#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6x s HIS 21 N 0.00 3.05 0.30 7.33 5.65 -1.26 -4.73 115.29 125.62 1p6x s HIS 21 Ca 0.00 1.11 -0.28 0.00 0.25 0.00 0.00 55.06 56.14 1p6x s HIS 21 Cb 0.00 -3.77 -0.09 0.00 -1.18 0.00 0.00 32.58 27.53 1p6x s HIS 21 CO 0.00 -2.45 1.09 1.41 -0.65 0.00 0.00 174.74 174.15 1p6x s MET 22 N -0.59 4.55 -0.05 2.88 -2.45 -1.26 -0.17 119.30 122.21 1p6x s MET 22 Ca 0.57 1.76 0.02 0.00 -1.25 0.00 0.00 55.69 56.79 1p6x s MET 22 Cb -0.41 -3.07 0.01 0.00 1.25 0.00 0.00 34.83 32.61 1p6x s MET 22 CO 0.44 0.14 -0.08 0.08 1.05 0.00 0.00 175.02 176.65 1p6x s VAL 23 N -1.25 0.77 -0.11 10.11 1.01 0.29 -4.81 120.40 126.42 1p6x s VAL 23 Ca 0.47 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 1p6x s VAL 23 Cb -0.30 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1p6x s VAL 23 CO 0.39 0.27 0.56 -0.89 0.00 0.00 0.00 175.10 175.43 1p6x s THR 24 N 0.66 5.13 -0.06 3.92 2.01 -1.26 0.51 115.64 126.54 1p6x s THR 24 Ca -0.11 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1p6x s THR 24 Cb -0.14 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1p6x s THR 24 CO 0.01 0.28 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 1p6x s ILE 25 N 0.84 1.45 -0.23 1.82 1.01 -0.42 -1.11 121.20 124.56 1p6x s ILE 25 Ca 0.30 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1p6x s ILE 25 Cb -0.16 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1p6x s ILE 25 CO 0.13 0.42 0.10 -0.69 0.00 0.00 0.00 174.94 174.90 1p6x s VAL 26 N 0.27 4.77 -0.11 2.92 1.01 -0.77 -1.12 120.40 127.36 1p6x s VAL 26 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1p6x s VAL 26 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1p6x s VAL 26 CO 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.48 1p6x s ARG 27 N 1.16 3.27 -0.10 2.72 1.70 -1.26 -0.10 118.95 126.34 1p6x s ARG 27 Ca 0.05 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.86 1p6x s ARG 27 Cb -0.14 -2.84 0.02 0.00 -0.57 0.00 0.00 34.95 31.42 1p6x s ARG 27 CO 0.04 0.50 -0.14 0.42 -1.08 0.00 0.00 175.30 175.05 1p6x s ILE 28 N -0.34 1.37 -0.35 4.99 1.01 0.89 -2.51 121.20 126.26 1p6x s ILE 28 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1p6x s ILE 28 Cb -0.12 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1p6x s ILE 28 CO 0.02 0.41 0.23 -0.31 0.00 0.00 0.00 174.94 175.29 1p6x s TYR 29 N 1.00 3.22 -0.20 3.97 1.51 0.40 0.23 117.35 127.49 1p6x s TYR 29 Ca -0.07 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 1p6x s TYR 29 Cb -0.15 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1p6x s TYR 29 CO -0.01 -0.48 0.57 -0.51 -1.11 0.00 0.00 175.55 174.01 1p6x s LEU 30 N 1.66 4.14 0.20 -1.29 1.43 -0.04 -0.36 118.68 124.43 1p6x s LEU 30 Ca 0.05 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1p6x s LEU 30 Cb -0.18 -2.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1p6x s LEU 30 CO 0.09 -0.23 0.06 -0.62 0.23 0.00 0.00 176.35 175.88 1p6x s ASP 31 N 1.19 0.92 0.00 2.29 -1.08 0.49 -0.17 116.67 120.32 1p6x s ASP 31 Ca 0.26 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1p6x s ASP 31 Cb -0.16 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1p6x s ASP 31 CO 0.10 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.71 1p6x n GLY 32 N -0.31 -0.04 3.77 2.66 0.00 -1.26 0.27 105.19 110.28 1p6x n GLY 32 Ca -0.03 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 1p6x n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6x s VAL 33 N -2.54 3.37 0.47 1.61 1.01 -1.26 -4.96 120.40 118.10 1p6x s VAL 33 Ca 0.00 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1p6x s VAL 33 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 1p6x s VAL 33 CO 0.00 0.14 1.42 -0.72 0.00 0.00 0.00 175.10 175.94 1p6x s TYR 34 N -1.41 2.42 0.00 5.22 -0.85 -1.26 -3.25 117.35 118.22 1p6x s TYR 34 Ca 0.54 1.27 0.00 0.00 -0.52 0.00 0.00 57.07 58.36 1p6x s TYR 34 Cb -0.29 -3.91 0.00 0.00 0.38 0.00 0.00 41.96 38.14 1p6x s TYR 34 CO 0.37 -2.97 0.00 0.41 -1.52 0.00 0.00 175.55 171.84 1p6x n GLY 35 N 0.60 0.69 0.23 5.49 0.00 -1.26 -4.95 105.19 105.99 1p6x n GLY 35 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1p6x n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1p6x h ILE 36 N 0.00 0.00 0.00 -0.61 2.04 -1.87 -3.38 117.51 113.69 1p6x h ILE 36 Ca 0.00 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1p6x h ILE 36 Cb 0.00 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1p6x h ILE 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1p6x n GLY 37 N 0.95 1.57 0.17 5.37 0.00 -1.26 -4.91 105.19 107.08 1p6x n GLY 37 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1p6x n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p6x h LYS 38 N 0.43 -0.28 -0.76 1.61 3.64 -1.91 -1.80 116.57 117.49 1p6x h LYS 38 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1p6x h LYS 38 Cb 0.00 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1p6x h LYS 38 CO 0.00 -0.18 0.36 0.77 -2.27 0.00 0.00 179.45 178.13 1p6x h SER 39 N -0.29 1.00 -0.42 4.20 0.02 -1.96 0.65 113.55 116.75 1p6x h SER 39 Ca 0.01 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1p6x h SER 39 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1p6x h SER 39 CO -0.04 0.86 0.05 0.74 -1.14 0.00 0.00 176.83 177.30 1p6x h THR 40 N 1.08 1.25 -0.08 -2.27 2.02 -1.99 -1.06 112.91 111.86 1p6x h THR 40 Ca 0.26 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1p6x h THR 40 Cb 0.12 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1p6x h THR 40 CO -0.03 0.31 -0.07 0.74 0.37 0.00 0.00 175.52 176.84 1p6x h THR 41 N 0.55 0.78 -0.91 3.16 2.02 -0.83 -2.05 112.91 115.62 1p6x h THR 41 Ca 0.12 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.36 1p6x h THR 41 Cb 0.40 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1p6x h THR 41 CO 0.01 0.00 0.58 1.23 0.37 0.00 0.00 175.52 177.71 1p6x h GLY 42 N -0.09 1.38 1.07 2.16 0.00 -0.72 -0.95 103.07 105.91 1p6x h GLY 42 Ca 0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1p6x h GLY 42 CO -0.14 0.30 0.18 3.21 0.00 0.00 0.00 176.54 180.09 1p6x h ARG 43 N 1.06 1.15 -0.54 4.80 3.08 -0.98 -2.04 114.38 120.91 1p6x h ARG 43 Ca 0.39 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1p6x h ARG 43 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1p6x h ARG 43 CO -0.17 1.01 0.05 0.28 -1.07 0.00 0.00 179.97 180.07 1p6x h VAL 44 N 1.09 1.26 -0.67 2.04 2.07 -0.79 -1.38 116.25 119.86 1p6x h VAL 44 Ca 0.23 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1p6x h VAL 44 Cb 0.37 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1p6x h VAL 44 CO 0.00 0.37 0.29 0.24 0.02 0.00 0.00 177.57 178.49 1p6x h MET 45 N 0.79 0.47 0.00 1.57 2.86 -0.91 -1.44 114.93 118.28 1p6x h MET 45 Ca 0.16 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1p6x h MET 45 Cb 0.47 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1p6x h MET 45 CO 0.02 0.31 -0.33 0.00 1.06 0.00 0.00 176.91 177.97 1p6x h ALA 46 N 1.44 1.02 -2.82 6.32 0.00 -1.00 -3.43 119.26 120.80 1p6x h ALA 46 Ca 0.34 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1p6x h ALA 46 Cb 0.41 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 18.22 1p6x h ALA 46 CO -0.31 0.41 0.72 0.45 0.00 0.00 0.00 179.25 180.52 1p6x s SER 47 N -6.39 6.66 0.51 0.00 0.15 -0.54 -4.61 113.70 109.48 1p6x s SER 47 Ca 0.00 2.72 0.20 0.00 0.70 0.00 0.00 55.95 59.57 1p6x s SER 47 Cb 0.11 -2.64 1.30 0.00 -1.71 0.00 0.00 66.02 63.08 1p6x s SER 47 CO 0.67 -0.66 2.06 0.00 1.20 0.00 0.00 173.24 176.51 1p6x h ALA 48 N 4.19 2.23 -0.03 5.45 0.00 -1.86 -2.46 119.26 126.78 1p6x h ALA 48 Ca -0.48 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1p6x h ALA 48 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1p6x h ALA 48 CO 0.72 -0.31 0.04 0.00 0.00 0.00 0.00 179.25 179.69 1p6x h ALA 49 N 1.84 1.52 -0.00 0.00 0.00 -1.91 -0.42 119.26 120.29 1p6x h ALA 49 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1p6x h ALA 49 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1p6x h ALA 49 CO -0.01 -0.06 -0.05 -1.13 0.00 0.00 0.00 179.25 178.00 1p6x n SER 50 N -3.74 0.21 0.00 0.00 3.41 -0.92 -5.01 113.62 107.57 1p6x n SER 50 Ca -0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1p6x n SER 50 Cb 0.13 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1p6x n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p6x n GLY 51 N 1.27 1.73 7.00 5.00 0.00 -0.17 -4.94 105.19 115.08 1p6x n GLY 51 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1p6x n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6x n GLY 52 N 0.00 2.97 3.80 -0.02 0.00 -1.26 -4.72 105.19 105.96 1p6x n GLY 52 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1p6x n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p6x s SER 53 N -4.00 7.15 0.17 1.61 0.15 -1.26 -5.01 113.70 112.50 1p6x s SER 53 Ca 0.00 1.55 -0.33 0.00 0.70 0.00 0.00 55.95 57.87 1p6x s SER 53 Cb 0.00 -2.47 -0.13 0.00 -1.71 0.00 0.00 66.02 61.71 1p6x s SER 53 CO 0.00 0.00 1.66 -2.65 1.20 0.00 0.00 173.24 173.45 1p6x n PRO 54 N 0.69 2.42 -4.31 5.44 -0.02 -1.26 -4.78 135.00 133.18 1p6x n PRO 54 Ca -0.01 0.87 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 1p6x n PRO 54 Cb 0.51 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1p6x n PRO 54 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1p6x s THR 55 N 1.22 0.67 -0.09 3.45 2.01 -1.26 -1.14 115.64 120.50 1p6x s THR 55 Ca 0.78 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.47 1p6x s THR 55 Cb -0.60 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1p6x s THR 55 CO 0.36 0.22 0.02 -0.76 -0.69 0.00 0.00 174.62 173.77 1p6x s LEU 56 N 0.28 3.66 -0.09 4.42 1.43 0.10 -4.63 118.68 123.86 1p6x s LEU 56 Ca -0.04 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1p6x s LEU 56 Cb -0.09 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1p6x s LEU 56 CO 0.00 0.38 -0.23 -0.47 0.23 0.00 0.00 176.35 176.26 1p6x s TYR 57 N -0.91 2.45 -0.36 0.29 5.04 -1.26 -0.52 117.35 122.09 1p6x s TYR 57 Ca 0.14 -0.96 -0.05 0.00 -2.44 0.00 0.00 57.07 53.75 1p6x s TYR 57 Cb -0.11 -1.64 0.06 0.00 0.35 0.00 0.00 41.96 40.62 1p6x s TYR 57 CO 0.03 -0.38 0.13 -0.06 -1.34 0.00 0.00 175.55 173.92 1p6x s PHE 58 N 0.30 3.33 0.95 4.97 0.40 -0.38 -4.84 117.98 122.71 1p6x s PHE 58 Ca -0.17 -1.73 -0.12 0.00 -0.60 0.00 0.00 56.93 54.31 1p6x s PHE 58 Cb -0.17 -2.53 0.16 0.00 0.51 0.00 0.00 43.02 40.98 1p6x s PHE 58 CO 0.08 -0.81 1.10 -1.25 0.70 0.00 0.00 175.22 175.03 1p6x s PRO 59 N 1.32 0.82 0.32 0.24 0.04 -1.26 -0.68 135.00 135.80 1p6x s PRO 59 Ca 0.00 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 1p6x s PRO 59 Cb -0.21 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1p6x s PRO 59 CO 0.00 -2.48 1.13 0.39 0.04 0.00 0.00 177.00 176.09 1p6x n GLU 60 N -4.01 1.69 -0.98 4.56 1.02 -1.26 -4.66 120.64 117.00 1p6x n GLU 60 Ca 0.06 0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 57.52 1p6x n GLU 60 Cb 0.57 -2.06 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1p6x n GLU 60 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1p6x n PRO 61 N 0.62 2.68 -0.19 3.49 -0.04 -1.26 -4.73 135.00 135.57 1p6x n PRO 61 Ca 0.07 -1.65 -0.03 0.00 -0.04 0.00 0.00 63.50 61.85 1p6x n PRO 61 Cb 0.34 -2.50 0.07 0.00 -0.04 0.00 0.00 33.50 31.37 1p6x n PRO 61 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1p6x h MET 62 N 5.31 0.53 -0.21 0.54 4.05 -1.89 -1.44 114.93 121.82 1p6x h MET 62 Ca 0.60 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.90 1p6x h MET 62 Cb 0.38 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1p6x h MET 62 CO 1.39 0.35 -0.25 0.00 0.23 0.00 0.00 