.00 55.97 53.96 3cd6 s LYS 224 Cb 0.00 -5.45 -0.05 0.00 -1.51 0.00 0.00 37.83 30.82 3cd6 s LYS 224 CO 0.03 -2.50 0.09 0.14 -0.36 0.00 0.00 175.35 172.76 3cd6 s VAL 225 N 5.39 0.71 0.00 4.02 -7.23 -1.26 -5.01 120.40 117.02 3cd6 s VAL 225 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3cd6 s VAL 225 Cb 0.02 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.30 3cd6 s VAL 225 CO 0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3cd6 n GLY 226 N -0.54 0.48 3.40 2.32 0.00 -1.26 -4.61 105.19 104.98 3cd6 n GLY 226 Ca -0.01 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 3cd6 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cd6 s ASP 227 N -4.00 6.42 -0.20 1.61 1.01 -0.29 -4.99 116.67 116.23 3cd6 s ASP 227 Ca 0.00 -1.80 -0.29 0.00 0.71 0.00 0.00 52.55 51.17 3cd6 s ASP 227 Cb 0.00 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 3cd6 s ASP 227 CO 0.00 -1.04 1.73 -0.63 0.21 0.00 0.00 175.17 175.44 3cd6 s ILE 228 N 2.39 3.53 -1.64 0.77 1.01 -1.26 -1.06 121.20 124.94 3cd6 s ILE 228 Ca 0.20 0.60 -0.07 0.00 0.00 0.00 0.00 60.65 61.37 3cd6 s ILE 228 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.84 3cd6 s ILE 228 CO -0.01 -0.24 0.22 0.00 0.00 0.00 0.00 174.94 174.91 3cd6 n ALA 229 N 8.86 -1.76 -1.96 9.38 0.00 0.34 -4.88 120.51 130.48 3cd6 n ALA 229 Ca 0.20 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3cd6 n ALA 229 Cb 0.45 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3cd6 n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cd6 s SER 230 N -4.04 6.62 0.21 0.00 1.04 -1.25 -4.90 113.70 111.38 3cd6 s SER 230 Ca 0.26 2.58 0.11 0.00 0.48 0.00 0.00 55.95 59.38 3cd6 s SER 230 Cb -0.15 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.39 3cd6 s SER 230 CO 1.00 -0.80 1.41 0.11 0.98 0.00 0.00 173.24 175.94 3cd6 h LYS 231 N 6.72 0.00 -2.33 4.02 1.57 -1.97 -3.47 116.57 121.11 3cd6 h LYS 231 Ca -0.43 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3cd6 h LYS 231 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 3cd6 h LYS 231 CO 0.90 0.73 0.39 -0.98 -0.57 0.00 0.00 179.45 179.92 3cd6 s ARG 232 N -2.95 0.93 0.27 3.15 1.70 -1.26 -5.19 118.95 115.59 3cd6 s ARG 232 Ca 0.02 -0.21 0.03 0.00 -0.47 0.00 0.00 55.73 55.10 3cd6 s ARG 232 Cb 0.09 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.85 3cd6 s ARG 232 CO 0.78 -0.38 0.04 0.95 -1.08 0.00 0.00 175.30 175.60 3cd6 s THR 233 N -2.76 0.96 0.00 4.99 -4.23 -1.26 -5.12 115.64 108.22 3cd6 s THR 233 Ca 0.01 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3cd6 s THR 233 Cb -0.01 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3cd6 s THR 233 CO -0.06 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3cd6 n GLY 234 N -0.51 -2.81 0.60 3.99 0.00 -1.26 -4.90 105.19 100.30 3cd6 n GLY 234 Ca -0.03 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 3cd6 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd6 n ARG 235 N -0.55 0.27 -1.62 1.61 1.74 -1.26 -5.07 116.66 111.78 3cd6 n ARG 235 Ca 0.00 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.90 3cd6 n ARG 235 Cb 0.00 -0.95 0.15 0.00 -1.02 0.00 0.00 32.46 30.64 3cd6 n ARG 235 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3cd6 s GLY 236 N -5.02 1.62 0.00 -0.13 0.00 -1.26 -5.29 107.32 97.24 3cd6 s GLY 236 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3cd6 s GLY 236 CO 0.22 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82