#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p72 n HIS 21 N 0.00 2.58 -2.31 0.66 -0.00 -1.26 -4.77 115.22 110.12 1p72 n HIS 21 Ca 0.00 0.10 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 1p72 n HIS 21 Cb 0.00 -2.64 -0.03 0.00 -0.00 0.00 0.00 29.99 27.33 1p72 n HIS 21 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1p72 s MET 22 N 1.27 4.32 -0.05 1.57 -2.45 -1.26 -0.79 119.30 121.91 1p72 s MET 22 Ca 0.77 1.92 0.01 0.00 -1.25 0.00 0.00 55.69 57.14 1p72 s MET 22 Cb -0.56 -2.94 0.02 0.00 1.25 0.00 0.00 34.83 32.60 1p72 s MET 22 CO 0.35 -0.12 -0.03 0.08 1.05 0.00 0.00 175.02 176.35 1p72 s VAL 23 N -1.27 0.44 -0.11 10.11 1.01 0.11 -4.82 120.40 125.88 1p72 s VAL 23 Ca 0.51 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1p72 s VAL 23 Cb -0.33 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1p72 s VAL 23 CO 0.43 0.21 0.59 -0.89 0.00 0.00 0.00 175.10 175.44 1p72 s THR 24 N 1.11 5.11 -0.06 3.92 2.01 -1.26 0.10 115.64 126.56 1p72 s THR 24 Ca -0.08 1.19 0.05 0.00 0.31 0.00 0.00 61.69 63.15 1p72 s THR 24 Cb -0.14 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 1p72 s THR 24 CO -0.01 0.27 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.34 1p72 s ILE 25 N 0.85 1.80 -0.22 1.82 1.01 -0.52 -1.31 121.20 124.63 1p72 s ILE 25 Ca 0.31 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1p72 s ILE 25 Cb -0.16 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1p72 s ILE 25 CO 0.14 0.50 0.08 -0.69 0.00 0.00 0.00 174.94 174.97 1p72 s VAL 26 N 0.10 4.64 -0.10 2.92 1.01 -0.89 -0.98 120.40 127.10 1p72 s VAL 26 Ca -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1p72 s VAL 26 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1p72 s VAL 26 CO 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 1p72 s ARG 27 N 1.11 3.09 -0.09 2.72 1.70 -1.26 -0.88 118.95 125.34 1p72 s ARG 27 Ca 0.05 -0.45 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 1p72 s ARG 27 Cb -0.14 -2.79 0.02 0.00 -0.57 0.00 0.00 34.95 31.47 1p72 s ARG 27 CO 0.04 0.60 -0.12 0.42 -1.08 0.00 0.00 175.30 175.15 1p72 s ILE 28 N -0.60 1.23 -0.38 4.99 1.01 0.30 -2.38 121.20 125.36 1p72 s ILE 28 Ca 0.10 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 1p72 s ILE 28 Cb -0.12 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1p72 s ILE 28 CO 0.02 0.38 0.34 -0.31 0.00 0.00 0.00 174.94 175.38 1p72 s TYR 29 N 0.94 3.21 -0.20 3.97 1.51 0.07 0.34 117.35 127.18 1p72 s TYR 29 Ca -0.09 -0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 1p72 s TYR 29 Cb -0.15 -2.67 -0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1p72 s TYR 29 CO 0.00 -0.54 0.69 -1.17 -1.11 0.00 0.00 175.55 173.42 1p72 s LEU 30 N 1.90 4.14 0.18 -1.29 0.20 0.03 -0.57 118.68 123.27 1p72 s LEU 30 Ca 0.09 0.92 -0.01 0.00 0.69 0.00 0.00 54.13 55.82 1p72 s LEU 30 Cb -0.18 -2.99 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 1p72 s LEU 30 CO 0.12 -0.34 0.09 -0.62 -0.29 0.00 0.00 176.35 175.31 1p72 s ASP 31 N 1.23 0.37 0.00 3.68 -1.08 0.14 0.02 116.67 121.03 1p72 s ASP 31 Ca 0.31 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 1p72 s ASP 31 Cb -0.16 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.61 1p72 s ASP 31 CO 0.10 -0.77 0.00 0.61 0.52 0.00 0.00 175.17 175.63 1p72 n GLY 32 N -0.22 0.46 3.77 2.66 0.00 -1.26 -0.41 105.19 110.18 1p72 n GLY 32 Ca -0.02 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1p72 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p72 s VAL 33 N -1.56 2.63 0.40 1.61 1.01 -1.26 -4.95 120.40 118.28 1p72 s VAL 33 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 1p72 s VAL 33 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 1p72 s VAL 33 CO 0.00 0.14 1.29 0.00 0.00 0.00 0.00 175.10 176.52 1p72 n TYR 34 N 1.06 2.21 0.00 5.22 0.18 -1.26 -3.19 117.16 121.38 1p72 n TYR 34 Ca 0.01 0.51 0.00 0.00 1.88 0.00 0.00 57.90 60.30 1p72 n TYR 34 Cb 0.41 -2.39 0.00 0.00 -0.38 0.00 0.00 39.34 36.98 1p72 n TYR 34 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1p72 n GLY 35 N 0.78 1.94 0.15 -7.48 0.00 -1.26 -4.96 105.19 94.36 1p72 n GLY 35 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1p72 n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1p72 h ILE 36 N 0.00 1.43 0.00 -0.61 2.04 -1.86 -3.39 117.51 115.12 1p72 h ILE 36 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1p72 h ILE 36 Cb 0.00 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1p72 h ILE 36 CO 0.00 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.47 1p72 n GLY 37 N 0.77 1.08 0.17 5.37 0.00 -1.26 -4.94 105.19 106.37 1p72 n GLY 37 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1p72 n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p72 h LYS 38 N 0.00 -0.33 -0.54 1.61 3.64 -1.92 -1.66 116.57 117.37 1p72 h LYS 38 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1p72 h LYS 38 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1p72 h LYS 38 CO 0.00 -0.16 0.10 0.77 -2.27 0.00 0.00 179.45 177.89 1p72 h SER 39 N -0.43 0.85 -0.30 4.20 0.02 -1.97 -0.25 113.55 115.67 1p72 h SER 39 Ca -0.04 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1p72 h SER 39 Cb 0.32 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1p72 h SER 39 CO 0.06 0.88 0.19 0.74 -1.14 0.00 0.00 176.83 177.56 1p72 h THR 40 N 0.78 1.06 -0.19 -2.27 2.02 -2.00 -1.53 112.91 110.78 1p72 h THR 40 Ca 0.17 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1p72 h THR 40 Cb 0.39 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1p72 h THR 40 CO 0.01 0.07 -0.06 0.74 0.37 0.00 0.00 175.52 176.65 1p72 h THR 41 N 0.39 0.79 -0.81 3.16 2.02 -0.86 -2.06 112.91 115.53 1p72 h THR 41 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1p72 h THR 41 Cb -0.03 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1p72 h THR 41 CO -0.04 0.00 0.46 1.23 0.37 0.00 0.00 175.52 177.54 1p72 h GLY 42 N -0.02 1.19 1.11 2.16 0.00 -0.91 -0.69 103.07 105.92 1p72 h GLY 42 Ca 0.09 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1p72 h GLY 42 CO -0.20 0.50 0.24 3.21 0.00 0.00 0.00 176.54 180.28 1p72 h ARG 43 N 1.12 1.11 -0.73 4.80 2.47 -1.11 -1.67 114.38 120.38 1p72 h ARG 43 Ca 0.29 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 1p72 h ARG 43 Cb 0.00 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 1p72 h ARG 43 CO -0.05 0.94 0.21 0.28 0.56 0.00 0.00 179.97 181.92 1p72 h VAL 44 N 1.07 1.26 -0.48 2.04 2.07 -0.87 -1.60 116.25 119.74 1p72 h VAL 44 Ca 0.24 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1p72 h VAL 44 Cb 0.29 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1p72 h VAL 44 CO -0.01 0.36 0.29 0.24 0.02 0.00 0.00 177.57 178.47 1p72 h MET 45 N 1.08 0.56 -0.20 1.57 2.86 -0.84 -2.40 