176.91 178.63 1p6x h ALA 63 N 1.32 1.19 -0.47 0.39 0.00 -1.34 0.15 119.26 120.50 1p6x h ALA 63 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1p6x h ALA 63 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1p6x h ALA 63 CO -0.19 0.52 0.11 -0.92 0.00 0.00 0.00 179.25 178.77 1p6x h TYR 64 N 0.34 0.80 -0.54 0.00 3.20 -1.57 0.26 116.97 119.47 1p6x h TYR 64 Ca 0.05 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1p6x h TYR 64 Cb 0.63 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1p6x h TYR 64 CO 0.02 0.73 -0.04 -1.49 -1.64 0.00 0.00 178.16 175.74 1p6x h TRP 65 N 0.64 1.05 0.00 -3.82 6.55 -0.96 -3.40 115.95 116.01 1p6x h TRP 65 Ca 0.15 -0.18 -0.16 0.00 0.95 0.00 0.00 58.89 59.65 1p6x h TRP 65 Cb 0.34 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 1p6x h TRP 65 CO 0.02 0.95 -1.59 0.54 -1.05 0.00 0.00 178.44 177.32 1p6x n ARG 66 N -4.18 0.25 -0.00 0.49 1.74 0.01 -1.35 116.66 113.62 1p6x n ARG 66 Ca 0.02 0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1p6x n ARG 66 Cb 0.35 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 1p6x n ARG 66 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p6x n THR 67 N -2.93 0.00 0.16 0.55 -2.24 -0.17 -4.33 114.28 105.33 1p6x n THR 67 Ca -0.19 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1p6x n THR 67 Cb 0.68 0.53 0.28 0.00 -2.10 0.00 0.00 70.33 69.72 1p6x n THR 67 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1p6x h LEU 68 N 0.00 0.00-10.15 3.22 3.38 -0.77 -3.46 115.31 107.53 1p6x h LEU 68 Ca 0.00 -0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1p6x h LEU 68 Cb 0.05 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.69 1p6x h LEU 68 CO 0.00 0.48 -0.46 -0.36 0.09 0.00 0.00 178.44 178.18 1p6x s PHE 69 N -3.96 1.71 0.17 1.13 0.08 -1.26 -5.06 117.98 110.79 1p6x s PHE 69 Ca -0.02 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 55.92 1p6x s PHE 69 Cb 0.14 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 41.03 1p6x s PHE 69 CO 0.74 0.07 1.75 0.93 -0.10 0.00 0.00 175.22 178.61 1p6x h GLU 70 N 1.18 0.86 -5.89 0.44 5.08 -1.94 -3.44 114.58 110.87 1p6x h GLU 70 Ca -0.43 -0.14 -0.61 0.00 -1.00 0.00 0.00 59.36 57.18 1p6x h GLU 70 Cb 1.32 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1p6x h GLU 70 CO 0.70 0.71 -0.25 0.99 -1.00 0.00 0.00 179.01 180.17 1p6x s THR 71 N -5.64 5.13 -0.49 1.13 2.01 -1.26 -5.06 115.64 111.46 1p6x s THR 71 Ca -0.13 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 1p6x s THR 71 Cb 0.13 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 69.02 1p6x s THR 71 CO 0.79 0.55 0.59 -0.62 -0.69 0.00 0.00 174.62 175.24 1p6x s ASP 72 N -0.82 6.22 0.46 3.53 -1.08 -1.26 -4.68 116.67 119.04 1p6x s ASP 72 Ca 0.22 -0.87 0.19 0.00 -0.52 0.00 0.00 52.55 51.57 1p6x s ASP 72 Cb -0.16 -2.28 1.12 0.00 -1.46 0.00 0.00 42.92 40.14 1p6x s ASP 72 CO 0.11 -0.83 1.99 -0.37 0.52 0.00 0.00 175.17 176.59 1p6x h VAL 73 N 5.84 0.94 -0.01 1.11 -1.51 -1.53 0.24 116.25 121.32 1p6x h VAL 73 Ca -0.27 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 1p6x h VAL 73 Cb 1.10 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1p6x h VAL 73 CO 0.93 0.19 -0.03 0.40 -1.23 0.00 0.00 177.57 177.83 1p6x h ILE 74 N 0.00 1.46 -0.89 7.19 2.04 -1.93 -0.60 117.51 124.77 1p6x h ILE 74 Ca -0.00 -1.41 0.02 0.00 1.00 0.00 0.00 64.86 64.47 1p6x h ILE 74 Cb 0.40 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1p6x h ILE 74 CO 0.03 0.37 0.59 0.28 0.00 0.00 0.00 178.15 179.41 1p6x h SER 75 N -0.52 0.99 -0.34 1.72 0.02 -1.89 -2.74 113.55 110.79 1p6x h SER 75 Ca -0.00 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1p6x h SER 75 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1p6x h SER 75 CO 0.01 0.70 0.02 1.23 -1.14 0.00 0.00 176.83 177.65 1p6x h GLY 76 N 1.17 0.63 1.10 -3.77 0.00 -0.45 0.34 103.07 102.09 1p6x h GLY 76 Ca 0.34 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 1p6x h GLY 76 CO -0.10 0.41 -0.25 1.19 0.00 0.00 0.00 176.54 177.80 1p6x h ILE 77 N 0.40 1.27 -0.22 2.60 2.10 -1.04 0.13 117.51 122.75 1p6x h ILE 77 Ca 0.10 -1.41 -0.19 0.00 1.08 0.00 0.00 64.86 64.44 1p6x h ILE 77 Cb 0.42 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1p6x h ILE 77 CO 0.01 0.48 -0.60 1.88 -1.08 0.00 0.00 178.15 178.84 1p6x h TYR 78 N 0.80 0.94 0.00 2.19 -1.99 -1.44 -3.21 116.97 114.27 1p6x h TYR 78 Ca 0.10 -0.36 -0.08 0.00 2.00 0.00 0.00 58.73 60.39 1p6x h TYR 78 Cb 0.83 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1p6x h TYR 78 CO 0.06 1.15 -0.36 0.22 -0.00 0.00 0.00 178.16 179.23 1p6x h ASP 79 N 0.55 0.00 -0.44 3.88 3.58 -0.19 -2.97 116.42 120.83 1p6x h ASP 79 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1p6x h ASP 79 Cb 1.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 1p6x h ASP 79 CO 0.12 0.36 0.27 0.74 -2.88 0.00 0.00 179.24 177.85 1p6x h THR 80 N 0.00 1.14 -0.36 2.25 2.02 -0.97 -1.80 112.91 115.20 1p6x h THR 80 Ca -0.00 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1p6x h THR 80 Cb 0.69 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1p6x h THR 80 CO 0.05 0.14 -0.02 1.56 0.37 0.00 0.00 175.52 177.62 1p6x h GLN 81 N 0.58 0.57 -0.30 6.66 1.08 -1.57 -2.16 115.11 119.97 1p6x h GLN 81 Ca 0.16 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1p6x h GLN 81 Cb -0.01 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1p6x h GLN 81 CO -0.03 0.61 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.45 1p6x h ASN 82 N 0.54 0.60 0.03 1.46 2.35 -1.42 -1.95 115.58 117.21 1p6x h ASN 82 Ca 0.11 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1p6x h ASN 82 Cb 0.37 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1p6x h ASN 82 CO 0.01 0.85 -0.03 0.03 -1.65 0.00 0.00 177.43 176.64 1p6x h ARG 83 N 0.36 0.00 0.02 0.81 3.08 -1.12 -2.42 114.38 115.11 1p6x h ARG 83 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1p6x h ARG 83 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1p6x h ARG 83 CO 0.03 0.03 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.73 1p6x h LYS 84 N 0.00 -0.03 -0.62 0.04 3.64 -1.22 -1.68 116.57 116.70 1p6x h LYS 84 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p6x h LYS 84 Cb 0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1p6x h LYS 84 CO 0.00 0.70 0.40 1.96 -2.27 0.00 0.00 179.45 180.25 1p6x h GLN 85 N -0.88 0.82 0.07 1.90 4.20 -1.28 -2.99 115.11 116.96 1p6x h GLN 85 Ca -0.00 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 1p6x h GLN 85 Cb 0.74 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.36 1p6x h GLN 85 CO 0.01 0.55 -0.73 1.96 -0.67 0.00 0.00 178.83 179.95 1p6x h GLN 86 N 0.85 0.37 0.00 1.46 7.50 -1.56 -3.49 115.11 120.23 1p6x h GLN 86 Ca 0.23 -0.49 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1p6x h GLN 86 Cb -0.09 0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1p6x h GLN 86 CO -0.05 1.18 0.00 0.41 -1.50 0.00 0.00 178.83 178.87 1p6x n GLY 87 N 1.36 1.99 0.56 3.46 0.00 -1.00 -5.01 105.19 106.55 1p6x n GLY 87 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1p6x n GLY 87 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p6x n ASN 88 N 0.00 1.95 -3.71 1.61 2.85 -0.67 -4.87 115.26 112.43 1p6x n ASN 88 Ca 0.00 -1.50 -0.13 0.00 -0.11 0.00 0.00 54.58 52.84 1p6x n ASN 88 Cb 0.00 0.18 -0.14 0.00 1.24 0.00 0.00 39.78 41.07 1p6x n ASN 88 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1p6x s LEU 89 N -2.26 0.22 0.61 1.20 2.96 -0.98 -5.01 118.68 115.42 1p6x s LEU 89 Ca 0.26 0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 54.48 1p6x s LEU 89 Cb 0.19 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 1p6x s LEU 89 CO 0.44 -0.19 1.21 0.00 -1.32 0.00 0.00 176.35 176.49 1p6x s ALA 90 N 1.66 2.48 0.18 5.97 0.00 -1.26 -4.24 121.76 126.55 1p6x s ALA 90 Ca -0.05 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1p6x s ALA 90 Cb -0.11 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.71 1p6x s ALA 90 CO -0.08 -1.28 1.78 0.28 0.00 0.00 0.00 175.76 176.46 1p6x h VAL 91 N 0.70 0.93 -0.24 0.00 2.07 -1.98 0.86 116.25 118.58 1p6x h VAL 91 Ca -0.50 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1p6x h VAL 91 Cb 1.30 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1p6x h VAL 91 CO 0.54 0.09 0.09 0.44 0.02 0.00 0.00 177.57 178.76 1p6x h ASP 92 N 0.48 0.12 -0.64 0.57 3.32 -2.00 -1.20 116.42 117.07 1p6x h ASP 92 Ca 0.24 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1p6x h ASP 92 Cb 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1p6x h ASP 92 CO -0.18 0.10 0.17 0.44 -1.72 0.00 0.00 179.24 178.05 1p6x h ASP 93 N 0.21 0.97 -0.43 6.45 3.45 -1.86 -2.91 116.42 122.31 1p6x h ASP 93 Ca 0.10 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1p6x h ASP 93 Cb 0.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1p6x h ASP 93 CO -0.10 0.94 0.22 0.00 -1.57 0.00 0.00 179.24 178.74 1p6x h ALA 94 N 1.06 0.55 -0.61 3.45 0.00 -0.54 -0.23 119.26 122.94 1p6x h ALA 94 Ca 0.20 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1p6x h ALA 94 Cb 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1p6x h ALA 94 CO -0.00 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.61 1p6x h ALA 95 N 1.07 0.80 -0.48 0.00 0.00 -1.15 0.12 119.26 119.62 1p6x h ALA 95 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1p6x h ALA 95 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1p6x h ALA 95 CO -0.02 -0.12 0.10 -0.07 0.00 0.00 0.00 179.25 179.13 1p6x h LEU 96 N 0.49 0.75 -0.82 0.00 3.38 -1.26 -2.22 115.31 115.63 1p6x h LEU 96 Ca 0.29 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1p6x h LEU 96 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1p6x h LEU 96 CO -0.25 0.81 -0.32 0.40 0.09 0.00 0.00 178.44 179.17 1p6x h ILE 97 N 0.66 1.28 -0.48 1.22 2.04 -0.42 -2.34 117.51 119.47 1p6x h ILE 97 Ca 0.15 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1p6x h ILE 97 Cb 0.36 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1p6x h ILE 97 CO 0.01 0.44 0.20 0.74 0.00 0.00 0.00 178.15 179.54 1p6x h THR 98 N 0.44 1.21 -0.75 -0.27 2.02 -0.67 -1.37 112.91 113.52 1p6x h THR 98 Ca 0.05 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1p6x h THR 98 Cb 0.77 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1p6x h THR 98 CO 0.06 0.24 0.35 0.00 0.37 0.00 0.00 175.52 176.54 1p6x h ALA 99 N 1.05 0.97 -0.53 6.16 0.00 -1.23 -0.54 119.26 125.14 1p6x h ALA 99 Ca 0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1p6x h ALA 99 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1p6x h ALA 99 CO -0.01 0.54 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 1p6x h HIS 100 N 1.06 1.01 -0.60 0.00 6.17 -0.99 -0.13 115.15 121.67 1p6x h HIS 100 Ca 0.26 -0.17 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 1p6x h HIS 100 Cb 0.13 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.77 1p6x h HIS 100 CO 0.01 0.93 0.29 1.88 0.71 0.00 0.00 177.93 181.74 1p6x h TYR 101 N 0.85 0.87 -0.45 5.26 0.99 -0.82 -1.53 116.97 122.14 1p6x h TYR 101 Ca 0.15 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1p6x h TYR 101 Cb 0.55 -0.27 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1p6x h TYR 101 CO 0.03 0.66 0.20 0.37 -0.00 0.00 0.00 178.16 179.43 1p6x h GLN 102 N 0.82 0.63 -0.44 4.88 5.75 -0.62 -1.42 115.11 124.72 1p6x h GLN 102 Ca 0.21 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1p6x h GLN 102 Cb 0.12 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1p6x h GLN 102 CO -0.03 0.51 0.24 0.77 -2.65 0.00 0.00 178.83 177.67 1p6x h SER 103 N 0.63 0.55 0.44 -0.69 0.02 -0.39 -2.77 113.55 111.35 1p6x h SER 103 Ca 0.16 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1p6x h SER 103 Cb 0.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1p6x h SER 103 CO -0.02 0.48 -0.20 0.03 -1.14 0.00 0.00 176.83 175.98 1p6x h ARG 104 N 0.58 0.00 -0.63 3.45 3.08 -0.30 -1.74 114.38 118.82 1p6x h ARG 104 Ca 0.16 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1p6x h ARG 104 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1p6x h ARG 104 CO -0.03 0.20 0.41 0.74 -1.07 0.00 0.00 179.97 180.23 1p6x h PHE 105 N 0.00 0.76 0.00 3.04 -1.00 -1.07 -3.10 116.94 115.56 1p6x h PHE 105 Ca -0.00 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.68 1p6x h PHE 105 Cb 0.48 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1p6x h PHE 105 CO 0.00 0.46 -0.55 1.79 -1.61 0.00 0.00 178.31 178.40 1p6x h THR 106 N 0.81 1.14 -0.21 -1.55 1.35 -1.36 -3.38 112.91 109.71 1p6x h THR 106 Ca 0.24 -2.09 0.05 0.00 -0.55 0.00 0.00 66.41 64.06 1p6x h THR 106 Cb -0.03 2.21 -0.07 0.00 -1.73 0.00 0.00 68.15 68.53 1p6x h THR 106 CO -0.06 0.54 -0.46 0.74 -0.25 0.00 0.00 175.52 176.03 1p6x h THR 107 N 0.00 0.09 0.00 6.82 2.02 -1.55 -0.20 112.91 120.09 1p6x h THR 107 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1p6x h THR 107 Cb 1.17 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1p6x h THR 107 CO 0.07 0.00 -0.16 1.55 0.37 0.00 0.00 175.52 177.35 1p6x h PRO 108 N -0.47 0.00 -0.30 6.66 0.13 -1.80 -1.30 132.00 134.91 1p6x h PRO 108 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 1p6x h PRO 108 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1p6x h PRO 108 CO -0.46 0.16 -0.35 1.88 -0.23 0.00 0.00 178.00 179.00 1p6x h TYR 109 N 0.00 0.94 -0.68 1.56 0.05 -1.43 -1.21 116.97 116.20 1p6x h TYR 109 Ca -0.00 -0.29 -0.07 0.00 0.05 0.00 0.00 58.73 58.41 1p6x h TYR 109 Cb 0.41 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1p6x h TYR 109 CO 0.00 1.07 0.15 -0.07 -1.05 0.00 0.00 178.16 178.26 1p6x h LEU 110 N 0.54 1.05 -0.33 3.88 3.38 -0.45 0.00 115.31 123.38 1p6x h LEU 110 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1p6x h LEU 110 Cb 0.93 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1p6x h LEU 110 CO 0.08 1.02 0.10 0.40 0.09 0.00 0.00 178.44 180.14 1p6x h ILE 111 N 1.03 1.21 -0.44 1.22 2.04 -1.26 -1.39 117.51 119.91 1p6x h ILE 111 Ca 0.21 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1p6x h ILE 111 Cb 0.39 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1p6x h ILE 111 CO 0.01 0.23 0.06 0.25 0.00 0.00 0.00 178.15 178.69 1p6x h LEU 112 N 0.37 0.72 -0.60 1.44 5.85 -1.09 -1.74 115.31 120.25 1p6x h LEU 112 Ca 0.11 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1p6x h LEU 112 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1p6x h LEU 112 CO -0.00 0.81 0.38 -0.74 -0.34 0.00 0.00 178.44 178.55 1p6x h HIS 113 N 0.60 0.78 -0.69 1.25 2.76 -0.91 -0.22 115.15 118.72 1p6x h HIS 113 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1p6x h HIS 113 Cb 0.41 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1p6x h HIS 113 CO 0.03 0.52 0.33 -0.44 -1.30 0.00 0.00 177.93 177.06 1p6x h ASP 114 N 0.82 0.90 -0.16 3.26 3.32 -1.14 -0.79 116.42 122.63 1p6x h ASP 114 Ca 0.22 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1p6x h ASP 114 Cb -0.05 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1p6x h ASP 114 CO -0.04 0.78 -0.06 -0.74 -1.72 0.00 0.00 179.24 177.46 1p6x h HIS 115 N 0.96 0.38 0.00 4.55 2.76 -1.02 -3.34 115.15 119.43 1p6x h HIS 115 Ca 0.24 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 1p6x h HIS 115 Cb 0.12 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1p6x h HIS 115 CO 0.01 0.63 -0.74 1.79 -1.30 0.00 0.00 177.93 178.32 1p6x h THR 116 N 0.02 0.78 0.00 6.26 1.35 -0.85 -3.32 112.91 117.15 1p6x h THR 116 Ca 0.04 -2.17 -0.02 0.00 -0.55 0.00 0.00 66.41 63.71 1p6x h THR 116 Cb 0.52 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1p6x h THR 116 CO 0.02 0.44 -0.11 0.00 -0.25 0.00 0.00 175.52 175.62 1p6x n THR 118 N -3.62 0.78 0.27 0.00 -2.24 -1.25 -3.85 114.28 104.36 1p6x n THR 118 Ca -0.02 0.19 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1p6x n THR 118 Cb 0.23 -0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 67.50 1p6x n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p6x n LEU 119 N -1.49 0.27 0.18 3.22 4.77 -0.00 -4.64 117.00 119.31 1p6x n LEU 119 Ca 0.04 -0.29 0.03 0.00 -0.03 0.00 0.00 56.01 55.76 1p6x n LEU 119 Cb 0.20 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.61 1p6x n LEU 119 CO 0.16 0.07 0.66 -0.26 -1.33 0.00 0.00 177.39 176.69 1p6x h PHE 120 N 0.00 0.00 -0.45 -1.77 0.05 -1.66 -3.43 116.94 109.69 1p6x h PHE 120 Ca 0.00 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.84 1p6x h PHE 120 Cb 0.33 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.27 1p6x h PHE 120 CO 0.00 0.43 -0.07 0.41 -0.18 0.00 0.00 178.31 178.90 1p6x n GLY 121 N -0.06 -2.20 0.00 -1.45 0.00 -1.26 -3.87 105.19 96.35 1p6x n GLY 121 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1p6x n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6x n GLY 122 N -1.38 3.40 3.77 -0.02 0.00 -1.20 -4.66 105.19 105.10 1p6x n GLY 122 Ca 0.00 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 1p6x n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p6x n ASN 123 N 0.00 -3.67 -4.74 1.61 3.02 -1.26 -0.87 115.26 109.35 1p6x n ASN 123 Ca 0.00 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1p6x n ASN 123 Cb 0.00 -4.19 -0.02 0.00 -0.61 0.00 0.00 39.78 34.96 1p6x n ASN 123 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1p6x s SER 124 N -3.72 6.36 0.05 6.41 0.15 -1.26 -4.31 113.70 117.38 1p6x s SER 124 Ca 0.40 2.93 -0.23 0.00 0.70 0.00 0.00 55.95 59.75 1p6x s SER 124 Cb -0.19 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1p6x s SER 124 CO 0.80 -0.95 0.54 -0.22 1.20 0.00 0.00 173.24 174.61 1p6x s LEU 125 N 0.24 -0.17 -0.83 3.45 2.96 -0.56 -4.96 118.68 118.81 1p6x s LEU 125 Ca 0.69 0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.57 1p6x s LEU 125 Cb -0.49 2.21 0.09 0.00 0.50 0.00 0.00 46.19 48.49 1p6x s LEU 125 CO 0.41 -0.74 1.14 -1.10 -1.32 0.00 0.00 176.35 174.74 1p6x s GLN 126 N -2.52 3.39 0.24 1.98 -0.21 -1.26 -0.84 119.66 120.43 1p6x s GLN 126 Ca -0.05 -1.18 0.17 0.00 0.02 0.00 0.00 55.36 54.32 1p6x s GLN 126 Cb -0.01 -4.68 0.04 0.00 1.00 0.00 0.00 33.01 29.36 1p6x s GLN 126 CO -0.02 -1.90 1.27 0.00 -2.12 0.00 0.00 175.29 172.52 1p6x h ARG 127 N 9.37 0.00 0.00 2.91 3.08 -1.87 -3.48 114.38 124.40 1p6x h ARG 127 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p6x h ARG 127 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1p6x h ARG 127 CO 1.21 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 180.86 1p6x n GLY 128 N 1.25 2.59 3.94 0.04 0.00 -1.24 -4.99 105.19 106.77 1p6x n GLY 128 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1p6x n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p6x s THR 129 N -1.26 2.84 0.15 2.61 -4.23 -1.26 -4.51 115.64 109.98 1p6x s THR 129 Ca 0.00 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 1p6x s THR 129 Cb 0.00 -3.14 -0.07 0.00 1.34 0.00 0.00 72.50 70.63 1p6x s THR 129 CO 0.00 -0.13 1.11 -1.58 -0.54 0.00 0.00 174.62 173.48 1p6x s GLN 130 N -4.99 4.56 0.92 3.99 2.00 -1.26 -4.77 119.66 120.12 1p6x s GLN 130 Ca 0.57 1.71 -0.12 0.00 -2.00 0.00 0.00 55.36 55.51 1p6x s GLN 130 Cb -0.11 -3.30 0.14 0.00 0.80 0.00 0.00 33.01 30.55 1p6x s GLN 130 CO 0.42 0.01 1.12 -1.25 -0.50 0.00 0.00 175.29 175.10 1p6x s PRO 131 N -0.04 1.04 0.18 1.67 0.04 -1.26 -4.95 135.00 131.68 1p6x s PRO 131 Ca 0.51 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 1p6x s PRO 131 Cb -0.29 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1p6x s PRO 131 CO 0.33 -2.28 1.52 -0.44 0.04 0.00 0.00 177.00 176.17 1p6x h ASP 132 N -1.56 0.78 -5.11 6.66 3.32 -1.50 -3.47 116.42 115.53 1p6x h ASP 132 Ca -0.51 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.11 1p6x h ASP 132 Cb 1.33 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 1p6x h ASP 132 CO 0.61 1.10 -0.17 -1.48 -1.72 0.00 0.00 179.24 177.58 1p6x s LEU 133 N -8.64 0.73 -0.03 1.55 -0.00 -0.92 -4.37 118.68 107.01 1p6x s LEU 133 Ca -0.09 -0.46 0.07 0.00 -0.00 0.00 0.00 54.13 53.65 1p6x s LEU 133 Cb 0.12 1.57 -0.02 0.00 -0.00 0.00 0.00 46.19 47.86 1p6x s LEU 133 CO 0.85 -0.83 -0.25 -0.89 -0.00 0.00 0.00 176.35 175.23 1p6x s THR 134 N -3.84 2.00 -0.11 5.48 2.01 -0.30 -1.85 115.64 119.03 1p6x s THR 134 Ca 0.05 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1p6x s THR 134 Cb 0.03 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1p6x s THR 134 CO -0.10 0.56 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.54 1p6x s LEU 135 N -0.49 3.01 -0.18 4.42 1.43 0.86 -0.72 118.68 127.01 1p6x s LEU 135 Ca 0.07 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1p6x s LEU 135 Cb -0.11 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.48 1p6x s LEU 135 CO 0.00 0.25 -0.10 -0.69 0.23 0.00 0.00 176.35 176.04 1p6x s VAL 136 N -0.14 1.51 -0.15 -1.59 1.01 0.33 -0.08 120.40 121.28 1p6x s VAL 136 Ca 0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1p6x s VAL 136 Cb -0.13 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1p6x s VAL 136 CO 0.03 0.21 0.26 -0.36 0.00 0.00 0.00 175.10 175.24 1p6x s PHE 137 N 1.47 3.48 -0.67 5.22 0.40 0.14 -1.26 117.98 126.76 1p6x s PHE 137 Ca 0.00 0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 56.63 1p6x s PHE 137 Cb -0.15 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.14 1p6x s PHE 137 CO -0.08 0.32 1.21 0.34 0.70 0.00 0.00 175.22 177.70 1p6x s ASP 138 N 0.22 6.27 0.13 1.36 -1.08 0.14 -0.86 116.67 122.84 1p6x s ASP 138 Ca 0.15 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1p6x s ASP 138 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1p6x s ASP 138 CO 0.03 -1.66 0.00 0.54 0.52 0.00 0.00 175.17 174.60 1p6x n ARG 139 N 8.86 -0.79 -4.03 4.34 1.74 0.76 -4.39 116.66 123.15 1p6x n ARG 139 Ca 0.04 0.63 -0.24 0.00 -0.77 0.00 0.00 57.85 57.51 1p6x n ARG 139 Cb 0.49 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.06 1p6x n ARG 139 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1p6x s HIS 140 N -3.87 3.30 0.62 -1.55 5.65 -1.26 -4.73 115.29 113.45 1p6x s HIS 140 Ca 0.00 0.00 0.25 0.00 0.25 0.00 0.00 55.06 55.56 1p6x s HIS 140 Cb 0.00 -1.54 1.23 0.00 -1.18 0.00 0.00 32.58 31.09 1p6x s HIS 140 CO 0.00 0.50 1.68 -1.35 -0.65 0.00 0.00 174.74 174.92 1p6x h PRO 141 N 1.87 0.00 -0.02 2.88 0.11 -1.96 -1.13 132.00 133.76 1p6x h PRO 141 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p6x h PRO 141 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p6x h PRO 141 CO 0.64 0.00 0.02 -0.24 -0.21 0.00 0.00 178.00 178.20 1p6x h VAL 142 N 0.00 0.65 -0.03 3.15 3.04 -1.95 -1.52 116.25 119.59 1p6x h VAL 142 Ca 0.18 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1p6x h VAL 142 Cb 1.48 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1p6x h VAL 142 CO -0.00 0.00 0.01 0.00 -1.01 0.00 0.00 177.57 176.57 1p6x h ALA 143 N 1.98 0.03 0.00 3.17 0.00 -1.60 -0.61 119.26 122.24 1p6x h ALA 143 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1p6x h ALA 143 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p6x h ALA 143 CO -0.00 -0.40 -1.01 0.66 0.00 0.00 0.00 179.25 178.50 1p6x h SER 144 N -0.09 0.00 0.31 0.00 4.64 -1.67 -1.25 113.55 115.49 1p6x h SER 144 Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1p6x h SER 144 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1p6x h SER 144 CO -0.00 0.10 -1.75 0.35 -0.87 0.00 0.00 176.83 174.66 1p6x n THR 145 N -2.74 0.46 0.07 2.95 -2.24 -0.60 -4.49 114.28 107.69 1p6x n THR 145 Ca -0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1p6x n THR 145 Cb 0.60 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1p6x n THR 145 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p6x n VAL 146 N -2.49 0.70 0.19 2.28 0.31 -0.41 -2.69 118.33 116.21 1p6x n VAL 146 Ca -0.07 0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 64.35 1p6x n VAL 146 Cb 0.67 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 1p6x n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p6x h PHE 148 N -0.70 0.76 -0.68 0.00 -1.00 -1.49 -0.53 116.94 113.30 1p6x h PHE 148 Ca -0.05 -0.18 0.07 0.00 2.81 0.00 0.00 57.97 60.63 1p6x h PHE 148 Cb 0.49 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 1p6x h PHE 148 CO -0.00 0.86 0.36 -1.35 -1.61 0.00 0.00 178.31 176.57 1p6x h PRO 149 N 0.43 0.62 -0.38 1.51 0.11 -1.79 -0.90 132.00 131.61 1p6x h PRO 149 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1p6x h PRO 149 Cb 0.65 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1p6x h PRO 149 CO 0.04 0.41 0.25 0.00 -0.21 0.00 0.00 178.00 178.49 1p6x h ALA 150 N 1.38 0.48 -0.18 -0.75 0.00 -0.58 -0.53 119.26 119.08 1p6x h ALA 150 Ca 0.32 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1p6x h ALA 150 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1p6x h ALA 150 CO -0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 179.25 178.90 1p6x h ALA 151 N 1.13 0.08 -0.92 0.00 0.00 -0.75 0.79 119.26 119.58 1p6x h ALA 151 Ca 0.14 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1p6x h ALA 151 Cb -0.04 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1p6x h ALA 151 CO -0.03 -0.51 0.59 0.00 0.00 0.00 0.00 179.25 179.30 1p6x h ARG 152 N -0.05 1.07 -0.39 0.00 2.47 -0.95 -1.53 114.38 115.01 1p6x h ARG 152 Ca 0.10 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1p6x h ARG 152 Cb 0.20 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1p6x h ARG 152 CO -0.22 0.71 0.18 -0.92 0.56 0.00 0.00 179.97 180.28 1p6x h TYR 153 N 1.10 0.56 -0.22 3.04 3.20 -0.55 0.40 116.97 124.51 1p6x h TYR 153 Ca 0.39 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1p6x h TYR 153 Cb 0.10 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1p6x h TYR 153 CO -0.02 0.48 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.85 1p6x h LEU 154 N 0.48 0.32 -0.12 2.82 3.38 -0.35 -2.34 115.31 119.50 1p6x h LEU 154 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1p6x h LEU 154 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1p6x h LEU 154 CO -0.02 0.44 -0.06 0.18 0.09 0.00 0.00 178.44 179.07 1p6x n LEU 155 N -4.29 0.25 0.00 1.67 4.77 -0.62 -4.89 117.00 113.89 1p6x n LEU 155 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1p6x n LEU 155 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1p6x n LEU 155 CO 0.38 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1p6x n GLY 156 N 1.27 0.46 0.00 -0.72 0.00 -0.88 -4.94 105.19 100.38 1p6x n GLY 156 Ca 0.15 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1p6x n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p6x n ASP 157 N 1.57 0.52 -3.56 1.61 8.00 0.09 -4.94 116.55 119.84 1p6x n ASP 157 Ca 0.00 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.13 1p6x n ASP 157 Cb 0.00 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1p6x n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p6x s MET 158 N -3.01 1.35 0.67 -1.24 0.23 -1.19 -4.30 119.30 111.80 1p6x s MET 158 Ca 0.11 -0.64 -0.06 0.00 -1.03 0.00 0.00 55.69 54.07 1p6x s MET 158 Cb 0.17 0.57 0.05 0.00 -1.53 0.00 0.00 34.83 34.09 1p6x s MET 158 CO 0.71 -0.59 0.97 -1.54 -2.03 0.00 0.00 175.02 172.54 1p6x s SER 159 N -2.80 5.02 0.29 -1.18 1.04 -1.26 -4.25 113.70 110.56 1p6x s SER 159 Ca 0.04 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 1p6x s SER 159 Cb -0.01 -1.21 0.43 0.00 0.10 0.00 0.00 66.02 65.32 1p6x s SER 159 CO -0.08 -1.44 1.93 -0.03 0.98 0.00 0.00 173.24 174.60 1p6x h MET 160 N -0.44 1.12 -0.46 4.02 4.05 -1.99 -1.13 114.93 120.09 1p6x h MET 160 Ca -0.44 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 58.97 1p6x h MET 160 Cb 1.30 -0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 1p6x h MET 160 CO 0.60 0.74 0.16 0.00 0.23 0.00 0.00 176.91 178.63 1p6x h ALA 162 N 1.30 0.79 -0.16 0.00 0.00 -1.85 -1.84 119.26 117.51 1p6x h ALA 162 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p6x h ALA 162 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1p6x h ALA 162 CO -0.22 0.60 -0.02 1.25 0.00 0.00 0.00 179.25 180.85 1p6x h LEU 163 N 0.92 -0.11 -1.08 0.00 5.85 -0.30 -1.71 115.31 118.88 1p6x h LEU 163 Ca 0.17 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1p6x h LEU 163 Cb 0.51 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1p6x h LEU 163 CO 0.02 -0.03 0.62 0.24 -0.34 0.00 0.00 178.44 178.95 1p6x h MET 164 N 0.02 1.09 -0.82 1.25 2.86 -0.56 0.53 114.93 119.30 1p6x h MET 164 Ca 0.07 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1p6x h MET 164 Cb 0.10 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1p6x h MET 164 CO -0.15 0.72 0.41 0.00 1.06 0.00 0.00 176.91 178.96 1p6x h ALA 165 N 1.48 1.06 -0.12 6.32 0.00 -0.69 -1.03 119.26 126.27 1p6x h ALA 165 Ca 0.40 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1p6x h ALA 165 Cb 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1p6x h ALA 165 CO -0.15 0.61 -0.65 0.52 0.00 0.00 0.00 179.25 179.58 1p6x h MET 166 N 1.16 0.66 -0.76 0.00 2.86 -0.57 -3.32 114.93 114.97 1p6x h MET 166 Ca 0.28 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1p6x h MET 166 Cb 0.09 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1p6x h MET 166 CO -0.04 1.16 0.42 0.28 1.06 0.00 0.00 176.91 179.79 1p6x h VAL 167 N 0.33 1.23 -0.45 -2.22 2.07 -0.70 -1.49 116.25 115.01 1p6x h VAL 167 Ca -0.05 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.06 1p6x h VAL 167 Cb 1.29 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1p6x h VAL 167 CO 0.13 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.37 1p6x h ALA 168 N 1.22 2.26 -0.01 1.67 0.00 -1.30 -1.93 119.26 121.17 1p6x h ALA 168 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1p6x h ALA 168 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p6x h ALA 168 CO -0.04 -0.63 -0.14 0.25 0.00 0.00 0.00 179.25 178.69 1p6x n THR 169 N -4.01 0.00 -1.67 0.00 -2.24 -0.56 -4.87 114.28 100.93 1p6x n THR 169 Ca 0.08 -0.12 -0.48 0.00 -2.27 0.00 0.00 64.05 61.26 1p6x n THR 169 Cb 0.59 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1p6x n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1p6x n LEU 170 N -0.61 3.22 -4.81 3.22 7.94 -0.73 -4.95 117.00 120.27 1p6x n LEU 170 Ca 0.15 1.02 -0.34 0.00 -1.11 0.00 0.00 56.01 55.73 1p6x n LEU 170 Cb 0.31 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 1p6x n LEU 170 CO 0.23 -0.19 0.62 -2.16 -1.11 0.00 0.00 177.39 174.78 1p6x s PRO 171 N 2.69 4.34 0.20 1.96 0.04 -1.26 -5.01 135.00 137.96 1p6x s PRO 171 Ca 0.87 1.15 -0.32 0.00 0.04 0.00 0.00 61.00 62.74 1p6x s PRO 171 Cb -0.71 -2.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 1p6x s PRO 171 CO 0.46 0.11 1.65 0.50 0.04 0.00 0.00 177.00 179.76 1p6x s ARG 172 N -2.73 4.16 -0.16 4.56 3.52 -1.26 -4.94 118.95 122.10 1p6x s ARG 172 Ca 0.57 2.51 -0.29 0.00 -0.13 0.00 0.00 55.73 58.39 1p6x s ARG 172 Cb -0.13 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1p6x s ARG 172 CO 0.17 -0.68 1.05 -2.00 -0.81 0.00 0.00 175.30 173.03 1p6x s GLU 173 N 0.98 4.33 0.98 5.12 2.56 -1.15 -5.05 118.70 126.47 1p6x s GLU 173 Ca 0.72 1.41 -0.12 0.00 0.00 0.00 0.00 54.97 56.97 1p6x s GLU 173 Cb -0.47 -3.60 0.18 0.00 2.00 0.00 0.00 34.13 32.23 1p6x s GLU 173 CO 0.33 -0.50 1.10 -1.25 -0.56 0.00 0.00 175.26 174.39 1p6x s PRO 174 N 2.68 0.58 0.44 4.30 0.04 -1.26 -4.48 135.00 137.29 1p6x s PRO 174 Ca 0.47 0.49 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 1p6x s PRO 174 Cb -0.17 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1p6x s PRO 174 CO 0.12 -2.62 1.16 0.00 0.04 0.00 0.00 177.00 175.70 1p6x n GLN 175 N -4.09 1.64 0.00 4.56 10.64 -1.26 -3.74 117.38 125.13 1p6x n GLN 175 Ca 0.05 0.59 0.00 0.00 -1.83 0.00 0.00 57.00 55.81 1p6x n GLN 175 Cb 0.57 -2.25 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 1p6x n GLN 175 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p6x n GLY 176 N 0.97 0.52 3.77 2.61 0.00 -1.26 -4.85 105.19 106.96 1p6x n GLY 176 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1p6x n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p6x s GLY 177 N -1.03 2.96 -0.06 -0.02 0.00 -1.08 -4.59 107.32 103.50 1p6x s GLY 177 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.17 1p6x s GLY 177 CO 0.00 2.08 -0.18 -1.31 0.00 0.00 0.00 173.10 173.69 1p6x s ASN 178 N -0.31 2.37 -0.08 1.64 0.01 -1.04 -0.86 114.94 116.66 1p6x s ASN 178 Ca 0.51 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1p6x s ASN 178 Cb -0.43 -0.85 -0.01 0.00 0.41 0.00 0.00 41.25 40.37 1p6x s ASN 178 CO 0.57 0.14 -0.20 -0.51 -1.51 0.00 0.00 177.10 175.59 1p6x s ILE 179 N 0.22 2.48 -0.26 0.60 2.07 -0.08 -0.45 121.20 125.78 1p6x s ILE 179 Ca -0.10 -0.90 0.01 0.00 -1.41 0.00 0.00 60.65 58.25 1p6x s ILE 179 Cb -0.14 -1.96 0.05 0.00 0.13 0.00 0.00 42.46 40.53 1p6x s ILE 179 CO 0.04 0.56 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.87 1p6x s VAL 180 N -0.05 2.53 -0.15 4.00 1.01 0.51 -0.85 120.40 127.42 1p6x s VAL 180 Ca -0.05 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 1p6x s VAL 180 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1p6x s VAL 180 CO 0.05 0.04 0.61 -0.69 0.00 0.00 0.00 175.10 175.11 1p6x s VAL 181 N 1.20 5.06 0.22 2.92 1.01 0.04 -0.38 120.40 130.48 1p6x s VAL 181 Ca -0.05 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.85 1p6x s VAL 181 Cb -0.19 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1p6x s VAL 181 CO -0.04 0.19 0.86 0.42 0.00 0.00 0.00 175.10 176.52 1p6x s THR 182 N 1.40 4.24 0.12 3.92 -4.23 0.14 -1.19 115.64 120.04 1p6x s THR 182 Ca 0.30 1.84 0.06 0.00 -1.18 0.00 0.00 61.69 62.71 1p6x s THR 182 Cb -0.16 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 1p6x s THR 182 CO 0.12 0.43 -0.14 0.42 -0.54 0.00 0.00 174.62 174.92 1p6x s THR 183 N -1.26 1.30 -0.28 3.99 -4.23 -0.06 -4.66 115.64 110.42 1p6x s THR 183 Ca 0.40 -1.69 -0.21 0.00 -1.18 0.00 0.00 61.69 59.01 1p6x s THR 183 Cb -0.23 -1.49 0.13 0.00 1.34 0.00 0.00 72.50 72.24 1p6x s THR 183 CO 0.28 -0.41 1.00 -0.22 -0.54 0.00 0.00 174.62 174.72 1p6x s LEU 184 N -2.41 -0.49 0.36 4.79 2.96 -1.26 -1.19 118.68 121.43 1p6x s LEU 184 Ca 0.08 0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 54.58 1p6x s LEU 184 Cb -0.05 1.84 -0.12 0.00 0.50 0.00 0.00 46.19 48.37 1p6x s LEU 184 CO 0.03 -0.14 1.39 -0.46 -1.32 0.00 0.00 176.35 175.84 1p6x n ASN 185 N 2.87 3.26 0.05 3.68 0.23 -1.26 -4.76 115.26 119.33 1p6x n ASN 185 Ca -0.15 1.22 0.03 0.00 -0.53 0.00 0.00 54.58 55.14 1p6x n ASN 185 Cb 0.57 -1.55 0.40 0.00 -2.08 0.00 0.00 39.78 37.11 1p6x n ASN 185 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1p6x h VAL 186 N 2.73 1.14 -0.16 3.53 3.04 -2.01 -1.60 116.25 122.93 1p6x h VAL 186 Ca -0.48 -0.48 -0.01 0.00 -1.01 0.00 0.00 66.70 64.72 1p6x h VAL 186 Cb 1.26 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1p6x h VAL 186 CO 0.63 0.17 0.08 -0.33 -1.01 0.00 0.00 177.57 177.11 1p6x h GLU 187 N 0.42 0.23 -0.44 4.17 3.07 -2.00 -0.44 114.58 119.59 1p6x h GLU 187 Ca 0.10 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 1p6x h GLU 187 Cb 0.15 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1p6x h GLU 187 CO -0.00 0.27 -0.13 1.49 -1.40 0.00 0.00 179.01 179.23 1p6x h GLU 188 N 0.13 0.80 -0.03 2.33 4.57 -1.86 -1.38 114.58 119.14 1p6x h GLU 188 Ca 0.05 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1p6x h GLU 188 Cb 0.12 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1p6x h GLU 188 CO -0.01 0.89 -0.21 1.25 -1.18 0.00 0.00 179.01 179.76 1p6x h HIS 189 N 0.72 -0.56 -0.61 0.92 2.76 -1.06 -0.48 115.15 116.83 1p6x h HIS 189 Ca 0.12 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1p6x h HIS 189 Cb 0.63 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1p6x h HIS 189 CO 0.03 -0.30 0.08 0.82 -1.30 0.00 0.00 177.93 177.27 1p6x h ILE 190 N -0.32 1.26 -0.26 6.26 1.08 -1.00 -1.65 117.51 122.88 1p6x h ILE 190 Ca 0.07 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 1p6x h ILE 190 Cb 0.41 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.79 1p6x h ILE 190 CO -0.21 0.38 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.30 1p6x h ARG 191 N 0.95 -0.22 -0.57 2.37 2.43 -1.04 0.22 114.38 118.52 1p6x h ARG 191 Ca 0.19 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1p6x h ARG 191 Cb 0.44 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1p6x h ARG 191 CO 0.01 -0.15 0.28 0.00 -1.51 0.00 0.00 179.97 178.60 1p6x h ARG 192 N -0.23 0.50 -0.92 0.20 3.08 -0.66 -0.87 114.38 115.49 1p6x h ARG 192 Ca 0.14 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1p6x h ARG 192 Cb 0.45 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1p6x h ARG 192 CO -0.40 0.33 0.60 -0.07 -1.07 0.00 0.00 179.97 179.37 1p6x h LEU 193 N 0.52 1.06 0.10 3.04 3.38 -0.90 -2.73 115.31 119.79 1p6x h LEU 193 Ca 0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1p6x h LEU 193 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1p6x h LEU 193 CO -0.20 0.78 -0.05 0.03 0.09 0.00 0.00 178.44 179.09 1p6x h ARG 194 N 1.25 -0.13 -0.74 1.13 2.47 0.52 -1.41 114.38 117.47 1p6x h ARG 194 Ca 0.34 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.14 1p6x h ARG 194 Cb -0.13 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.17 1p6x h ARG 194 CO -0.07 0.05 0.48 1.79 0.56 0.00 0.00 179.97 182.79 1p6x h THR 195 N -0.30 1.00 0.00 2.04 1.35 -1.21 -2.37 112.91 113.43 1p6x h THR 195 Ca -0.01 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.46 1p6x h THR 195 Cb 0.25 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1p6x h THR 195 CO 0.02 0.14 -0.64 -0.09 -0.25 0.00 0.00 175.52 174.70 1p6x h ARG 196 N 0.74 0.00 -7.29 4.72 2.43 -1.28 -3.46 114.38 110.24 1p6x h ARG 196 Ca 0.32 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.99 1p6x h ARG 196 Cb 0.31 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.93 1p6x h ARG 196 CO -0.11 0.64 0.38 0.00 -1.51 0.00 0.00 179.97 179.37 1p6x s ALA 197 N -3.50 2.85 1.04 2.80 0.00 -0.55 -5.07 121.76 119.33 1p6x s ALA 197 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1p6x s ALA 197 Cb 0.12 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.14 1p6x s ALA 197 CO 0.76 -0.85 0.19 0.54 0.00 0.00 0.00 175.76 176.40 1p6x n ARG 198 N -2.56 -1.34 -0.21 0.00 1.74 -1.26 -4.91 116.66 108.11 1p6x n ARG 198 Ca 0.07 -0.30 -0.04 0.00 -0.77 0.00 0.00 57.85 56.81 1p6x n ARG 198 Cb 0.54 -0.28 0.02 0.00 -1.02 0.00 0.00 32.46 31.71 1p6x n ARG 198 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1p6x h ILE 199 N -1.70 0.18 0.00 0.55 2.04 -1.97 -3.13 117.51 113.48 1p6x h ILE 199 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1p6x h ILE 199 Cb 0.22 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1p6x h ILE 199 CO 0.05 0.00 -0.26 0.61 0.00 0.00 0.00 178.15 178.54 1p6x n GLY 200 N -1.44 2.11 3.71 5.37 0.00 -1.26 -5.09 105.19 108.59 1p6x n GLY 200 Ca 0.05 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1p6x n GLY 200 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p6x n GLU 201 N -0.57 2.55 -1.79 1.61 2.13 -1.19 -4.99 120.64 118.39 1p6x n GLU 201 Ca 0.06 0.91 -0.32 0.00 0.66 0.00 0.00 57.16 58.48 1p6x n GLU 201 Cb 0.65 -2.71 0.03 0.00 0.27 0.00 0.00 31.44 29.69 1p6x n GLU 201 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6x s GLN 202 N 0.48 3.11 -0.09 5.31 -0.21 -1.26 -4.89 119.66 122.11 1p6x s GLN 202 Ca 0.72 1.07 0.05 0.00 0.02 0.00 0.00 55.36 57.21 1p6x s GLN 202 Cb -0.55 -2.01 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 1p6x s GLN 202 CO 0.40 -0.97 -0.24 0.42 -2.12 0.00 0.00 175.29 172.78 1p6x s ILE 203 N -2.77 2.07 -1.20 1.08 1.01 -1.26 -5.05 121.20 115.07 1p6x s ILE 203 Ca 0.61 -1.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 1p6x s ILE 203 Cb -0.15 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1p6x s ILE 203 CO 0.47 0.56 1.90 -0.62 0.00 0.00 0.00 174.94 177.25 1p6x s ASP 204 N 0.18 5.36 0.26 3.58 3.68 -1.26 -4.77 116.67 123.70 1p6x s ASP 204 Ca -0.14 -1.81 -0.05 0.00 2.13 0.00 0.00 52.55 52.68 1p6x s ASP 204 Cb -0.17 -2.59 0.30 0.00 -1.45 0.00 0.00 42.92 39.02 1p6x s ASP 204 CO 0.07 -2.73 1.93 0.40 0.13 0.00 0.00 175.17 174.97 1p6x h ILE 205 N 6.07 1.23 -0.56 4.11 1.08 -1.99 -1.73 117.51 125.72 1p6x h ILE 205 Ca 0.26 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1p6x h ILE 205 Cb 0.93 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1p6x h ILE 205 CO 1.27 0.24 0.26 0.74 -0.69 0.00 0.00 178.15 179.97 1p6x h THR 206 N 1.32 1.21 -0.35 -0.27 2.02 -1.94 -0.14 112.91 114.76 1p6x h THR 206 Ca 0.37 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1p6x h THR 206 Cb -0.11 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1p6x h THR 206 CO -0.09 0.24 0.18 0.25 0.37 0.00 0.00 175.52 176.47 1p6x h LEU 207 N 0.76 0.44 -0.43 2.58 5.85 -1.89 -2.28 115.31 120.34 1p6x h LEU 207 Ca 0.19 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1p6x h LEU 207 Cb 0.13 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1p6x h LEU 207 CO -0.02 0.42 0.21 0.40 -0.34 0.00 0.00 178.44 179.11 1p6x h ILE 208 N 0.43 1.18 -0.66 4.05 2.04 -1.06 -0.08 117.51 123.42 1p6x h ILE 208 Ca 0.12 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.56 1p6x h ILE 208 Cb 0.09 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1p6x h ILE 208 CO -0.02 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.63 1p6x h ALA 209 N 1.05 0.88 -0.22 1.87 0.00 -0.98 -0.06 119.26 121.80 1p6x h ALA 209 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1p6x h ALA 209 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p6x h ALA 209 CO -0.02 -0.09 -0.06 1.15 0.00 0.00 0.00 179.25 180.23 1p6x h THR 210 N 0.53 1.29 -0.72 0.00 2.02 -1.09 -2.62 112.91 112.31 1p6x h THR 210 Ca 0.32 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1p6x h THR 210 Cb 0.34 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1p6x h THR 210 CO -0.27 0.32 0.29 -0.07 0.37 0.00 0.00 175.52 176.16 1p6x h LEU 211 N 0.16 0.98 -0.49 2.58 3.38 -0.67 0.39 115.31 121.64 1p6x h LEU 211 Ca 0.06 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1p6x h LEU 211 Cb 0.51 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1p6x h LEU 211 CO 0.02 0.87 0.28 0.03 0.09 0.00 0.00 178.44 179.73 1p6x h ARG 212 N 1.04 0.53 -0.46 1.13 3.08 -0.97 -0.14 114.38 118.59 1p6x h ARG 212 Ca 0.24 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1p6x h ARG 212 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1p6x h ARG 212 CO -0.02 0.35 0.11 -0.91 -1.07 0.00 0.00 179.97 178.43 1p6x h ASN 213 N 0.55 0.71 -0.89 7.04 2.35 -0.98 -2.42 115.58 121.94 1p6x h ASN 213 Ca 0.21 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1p6x h ASN 213 Cb 0.06 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 1p6x h ASN 213 CO -0.11 0.76 0.56 0.58 -1.65 0.00 0.00 177.43 177.57 1p6x h VAL 214 N 0.62 1.06 -0.10 2.81 2.07 -0.52 0.13 116.25 122.33 1p6x h VAL 214 Ca 0.14 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1p6x h VAL 214 Cb 0.34 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1p6x h VAL 214 CO 0.00 0.19 -0.46 1.88 0.02 0.00 0.00 177.57 179.20 1p6x h TYR 215 N 1.03 0.28 -0.63 1.57 0.05 -0.95 0.24 116.97 118.57 1p6x h TYR 215 Ca 0.39 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.99 1p6x h TYR 215 Cb 0.15 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1p6x h TYR 215 CO -0.02 0.66 0.02 0.74 -1.05 0.00 0.00 178.16 178.51 1p6x h PHE 216 N 0.19 1.19 -0.76 4.88 0.05 -0.87 -1.38 116.94 120.23 1p6x h PHE 216 Ca 0.01 -0.20 0.07 0.00 3.82 0.00 0.00 57.97 61.67 1p6x h PHE 216 Cb 0.89 -0.31 -0.06 0.00 2.00 0.00 0.00 35.95 38.47 1p6x h PHE 216 CO 0.02 1.03 0.44 0.52 -0.18 0.00 0.00 178.31 180.14 1p6x h MET 217 N 1.00 0.78 0.23 1.51 2.86 -0.33 0.48 114.93 121.47 1p6x h MET 217 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1p6x h MET 217 Cb 0.54 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1p6x h MET 217 CO 0.03 0.51 -0.11 1.25 1.06 0.00 0.00 176.91 179.65 1p6x h LEU 218 N 0.80 -0.27 -0.43 1.22 5.85 -0.70 0.11 115.31 121.89 1p6x h LEU 218 Ca 0.34 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1p6x h LEU 218 Cb 0.21 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1p6x h LEU 218 CO -0.19 -0.17 0.05 0.58 -0.34 0.00 0.00 178.44 178.36 1p6x h VAL 219 N -0.33 0.72 -0.77 1.05 2.07 -1.01 -1.49 116.25 116.48 1p6x h VAL 219 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1p6x h VAL 219 Cb 0.26 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1p6x h VAL 219 CO 0.05 0.03 0.39 0.78 0.02 0.00 0.00 177.57 178.84 1p6x h ASN 220 N 0.16 0.98 -0.31 0.57 2.35 -0.70 -2.01 115.58 116.63 1p6x h ASN 220 Ca 0.22 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1p6x h ASN 220 Cb 0.29 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1p6x h ASN 220 CO -0.32 0.82 0.14 0.74 -1.65 0.00 0.00 177.43 177.16 1p6x h THR 221 N 1.09 0.97 -0.44 2.81 2.02 -0.10 0.14 112.91 119.40 1p6x h THR 221 Ca 0.27 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 1p6x h THR 221 Cb 0.08 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1p6x h THR 221 CO -0.04 0.05 0.10 0.00 0.37 0.00 0.00 175.52 176.01 1p6x h HIS 223 N 0.59 0.34 -0.37 0.00 -0.00 -1.25 -1.41 115.15 113.05 1p6x h HIS 223 Ca 0.14 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1p6x h HIS 223 Cb 0.33 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 1p6x h HIS 223 CO 0.02 0.17 0.12 0.35 -0.00 0.00 0.00 177.93 178.59 1p6x h PHE 224 N 0.38 0.22 -0.14 2.45 3.57 -0.36 -2.10 116.94 120.96 1p6x h PHE 224 Ca 0.18 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1p6x h PHE 224 Cb 0.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1p6x h PHE 224 CO -0.11 0.08 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.59 1p6x h LEU 225 N 0.27 0.33 -0.96 0.59 3.38 -0.85 -2.98 115.31 115.09 1p6x h LEU 225 Ca 0.17 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1p6x h LEU 225 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1p6x h LEU 225 CO -0.18 0.69 -0.51 -0.09 0.09 0.00 0.00 178.44 178.45 1p6x h ARG 226 N 0.26 0.03 0.00 1.13 9.65 -0.90 -1.51 114.38 123.04 1p6x h ARG 226 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1p6x h ARG 226 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1p6x h ARG 226 CO 0.06 0.53 0.00 -1.13 2.80 0.00 0.00 179.97 182.24 1p6x n SER 227 N -3.94 0.00 0.00 -3.80 3.41 -0.82 -4.87 113.62 103.60 1p6x n SER 227 Ca -0.02 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1p6x n SER 227 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1p6x n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p6x n GLY 228 N 0.11 0.77 3.86 5.00 0.00 -0.57 -5.05 105.19 109.31 1p6x n GLY 228 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1p6x n GLY 228 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p6x s ARG 229 N -0.46 3.08 0.24 1.61 0.52 -1.13 -5.02 118.95 117.78 1p6x s ARG 229 Ca 0.00 0.70 0.06 0.00 -0.52 0.00 0.00 55.73 55.96 1p6x s ARG 229 Cb 0.00 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 1p6x s ARG 229 CO 0.00 -0.93 -0.06 0.14 0.02 0.00 0.00 175.30 174.47 1p6x s VAL 230 N -3.20 1.44 0.51 3.52 -7.23 -1.26 -4.40 120.40 109.78 1p6x s VAL 230 Ca 0.57 -2.11 0.24 0.00 -1.81 0.00 0.00 61.98 58.88 1p6x s VAL 230 Cb -0.12 -2.29 0.29 0.00 0.56 0.00 0.00 36.38 34.82 1p6x s VAL 230 CO 0.54 -0.40 2.14 4.11 -0.31 0.00 0.00 175.10 181.17 1p6x h TRP 231 N 2.43 0.00 0.00 2.82 5.08 -1.98 -0.23 115.95 124.07 1p6x h TRP 231 Ca -0.39 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.56 1p6x h TRP 231 Cb 1.22 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1p6x h TRP 231 CO 0.65 0.07 -0.10 0.00 -1.28 0.00 0.00 178.44 177.79 1p6x h ARG 232 N 0.00 0.00 -6.15 0.12 3.08 -2.00 -3.38 114.38 106.05 1p6x h ARG 232 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1p6x h ARG 232 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1p6x h ARG 232 CO 0.01 0.10 1.33 -0.51 -1.07 0.00 0.00 179.97 179.82 1p6x s ASP 233 N -5.91 5.65 0.00 7.04 1.01 -0.10 -1.79 116.67 122.57 1p6x s ASP 233 Ca -0.01 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.40 1p6x s ASP 233 Cb 0.11 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1p6x s ASP 233 CO 0.56 -1.93 0.00 0.61 0.21 0.00 0.00 175.17 174.62 1p6x n GLY 234 N 5.54 0.75 0.17 0.21 0.00 -1.26 -4.60 105.19 105.99 1p6x n GLY 234 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1p6x n GLY 234 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1p6x h TRP 235 N 0.00 0.56 -0.50 1.61 2.91 -1.53 -2.06 115.95 116.95 1p6x h TRP 235 Ca 0.00 -0.12 0.07 0.00 1.13 0.00 0.00 58.89 59.97 1p6x h TRP 235 Cb 0.00 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 28.46 1p6x h TRP 235 CO 0.00 0.71 0.18 0.78 -1.03 0.00 0.00 178.44 179.08 1p6x h GLY 236 N 0.25 0.66 2.00 2.65 0.00 -1.94 -2.72 103.07 103.99 1p6x h GLY 236 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1p6x h GLY 236 CO 0.03 0.01 0.00 0.83 0.00 0.00 0.00 176.54 177.41 1p6x h GLU 237 N 0.36 0.00 -6.76 4.80 3.07 -1.94 -3.46 114.58 110.66 1p6x h GLU 237 Ca 0.24 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.57 1p6x h GLU 237 Cb 0.25 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.23 1p6x h GLU 237 CO -0.24 0.00 0.86 -1.17 -1.40 0.00 0.00 179.01 177.06 1p6x s LEU 238 N -5.88 4.36 0.50 1.33 2.96 -0.78 -4.99 118.68 116.19 1p6x s LEU 238 Ca 0.06 2.83 -0.22 0.00 -0.22 0.00 0.00 54.13 56.58 1p6x s LEU 238 Cb 0.07 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 1p6x s LEU 238 CO 0.62 -0.85 1.25 -2.84 -1.32 0.00 0.00 176.35 173.21 1p6x s PRO 239 N -0.18 3.46 0.43 0.98 0.02 -1.26 -4.98 135.00 133.47 1p6x s PRO 239 Ca 0.64 1.96 -0.25 0.00 0.02 0.00 0.00 61.00 63.37 1p6x s PRO 239 Cb -0.46 -2.32 -0.08 0.00 0.02 0.00 0.00 34.50 31.66 1p6x s PRO 239 CO 0.44 -0.85 1.34 0.95 -0.33 0.00 0.00 177.00 178.55 1p6x s THR 240 N -1.45 2.44 -1.17 0.99 -4.23 -1.26 -4.93 115.64 106.03 1p6x s THR 240 Ca 0.68 0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 61.49 1p6x s THR 240 Cb -0.33 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.52 1p6x s THR 240 CO 0.40 0.05 1.47 -1.20 -0.54 0.00 0.00 174.62 174.80 1p6x n SER 241 N -0.09 5.61 0.00 3.99 7.64 0.24 -4.85 113.62 126.17 1p6x n SER 241 Ca 0.05 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1p6x n SER 241 Cb 0.43 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1p6x n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p6x h GLY 243 N 0.00 1.07 1.03 0.00 0.00 -2.00 -2.51 103.07 100.67 1p6x h GLY 243 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1p6x h GLY 243 CO 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 176.54 176.24 1p6x h ALA 244 N 1.44 0.47 -0.50 3.60 0.00 -1.94 -2.05 119.26 120.29 1p6x h ALA 244 Ca 0.36 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1p6x h ALA 244 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1p6x h ALA 244 CO -0.28 0.53 0.29 -0.92 0.00 0.00 0.00 179.25 178.87 1p6x h TYR 245 N 0.56 0.54 -0.77 0.00 3.20 -1.82 -1.31 116.97 117.36 1p6x h TYR 245 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1p6x h TYR 245 Cb 0.92 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 1p6x h TYR 245 CO 0.07 0.30 0.37 0.87 -1.64 0.00 0.00 178.16 178.13 1p6x h LYS 246 N 0.58 1.11 -0.24 1.82 1.57 -1.30 0.15 116.57 120.26 1p6x h LYS 246 Ca 0.20 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1p6x h LYS 246 Cb 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1p6x h LYS 246 CO -0.10 0.86 0.09 0.45 -0.57 0.00 0.00 179.45 180.18 1p6x h HIS 247 N 1.10 0.37 -0.83 -1.35 3.86 -0.96 -2.32 115.15 115.01 1p6x h HIS 247 Ca 0.27 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1p6x h HIS 247 Cb 0.12 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1p6x h HIS 247 CO 0.01 0.40 0.55 -0.09 0.86 0.00 0.00 177.93 179.66 1p6x h ARG 248 N 0.23 1.09 0.00 2.45 2.43 -0.73 -2.70 114.38 117.15 1p6x h ARG 248 Ca 0.08 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1p6x h ARG 248 Cb 0.19 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1p6x h ARG 248 CO -0.01 0.72 -0.29 0.00 -1.51 0.00 0.00 179.97 178.89 1p6x h ALA 249 N 1.48 1.12 -0.04 2.80 0.00 -0.57 -1.51 119.26 122.54 1p6x h ALA 249 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p6x h ALA 249 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1p6x h ALA 249 CO -0.07 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.79 1p6x n THR 250 N -3.61 0.02 -2.90 0.00 -2.24 -0.91 -4.38 114.28 100.26 1p6x n THR 250 Ca -0.01 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 1p6x n THR 250 Cb 0.42 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1p6x n THR 250 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1p6x s GLN 251 N -1.98 4.36 0.14 -0.78 0.74 -0.57 -4.33 119.66 117.25 1p6x s GLN 251 Ca 0.35 1.05 -0.35 0.00 0.05 0.00 0.00 55.36 56.45 1p6x s GLN 251 Cb 0.21 -3.53 -0.15 0.00 1.10 0.00 0.00 33.01 30.64 1p6x s GLN 251 CO 0.32 -0.20 1.51 -0.12 -0.55 0.00 0.00 175.29 176.24 1p6x n MET 252 N 4.73 1.85 -1.43 1.67 0.00 -1.26 -1.74 117.12 120.94 1p6x n MET 252 Ca 0.03 0.67 -0.15 0.00 -0.00 0.00 0.00 57.70 58.25 1p6x n MET 252 Cb 0.50 -2.40 -0.06 0.00 0.00 0.00 0.00 33.22 31.26 1p6x n MET 252 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1p6x n ASP 253 N 3.14 -5.40 0.18 6.12 8.00 -1.26 -4.89 116.55 122.45 1p6x n ASP 253 Ca 0.17 0.36 0.03 0.00 0.71 0.00 0.00 54.79 56.07 1p6x n ASP 253 Cb 0.26 -4.19 0.34 0.00 -0.02 0.00 0.00 41.12 37.51 1p6x n ASP 253 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p6x h ALA 254 N 0.00 1.22 -2.61 2.24 0.00 -1.63 -3.43 119.26 115.05 1p6x h ALA 254 Ca -0.30 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.64 1p6x h ALA 254 Cb 1.17 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1p6x h ALA 254 CO 0.44 0.51 -0.69 -0.06 0.00 0.00 0.00 179.25 179.45 1p6x s PHE 255 N -3.96 2.64 0.22 0.00 0.40 -1.26 -5.11 117.98 110.91 1p6x s PHE 255 Ca -0.02 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 55.93 1p6x s PHE 255 Cb 0.13 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.45 1p6x s PHE 255 CO 0.72 0.57 0.49 1.14 0.70 0.00 0.00 175.22 178.84 1p6x s GLN 256 N -3.23 1.44 0.03 0.44 -2.07 -1.26 -4.88 119.66 110.13 1p6x s GLN 256 Ca 0.28 -1.06 -0.30 0.00 -1.82 0.00 0.00 55.36 52.46 1p6x s GLN 256 Cb -0.08 0.49 -0.06 0.00 -1.09 0.00 0.00 33.01 32.27 1p6x s GLN 256 CO 0.17 -0.60 1.38 -2.00 -1.32 0.00 0.00 175.29 172.92 1p6x s GLU 257 N -3.94 4.31 -0.12 9.60 2.12 -1.26 -4.84 118.70 124.56 1p6x s GLU 257 Ca 0.15 1.97 -0.07 0.00 0.36 0.00 0.00 54.97 57.38 1p6x s GLU 257 Cb -0.01 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1p6x s GLU 257 CO 0.03 -0.51 0.13 1.03 -0.54 0.00 0.00 175.26 175.40 1p6x s ARG 258 N 1.96 3.48 0.07 4.30 1.81 -1.26 -5.00 118.95 124.31 1p6x s ARG 258 Ca 0.63 -0.16 -0.33 0.00 -1.72 0.00 0.00 55.73 54.15 1p6x s ARG 258 Cb -0.32 -3.18 -0.19 0.00 -0.45 0.00 0.00 34.95 30.80 1p6x s ARG 258 CO 0.28 0.73 1.60 -0.39 -0.68 0.00 0.00 175.30 176.84 1p6x h VAL 259 N 4.06 0.30 -3.25 3.52 -1.51 -2.02 -3.38 116.25 113.96 1p6x h VAL 259 Ca -0.53 -0.02 -0.63 0.00 -1.23 0.00 0.00 66.70 64.29 1p6x h VAL 259 Cb 1.22 0.30 -0.41 0.00 -2.13 0.00 0.00 31.29 30.28 1p6x h VAL 259 CO 0.59 0.00 -0.66 -0.44 -1.23 0.00 0.00 177.57 175.84 1p6x s SER 260 N -4.36 4.13 0.34 4.19 0.01 -1.26 -5.05 113.70 111.71 1p6x s SER 260 Ca -0.18 -2.95 -0.26 0.00 1.31 0.00 0.00 55.95 53.86 1p6x s SER 260 Cb 0.03 -1.46 -0.09 0.00 0.21 0.00 0.00 66.02 64.70 1p6x s SER 260 CO 0.61 -0.23 1.04 -2.16 0.41 0.00 0.00 173.24 172.91 1p6x s PRO 261 N -0.18 4.42 0.50 12.44 0.04 -1.26 -5.06 135.00 145.91 1p6x s PRO 261 Ca 0.18 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1p6x s PRO 261 Cb -0.24 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1p6x s PRO 261 CO -0.01 0.07 0.38 -1.21 0.04 0.00 0.00 177.00 176.28 1p6x s GLU 262 N -2.01 2.31 0.31 4.56 2.02 -1.26 -4.84 118.70 119.78 1p6x s GLU 262 Ca 0.51 -1.89 0.07 0.00 0.02 0.00 0.00 54.97 53.68 1p6x s GLU 262 Cb -0.25 -2.16 0.79 0.00 0.10 0.00 0.00 34.13 32.62 1p6x s GLU 262 CO 0.32 -0.48 1.75 1.25 0.02 0.00 0.00 175.26 178.12 1p6x h LEU 263 N 0.87 0.71 -0.13 1.80 5.85 -1.93 0.97 115.31 123.46 1p6x h LEU 263 Ca -0.38 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1p6x h LEU 263 Cb 1.29 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1p6x h LEU 263 CO 0.58 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 179.48 1p6x n GLY 264 N -1.32 -0.90 0.24 3.75 0.00 -1.26 -1.58 105.19 104.12 1p6x n GLY 264 Ca 0.25 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1p6x n GLY 264 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p6x n ASP 265 N -1.60 1.11 -4.84 1.61 8.00 0.34 -4.91 116.55 116.25 1p6x n ASP 265 Ca 0.02 -0.90 -0.23 0.00 0.71 0.00 0.00 54.79 54.39 1p6x n ASP 265 Cb 0.13 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1p6x n ASP 265 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1p6x s THR 266 N -2.59 2.34 0.51 -3.53 -4.23 -0.61 -4.22 115.64 103.30 1p6x s THR 266 Ca 0.21 -1.48 0.26 0.00 -1.18 0.00 0.00 61.69 59.51 1p6x s THR 266 Cb 0.19 -2.82 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1p6x s THR 266 CO 0.57 0.00 2.16 -0.07 -0.54 0.00 0.00 174.62 176.74 1p6x h LEU 267 N 1.08 0.00 -1.12 4.79 3.38 -1.85 -3.06 115.31 118.53 1p6x h LEU 267 Ca -0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1p6x h LEU 267 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1p6x h LEU 267 CO 0.61 0.06 0.17 -0.26 0.09 0.00 0.00 178.44 179.11 1p6x h PHE 268 N 0.00 0.80 -0.95 1.13 0.04 -1.93 -3.13 116.94 112.90 1p6x h PHE 268 Ca -0.00 -0.06 0.14 0.00 2.80 0.00 0.00 57.97 60.86 1p6x h PHE 268 Cb 0.16 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.99 1p6x h PHE 268 CO 0.00 0.65 0.60 0.00 -0.60 0.00 0.00 178.31 178.96 1p6x h ALA 269 N 1.42 1.71 0.00 2.45 0.00 -1.69 -1.35 119.26 121.80 1p6x h ALA 269 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p6x h ALA 269 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p6x h ALA 269 CO -0.01 0.03 0.00 1.37 0.00 0.00 0.00 179.25 180.64 1p6x h LEU 270 N 0.81 0.00 -0.00 0.00 8.10 -1.76 -2.62 115.31 119.84 1p6x h LEU 270 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.48 1p6x h LEU 270 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1p6x h LEU 270 CO -0.25 0.00 0.00 0.49 -4.11 0.00 0.00 178.44 174.57 1p6x n PHE 271 N -3.01 0.56 -2.25 0.17 3.72 -0.51 -4.29 117.46 111.85 1p6x n PHE 271 Ca -0.01 0.16 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 1p6x n PHE 271 Cb 0.19 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 1p6x n PHE 271 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1p6x n LYS 272 N -1.96 3.17 -4.31 -1.08 4.81 -0.99 -4.80 118.16 113.01 1p6x n LYS 272 Ca 0.06 -3.14 -0.21 0.00 -0.87 0.00 0.00 58.31 54.15 1p6x n LYS 272 Cb 0.39 -3.24 -0.11 0.00 0.02 0.00 0.00 35.03 32.09 1p6x n LYS 272 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1p6x s THR 273 N 2.69 1.73 0.31 3.15 -4.23 -1.26 0.82 115.64 118.83 1p6x s THR 273 Ca 0.47 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1p6x s THR 273 Cb 0.08 -1.77 0.30 0.00 1.34 0.00 0.00 72.50 72.45 1p6x s THR 273 CO -0.01 -0.32 1.78 1.56 -0.54 0.00 0.00 174.62 177.08 1p6x h GLN 274 N 3.34 0.73 -0.50 3.99 1.08 -1.91 -0.74 115.11 121.08 1p6x h GLN 274 Ca -0.42 -0.04 0.15 0.00 -1.45 0.00 0.00 58.65 56.88 1p6x h GLN 274 Cb 1.20 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1p6x h GLN 274 CO 0.50 0.48 0.69 1.49 -0.95 0.00 0.00 178.83 181.05 1p6x h GLU 275 N 0.75 0.00 -0.08 1.46 4.81 -1.97 0.30 114.58 119.86 1p6x h GLU 275 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1p6x h GLU 275 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1p6x h GLU 275 CO -0.38 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.18 1p6x n LEU 276 N -3.37 2.08 -4.79 1.64 4.77 -0.29 -5.01 117.00 112.04 1p6x n LEU 276 Ca 0.10 -1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 54.62 1p6x n LEU 276 Cb 0.88 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1p6x n LEU 276 CO 0.22 0.43 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.73 1p6x s LEU 277 N -0.90 3.75 0.00 2.23 1.43 0.09 -2.17 118.68 123.11 1p6x s LEU 277 Ca 0.14 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1p6x s LEU 277 Cb 0.09 -2.36 0.18 0.00 0.03 0.00 0.00 46.19 44.13 1p6x s LEU 277 CO 0.13 0.06 1.06 -0.90 0.23 0.00 0.00 176.35 176.93 1p6x n ASP 278 N -0.44 0.16 -0.24 2.29 5.68 0.01 -4.87 116.55 119.16 1p6x n ASP 278 Ca -0.08 -1.43 0.02 0.00 -0.50 0.00 0.00 54.79 52.79 1p6x n ASP 278 Cb 0.55 -0.80 0.14 0.00 -1.14 0.00 0.00 41.12 39.87 1p6x n ASP 278 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1p6x h ASP 279 N -1.34 0.39 0.00 -1.12 2.03 -1.97 -0.41 116.42 114.00 1p6x h ASP 279 Ca -0.34 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1p6x h ASP 279 Cb 0.96 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1p6x h ASP 279 CO 0.25 0.21 0.00 0.54 -1.03 0.00 0.00 179.24 179.21 1p6x n ARG 280 N -4.91 0.62 -0.95 4.15 1.74 -1.26 -4.84 116.66 111.20 1p6x n ARG 280 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1p6x n ARG 280 Cb 0.29 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1p6x n ARG 280 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p6x n GLY 281 N 0.19 0.51 3.77 -0.13 0.00 -0.16 -5.03 105.19 104.34 1p6x n GLY 281 Ca 0.09 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1p6x n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6x s VAL 282 N -2.00 5.08 0.25 1.61 1.01 -1.26 -4.76 120.40 120.33 1p6x s VAL 282 Ca 0.00 0.93 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 1p6x s VAL 282 Cb 0.00 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 1p6x s VAL 282 CO 0.00 0.44 1.50 0.00 0.00 0.00 0.00 175.10 177.04 1p6x n ILE 283 N 2.79 0.89 -1.84 2.22 3.06 -1.26 -0.80 119.36 124.42 1p6x n ILE 283 Ca -0.10 -0.22 -0.38 0.00 -2.50 0.00 0.00 62.75 59.55 1p6x n ILE 283 Cb 0.52 -1.68 0.04 0.00 0.54 0.00 0.00 39.64 39.06 1p6x n ILE 283 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1p6x s LEU 284 N -0.03 3.82 0.29 9.51 1.43 -0.92 -4.83 118.68 127.94 1p6x s LEU 284 Ca 0.67 2.68 -0.01 0.00 -1.03 0.00 0.00 54.13 56.44 1p6x s LEU 284 Cb -0.59 -4.34 0.42 0.00 0.03 0.00 0.00 46.19 41.71 1p6x s LEU 284 CO 0.48 -1.57 1.86 -0.33 0.23 0.00 0.00 176.35 177.02 1p6x h GLU 285 N 1.35 0.89 -0.72 1.70 4.39 -1.93 -0.87 114.58 119.39 1p6x h GLU 285 Ca -0.51 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.08 1p6x h GLU 285 Cb 1.30 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 1p6x h GLU 285 CO 0.57 0.73 0.47 -0.24 -1.16 0.00 0.00 179.01 179.38 1p6x h VAL 286 N 0.87 1.11 0.01 3.13 3.04 -1.99 0.13 116.25 122.56 1p6x h VAL 286 Ca 0.20 -0.30 -0.23 0.00 -1.01 0.00 0.00 66.70 65.36 1p6x h VAL 286 Cb 0.19 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1p6x h VAL 286 CO -0.02 0.16 -0.97 0.45 -1.01 0.00 0.00 177.57 176.18 1p6x h HIS 287 N 0.87 0.60 -0.87 3.17 3.86 -1.73 -2.53 115.15 118.52 1p6x h HIS 287 Ca 0.28 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1p6x h HIS 287 Cb 0.05 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 1p6x h HIS 287 CO -0.00 1.17 0.56 0.00 0.86 0.00 0.00 177.93 180.52 1p6x h ALA 288 N 0.72 1.35 -0.78 2.45 0.00 -0.39 -2.23 119.26 120.38 1p6x h ALA 288 Ca -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1p6x h ALA 288 Cb 1.61 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1p6x h ALA 288 CO 0.17 0.59 0.49 -1.49 0.00 0.00 0.00 179.25 179.00 1p6x h TRP 289 N 1.19 1.01 -0.96 0.00 6.55 -0.59 -0.46 115.95 122.69 1p6x h TRP 289 Ca 0.32 0.01 0.04 0.00 0.95 0.00 0.00 58.89 60.21 1p6x h TRP 289 Cb -0.11 -0.34 -0.06 0.00 -0.86 0.00 0.00 29.16 27.79 1p6x h TRP 289 CO 0.00 0.67 0.62 0.00 -1.05 0.00 0.00 178.44 178.68 1p6x h ALA 290 N 1.26 1.29 -0.26 1.49 0.00 -0.98 -0.11 119.26 121.95 1p6x h ALA 290 Ca 0.28 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1p6x h ALA 290 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1p6x h ALA 290 CO -0.06 0.48 -0.46 -0.07 0.00 0.00 0.00 179.25 179.14 1p6x h LEU 291 N 1.19 0.74 -0.51 0.00 3.38 -1.12 -1.13 115.31 117.86 1p6x h LEU 291 Ca 0.39 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1p6x h LEU 291 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1p6x h LEU 291 CO -0.14 1.09 0.32 0.44 0.09 0.00 0.00 178.44 180.24 1p6x h ASP 292 N 0.55 0.52 -0.37 -0.43 3.32 -0.65 -0.71 116.42 118.65 1p6x h ASP 292 Ca 0.03 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1p6x h ASP 292 Cb 1.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1p6x h ASP 292 CO 0.10 0.37 0.20 0.00 -1.72 0.00 0.00 179.24 178.19 1p6x h ALA 293 N 1.21 0.47 -0.31 3.45 0.00 -0.83 -1.45 119.26 121.81 1p6x h ALA 293 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1p6x h ALA 293 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1p6x h ALA 293 CO -0.08 -0.00 0.19 1.25 0.00 0.00 0.00 179.25 180.61 1p6x h LEU 294 N 0.47 0.32 -0.21 0.00 5.85 -0.93 -0.92 115.31 119.89 1p6x h LEU 294 Ca 0.13 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1p6x h LEU 294 Cb 0.05 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1p6x h LEU 294 CO -0.02 0.23 -0.11 -0.03 -0.34 0.00 0.00 178.44 178.17 1p6x h MET 295 N 0.39 -0.09 -0.10 1.25 4.05 -1.02 -2.72 114.93 116.69 1p6x h MET 295 Ca 0.12 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1p6x h MET 295 Cb -0.03 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1p6x h MET 295 CO -0.04 -0.06 -0.19 1.25 0.23 0.00 0.00 176.91 178.10 1p6x h LEU 296 N -0.10 0.16 -0.82 3.39 5.85 -0.69 -2.90 115.31 120.20 1p6x h LEU 296 Ca 0.11 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1p6x h LEU 296 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1p6x h LEU 296 CO -0.27 0.37 -0.23 0.11 -0.34 0.00 0.00 178.44 178.07 1p6x h LYS 297 N 0.16 0.00 0.00 1.25 1.57 -0.88 -3.05 116.57 115.61 1p6x h LYS 297 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1p6x h LYS 297 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1p6x h LYS 297 CO 0.03 0.23 -0.84 1.28 -0.57 0.00 0.00 179.45 179.59 1p6x n LEU 298 N -3.31 0.72 -0.22 2.94 4.77 -1.10 -2.93 117.00 117.88 1p6x n LEU 298 Ca 0.01 -0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 55.76 1p6x n LEU 298 Cb 0.49 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1p6x n LEU 298 CO 0.34 0.16 1.07 -0.09 -1.33 0.00 0.00 177.39 177.54 1p6x h ARG 299 N 0.00 0.60 -0.58 3.23 9.65 -1.41 -2.17 114.38 123.70 1p6x h ARG 299 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1p6x h ARG 299 Cb 0.55 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1p6x h ARG 299 CO 0.00 0.40 0.00 0.09 2.80 0.00 0.00 179.97 183.26 1p6x n ASN 300 N -4.83 0.95 -4.42 -3.80 3.02 -1.26 -4.70 115.26 100.22 1p6x n ASN 300 Ca 0.08 -2.05 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1p6x n ASN 300 Cb 0.18 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1p6x n ASN 300 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p6x s LEU 301 N -0.56 5.07 -0.41 3.41 1.43 -0.82 -2.62 118.68 124.18 1p6x s LEU 301 Ca 0.05 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 1p6x s LEU 301 Cb 0.03 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1p6x s LEU 301 CO 0.02 -0.46 1.06 0.21 0.23 0.00 0.00 176.35 177.41 1p6x s ASN 302 N 1.76 6.71 -0.09 2.29 3.04 -0.04 -4.85 114.94 123.76 1p6x s ASN 302 Ca 0.04 0.62 -0.09 0.00 0.04 0.00 0.00 52.86 53.47 1p6x s ASN 302 Cb -0.20 -2.52 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 1p6x s ASN 302 CO 0.09 -1.05 0.22 0.54 -3.04 0.00 0.00 177.10 173.85 1p6x s VAL 303 N 3.97 5.37 0.12 -5.21 0.11 -1.26 -0.90 120.40 122.60 1p6x s VAL 303 Ca 0.44 0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 59.84 1p6x s VAL 303 Cb -0.10 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1p6x s VAL 303 CO 0.24 0.60 0.11 -0.36 -3.33 0.00 0.00 175.10 172.36 1p6x s PHE 304 N -0.99 0.59 0.09 1.54 0.40 -0.03 -4.96 117.98 114.64 1p6x s PHE 304 Ca 0.17 -1.01 0.07 0.00 -0.60 0.00 0.00 56.93 55.56 1p6x s PHE 304 Cb -0.13 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 1p6x s PHE 304 CO 0.06 -0.54 -0.17 -1.54 0.70 0.00 0.00 175.22 173.73 1p6x s SER 305 N -2.98 2.13 -0.04 1.36 1.04 -1.26 -0.78 113.70 113.17 1p6x s SER 305 Ca 0.17 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1p6x s SER 305 Cb 0.06 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1p6x s SER 305 CO -0.03 -0.02 0.04 0.00 0.98 0.00 0.00 173.24 174.21 1p6x s ALA 306 N -1.35 0.30 0.17 5.32 0.00 -0.33 -4.88 121.76 120.97 1p6x s ALA 306 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1p6x s ALA 306 Cb -0.09 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.38 1p6x s ALA 306 CO 0.03 -0.40 1.12 0.34 0.00 0.00 0.00 175.76 176.85 1p6x s ASP 307 N 1.91 7.23 -0.31 0.00 2.15 -1.26 -0.88 116.67 125.51 1p6x s ASP 307 Ca 0.02 2.10 0.08 0.00 0.43 0.00 0.00 52.55 55.18 1p6x s ASP 307 Cb -0.12 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.38 1p6x s ASP 307 CO -0.03 -0.26 1.43 0.18 -0.17 0.00 0.00 175.17 176.32 1p6x n LEU 308 N 2.52 4.28 0.20 -1.34 4.77 -0.34 -4.71 117.00 122.38 1p6x n LEU 308 Ca 0.03 -3.97 0.08 0.00 -0.03 0.00 0.00 56.01 52.12 1p6x n LEU 308 Cb 0.46 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 41.27 1p6x n LEU 308 CO 0.54 1.42 0.72 0.77 -1.33 0.00 0.00 177.39 179.51 1p6x h SER 309 N 1.22 0.00 -1.79 -1.43 4.64 -1.93 -3.46 113.55 110.80 1p6x h SER 309 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1p6x h SER 309 Cb 1.52 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.63 1p6x h SER 309 CO 0.46 0.28 0.02 0.61 -0.87 0.00 0.00 176.83 177.33 1p6x n GLY 310 N 0.50 -2.23 3.75 -0.77 0.00 -1.26 -5.05 105.19 100.13 1p6x n GLY 310 Ca 0.01 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1p6x n GLY 310 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p6x s THR 311 N -1.23 3.06 0.26 2.61 -4.23 -1.26 -4.74 115.64 110.11 1p6x s THR 311 Ca 0.08 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1p6x s THR 311 Cb -0.01 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.22 1p6x s THR 311 CO 0.06 -0.45 1.72 -0.65 -0.54 0.00 0.00 174.62 174.76 1p6x h PRO 312 N -1.29 0.44 -0.35 3.99 0.11 -1.94 0.15 132.00 133.11 1p6x h PRO 312 Ca -0.46 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1p6x h PRO 312 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1p6x h PRO 312 CO 0.54 0.29 0.20 -0.09 -0.21 0.00 0.00 178.00 178.73 1p6x h ARG 313 N 0.46 0.40 -0.79 1.05 2.43 -1.94 -0.67 114.38 115.31 1p6x h ARG 313 Ca 0.47 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1p6x h ARG 313 Cb 0.78 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1p6x h ARG 313 CO -0.45 0.26 0.39 1.96 -1.51 0.00 0.00 179.97 180.62 1p6x h GLN 314 N 0.41 1.13 -0.31 0.20 4.20 -1.60 -2.19 115.11 116.95 1p6x h GLN 314 Ca 0.14 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1p6x h GLN 314 Cb 0.02 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1p6x h GLN 314 CO -0.08 0.87 0.11 0.00 -0.67 0.00 0.00 178.83 179.06 1p6x h ALA 316 N 0.94 1.33 -0.25 0.00 0.00 -1.02 -1.82 119.26 118.45 1p6x h ALA 316 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1p6x h ALA 316 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1p6x h ALA 316 CO -0.01 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.17 1p6x h ALA 317 N 1.45 0.79 -0.09 0.00 0.00 -0.74 0.67 119.26 121.33 1p6x h ALA 317 Ca 0.42 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1p6x h ALA 317 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p6x h ALA 317 CO -0.18 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.05 1p6x h VAL 318 N 0.49 1.06 -0.18 0.00 2.07 -0.52 -0.11 116.25 119.07 1p6x h VAL 318 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1p6x h VAL 318 Cb 0.95 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1p6x h VAL 318 CO 0.09 0.05 0.05 0.58 0.02 0.00 0.00 177.57 178.36 1p6x h VAL 319 N 0.07 1.19 -0.36 2.57 2.07 -1.21 -2.95 116.25 117.62 1p6x h VAL 319 Ca 0.03 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1p6x h VAL 319 Cb 0.04 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1p6x h VAL 319 CO -0.01 0.18 0.24 -0.08 0.02 0.00 0.00 177.57 177.93 1p6x h GLU 320 N 0.11 0.41 0.00 1.57 4.57 -0.68 -0.93 114.58 119.64 1p6x h GLU 320 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1p6x h GLU 320 Cb 0.23 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1p6x h GLU 320 CO -0.00 0.27 0.00 -1.13 -1.18 0.00 0.00 179.01 176.97 1p6x n SER 321 N -4.48 0.00 0.05 1.04 3.41 -0.07 -1.95 113.62 111.61 1p6x n SER 321 Ca 0.03 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 1p6x n SER 321 Cb 0.12 -0.39 0.52 0.00 -0.26 0.00 0.00 64.21 64.19 1p6x n SER 321 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p6x n LEU 322 N -1.39 0.39 -0.29 1.04 4.77 -0.35 -4.43 117.00 116.74 1p6x n LEU 322 Ca 0.05 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1p6x n LEU 322 Cb 0.14 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.10 1p6x n LEU 322 CO 0.12 -0.09 1.24 -0.07 -1.33 0.00 0.00 177.39 177.26 1p6x h LEU 323 N 0.00 0.83 -2.17 2.23 3.38 -1.56 -0.87 115.31 117.16 1p6x h LEU 323 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p6x h LEU 323 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1p6x h LEU 323 CO 0.00 0.51 0.00 -0.65 0.09 0.00 0.00 178.44 178.39 1p6x h PRO 324 N 0.93 0.00 -0.00 1.13 0.11 -1.79 -1.96 132.00 130.42 1p6x h PRO 324 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1p6x h PRO 324 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1p6x h PRO 324 CO -0.16 0.00 -0.90 1.28 -0.21 0.00 0.00 178.00 178.01 1p6x n LEU 325 N -2.76 1.20 -4.86 2.35 4.77 -0.34 -3.68 117.00 113.68 1p6x n LEU 325 Ca -0.02 -0.55 -0.31 0.00 -0.03 0.00 0.00 56.01 55.10 1p6x n LEU 325 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1p6x n LEU 325 CO 0.17 0.27 0.57 -0.04 -1.33 0.00 0.00 177.39 177.04 1p6x s MET 326 N -2.90 3.86 0.31 3.23 -1.94 -0.74 -4.94 119.30 116.17 1p6x s MET 326 Ca 0.10 0.72 -0.28 0.00 -1.71 0.00 0.00 55.69 54.52 1p6x s MET 326 Cb 0.16 -2.25 -0.09 0.00 2.01 0.00 0.00 34.83 34.66 1p6x s MET 326 CO 0.81 -0.17 1.10 -1.12 -0.01 0.00 0.00 175.02 175.64 1p6x s SER 327 N -3.15 7.12 0.18 3.03 0.01 -1.26 -4.25 113.70 115.38 1p6x s SER 327 Ca 0.55 2.26 0.09 0.00 1.31 0.00 0.00 55.95 60.16 1p6x s SER 327 Cb -0.10 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1p6x s SER 327 CO 0.32 -0.25 -0.18 -0.94 0.41 0.00 0.00 173.24 172.60 1p6x s SER 328 N -0.98 2.77 0.37 2.44 1.04 -0.02 -4.44 113.70 114.88 1p6x s SER 328 Ca 0.47 -0.90 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1p6x s SER 328 Cb -0.31 -0.17 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 1p6x s SER 328 CO 0.39 -0.04 -0.05 0.42 0.98 0.00 0.00 173.24 174.94 1p6x s THR 329 N -2.20 2.19 -0.33 2.02 -4.23 -0.28 -1.49 115.64 111.32 1p6x s THR 329 Ca 0.18 -2.12 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1p6x s THR 329 Cb -0.05 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1p6x s THR 329 CO 0.07 -0.13 0.12 -0.76 -0.54 0.00 0.00 174.62 173.38 1p6x s LEU 330 N -3.65 4.29 0.00 4.79 1.43 -0.05 -1.29 118.68 124.19 1p6x s LEU 330 Ca 0.34 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1p6x s LEU 330 Cb 0.05 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1p6x s LEU 330 CO 0.17 -0.30 0.00 -0.24 0.23 0.00 0.00 176.35 176.21 1p6x n SER 331 N 4.88 1.08 -3.97 2.29 2.88 0.18 -3.25 113.62 117.71 1p6x n SER 331 Ca -0.13 -0.25 -0.17 0.00 -1.33 0.00 0.00 58.87 56.99 1p6x n SER 331 Cb 0.46 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1p6x n SER 331 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1p6x s ASP 332 N -0.19 1.23 0.25 -3.46 3.84 -1.26 -0.55 116.67 116.54 1p6x s ASP 332 Ca 0.00 -1.54 -0.05 0.00 -0.00 0.00 0.00 52.55 50.96 1p6x s ASP 332 Cb 0.00 0.39 0.28 0.00 -1.38 0.00 0.00 42.92 42.21 1p6x s ASP 332 CO 0.00 -0.89 1.86 0.15 -0.00 0.00 0.00 175.17 176.29 1p6x h PHE 333 N 2.30 1.14 -0.44 2.11 3.57 -0.85 -0.09 116.94 124.68 1p6x h PHE 333 Ca -0.33 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.07 1p6x h PHE 333 Cb 1.25 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1p6x h PHE 333 CO 0.94 0.81 0.05 -0.44 -2.23 0.00 0.00 178.31 177.44 1p6x h ASP 334 N 1.15 0.71 -0.41 0.41 3.32 -1.95 -0.57 116.42 119.08 1p6x h ASP 334 Ca 0.28 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1p6x h ASP 334 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1p6x h ASP 334 CO -0.04 0.81 -0.16 0.28 -1.72 0.00 0.00 179.24 178.40 1p6x h SER 335 N 0.59 0.86 -0.81 6.45 0.02 -1.82 -1.05 113.55 117.79 1p6x h SER 335 Ca 0.13 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1p6x h SER 335 Cb 0.41 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1p6x h SER 335 CO 0.01 1.06 0.54 0.00 -1.14 0.00 0.00 176.83 177.30 1p6x h ALA 336 N 0.83 1.03 -0.76 3.77 0.00 -1.00 -0.42 119.26 122.73 1p6x h ALA 336 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p6x h ALA 336 Cb 0.72 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1p6x h ALA 336 CO 0.05 0.43 0.48 0.77 0.00 0.00 0.00 179.25 180.98 1p6x h SER 337 N 1.10 0.89 -0.33 0.00 0.02 -0.97 -1.01 113.55 113.25 1p6x h SER 337 Ca 0.30 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1p6x h SER 337 Cb -0.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1p6x h SER 337 CO -0.07 0.67 0.08 0.00 -1.14 0.00 0.00 176.83 176.38 1p6x h ALA 338 N 1.26 1.39 -0.49 3.77 0.00 -0.58 -1.39 119.26 123.21 1p6x h ALA 338 Ca 0.27 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1p6x h ALA 338 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1p6x h ALA 338 CO -0.05 0.44 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 1p6x h LEU 339 N 0.59 0.91 -0.35 0.00 3.38 -0.52 0.20 115.31 119.51 1p6x h LEU 339 Ca 0.14 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1p6x h LEU 339 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1p6x h LEU 339 CO -0.00 1.03 0.22 -0.08 0.09 0.00 0.00 178.44 179.70 1p6x h GLU 340 N 0.77 0.44 -0.90 1.13 4.57 -0.91 0.73 114.58 120.41 1p6x h GLU 340 Ca 0.13 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1p6x h GLU 340 Cb 0.60 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1p6x h GLU 340 CO 0.04 0.29 0.52 0.00 -1.18 0.00 0.00 179.01 178.68 1p6x h ARG 341 N 0.46 1.24 -0.24 1.92 3.08 -1.15 -1.36 114.38 118.33 1p6x h ARG 341 Ca 0.13 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p6x h ARG 341 Cb -0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 1p6x h ARG 341 CO -0.04 0.89 0.14 0.00 -1.07 0.00 0.00 179.97 179.89 1p6x h ALA 342 N 1.28 0.31 -0.48 0.04 0.00 -0.42 -1.04 119.26 118.96 1p6x h ALA 342 Ca 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1p6x h ALA 342 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1p6x h ALA 342 CO -0.06 -0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.31 1p6x h ALA 343 N 1.03 0.61 -0.53 0.00 0.00 -0.61 0.87 119.26 120.63 1p6x h ALA 343 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1p6x h ALA 343 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1p6x h ALA 343 CO -0.01 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.61 1p6x h ARG 344 N 0.64 0.74 -0.29 0.00 3.08 -1.09 0.26 114.38 117.73 1p6x h ARG 344 Ca 0.17 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1p6x h ARG 344 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1p6x h ARG 344 CO -0.03 0.59 0.09 1.15 -1.07 0.00 0.00 179.97 180.70 1p6x h THR 345 N 0.70 1.20 -0.46 2.04 2.02 -1.03 -1.52 112.91 115.85 1p6x h THR 345 Ca 0.18 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 1p6x h THR 345 Cb 0.07 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1p6x h THR 345 CO -0.03 0.21 -0.17 0.15 0.37 0.00 0.00 175.52 176.05 1p6x h PHE 346 N 0.30 1.06 -0.47 3.16 3.04 -0.71 0.61 116.94 123.94 1p6x h PHE 346 Ca 0.09 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1p6x h PHE 346 Cb 0.23 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 1p6x h PHE 346 CO 0.00 1.04 0.31 -0.91 -2.02 0.00 0.00 178.31 176.73 1p6x h ASN 347 N 0.78 0.54 0.12 0.41 2.35 -0.90 -1.14 115.58 117.73 1p6x h ASN 347 Ca 0.11 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1p6x h ASN 347 Cb 0.73 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1p6x h ASN 347 CO 0.06 0.40 -0.06 0.00 -1.65 0.00 0.00 177.43 176.18 1p6x h ALA 348 N 1.17 -0.16 -0.01 -0.83 0.00 -1.15 -2.80 119.26 115.47 1p6x h ALA 348 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1p6x h ALA 348 Cb -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1p6x h ALA 348 CO -0.04 -0.40 -0.51 0.93 0.00 0.00 0.00 179.25 179.24 1p6x h GLU 349 N -0.53 0.03 -0.00 0.00 5.08 -0.90 -3.17 114.58 115.09 1p6x h GLU 349 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1p6x h GLU 349 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1p6x h GLU 349 CO 0.03 0.53 -0.32 -1.33 -1.00 0.00 0.00 179.01 176.92 1p6x n MET 350 N -3.93 0.06 -1.66 2.33 2.81 -0.43 -4.72 117.12 111.57 1p6x n MET 350 Ca -0.02 -0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.45 1p6x n MET 350 Cb 0.53 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.56 1p6x n MET 350 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p6x n GLY 351 N 1.49 0.13 1.10 3.03 0.00 -1.06 -1.17 105.19 108.70 1p6x n GLY 351 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1p6x n GLY 351 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87