114.93 117.56 1p72 h MET 45 Ca 0.23 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1p72 h MET 45 Cb 0.33 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1p72 h MET 45 CO -0.00 0.37 -0.12 0.00 1.06 0.00 0.00 176.91 178.22 1p72 h ALA 46 N 1.21 1.44 -2.77 6.32 0.00 -1.16 -3.43 119.26 120.88 1p72 h ALA 46 Ca 0.19 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1p72 h ALA 46 Cb 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 17.78 1p72 h ALA 46 CO -0.09 0.39 0.88 0.45 0.00 0.00 0.00 179.25 180.88 1p72 s SER 47 N -6.84 6.44 0.57 0.00 0.15 -0.62 -4.61 113.70 108.79 1p72 s SER 47 Ca -0.06 2.87 0.27 0.00 0.70 0.00 0.00 55.95 59.73 1p72 s SER 47 Cb 0.15 -2.63 1.56 0.00 -1.71 0.00 0.00 66.02 63.39 1p72 s SER 47 CO 0.74 -0.87 2.05 0.00 1.20 0.00 0.00 173.24 176.36 1p72 h ALA 48 N 5.19 2.01 0.00 5.45 0.00 -1.86 -2.10 119.26 127.95 1p72 h ALA 48 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1p72 h ALA 48 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1p72 h ALA 48 CO 0.81 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 1p72 h ALA 49 N 1.73 1.28 -0.00 0.00 0.00 -1.90 -1.23 119.26 119.13 1p72 h ALA 49 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p72 h ALA 49 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1p72 h ALA 49 CO -0.00 0.07 -0.01 -1.13 0.00 0.00 0.00 179.25 178.19 1p72 n SER 50 N -3.56 0.02 0.00 0.00 3.41 -0.79 -5.00 113.62 107.71 1p72 n SER 50 Ca -0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1p72 n SER 50 Cb 0.17 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1p72 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p72 n GLY 51 N 1.27 3.06 7.00 5.00 0.00 -0.47 -4.91 105.19 116.15 1p72 n GLY 51 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1p72 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p72 n GLY 52 N 0.00 2.94 3.81 -0.02 0.00 -1.26 -4.69 105.19 105.96 1p72 n GLY 52 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1p72 n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p72 s SER 53 N -4.00 7.12 0.04 1.61 0.15 -1.26 -5.02 113.70 112.34 1p72 s SER 53 Ca 0.00 1.39 -0.33 0.00 0.70 0.00 0.00 55.95 57.72 1p72 s SER 53 Cb 0.00 -2.41 -0.11 0.00 -1.71 0.00 0.00 66.02 61.79 1p72 s SER 53 CO 0.00 0.16 1.84 -2.65 1.20 0.00 0.00 173.24 173.79 1p72 n PRO 54 N 1.27 2.48 -4.62 5.44 -0.02 -1.26 -4.76 135.00 133.52 1p72 n PRO 54 Ca -0.06 0.90 -0.24 0.00 -2.02 0.00 0.00 63.50 62.09 1p72 n PRO 54 Cb 0.50 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.05 1p72 n PRO 54 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1p72 s THR 55 N 3.25 1.13 -0.16 3.45 2.01 -1.26 -0.69 115.64 123.38 1p72 s THR 55 Ca 0.87 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1p72 s THR 55 Cb -0.58 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1p72 s THR 55 CO 0.44 0.34 0.05 -0.76 -0.69 0.00 0.00 174.62 173.99 1p72 s LEU 56 N 0.25 3.76 -0.13 4.42 1.43 0.31 -4.59 118.68 124.13 1p72 s LEU 56 Ca -0.06 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1p72 s LEU 56 Cb -0.12 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1p72 s LEU 56 CO 0.02 0.23 -0.12 -0.47 0.23 0.00 0.00 176.35 176.24 1p72 s TYR 57 N 0.00 2.83 -0.34 0.29 5.04 -1.26 0.13 117.35 124.04 1p72 s TYR 57 Ca 0.05 -0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 54.04 1p72 s TYR 57 Cb -0.12 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.38 1p72 s TYR 57 CO 0.01 -0.16 0.13 -0.06 -1.34 0.00 0.00 175.55 174.13 1p72 s PHE 58 N 0.27 3.24 0.99 4.97 0.40 0.18 -4.85 117.98 123.17 1p72 s PHE 58 Ca -0.09 -1.23 -0.13 0.00 -0.60 0.00 0.00 56.93 54.88 1p72 s PHE 58 Cb -0.15 -2.32 0.18 0.00 0.51 0.00 0.00 43.02 41.24 1p72 s PHE 58 CO 0.05 -0.69 1.12 -1.25 0.70 0.00 0.00 175.22 175.15 1p72 s PRO 59 N 1.46 0.51 0.33 0.24 0.04 -1.26 -0.99 135.00 135.33 1p72 s PRO 59 Ca -0.00 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.10 1p72 s PRO 59 Cb -0.19 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 1p72 s PRO 59 CO 0.04 -2.64 1.18 0.39 0.04 0.00 0.00 177.00 176.02 1p72 n GLU 60 N -4.08 1.83 -1.00 4.56 1.02 -1.26 -4.67 120.64 117.05 1p72 n GLU 60 Ca 0.06 0.64 -0.24 0.00 -0.02 0.00 0.00 57.16 57.60 1p72 n GLU 60 Cb 0.58 -2.16 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 1p72 n GLU 60 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1p72 n PRO 61 N 0.57 2.58 0.08 3.49 -0.04 -1.26 -4.73 135.00 135.70 1p72 n PRO 61 Ca 0.07 -1.53 -0.12 0.00 -0.04 0.00 0.00 63.50 61.87 1p72 n PRO 61 Cb 0.35 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1p72 n PRO 61 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1p72 h MET 62 N 4.79 -0.45 -0.61 0.54 4.05 -1.89 -1.58 114.93 119.78 1p72 h MET 62 Ca 0.53 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.97 1p72 h MET 62 Cb 0.60 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1p72 h MET 62 CO 1.16 -0.30 0.36 0.00 0.23 0.00 0.00 176.91 178.37 1p72 h ALA 63 N 0.28 1.49 -0.40 0.39 0.00 -0.85 0.54 119.26 120.72 1p72 h ALA 63 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1p72 h ALA 63 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1p72 h ALA 63 CO -0.21 0.44 0.23 -0.92 0.00 0.00 0.00 179.25 178.79 1p72 h TYR 64 N 0.83 0.43 -0.44 0.00 3.20 -1.61 0.22 116.97 119.60 1p72 h TYR 64 Ca 0.22 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1p72 h TYR 64 Cb -0.02 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1p72 h TYR 64 CO 0.00 0.25 -0.12 -1.49 -1.64 0.00 0.00 178.16 175.16 1p72 h TRP 65 N 0.47 0.90 0.00 -3.82 6.55 -0.49 -3.39 115.95 116.16 1p72 h TRP 65 Ca 0.16 -0.17 -0.14 0.00 0.95 0.00 0.00 58.89 59.69 1p72 h TRP 65 Cb 0.02 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.06 1p72 h TRP 65 CO -0.08 0.89 -1.52 0.54 -1.05 0.00 0.00 178.44 177.22 1p72 n ARG 66 N -4.15 0.39 0.00 0.49 1.74 0.10 -1.60 116.66 113.62 1p72 n ARG 66 Ca 0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1p72 n ARG 66 Cb 0.38 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1p72 n ARG 66 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p72 n THR 67 N -2.74 0.00 0.19 0.55 -2.24 0.01 -4.32 114.28 105.72 1p72 n THR 67 Ca -0.16 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1p72 n THR 67 Cb 0.68 -0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.26 1p72 n THR 67 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1p72 h LEU 68 N 0.00 0.00-10.11 3.22 3.38 -0.87 -3.45 115.31 107.49 1p72 h LEU 68 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1p72 h LEU 68 Cb 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 1p72 h LEU 68 CO 0.00 0.38 -0.48 -0.36 0.09 0.00 0.00 178.44 178.07 1p72 s PHE 69 N -4.08 1.79 0.24 1.13 0.08 -1.26 -5.06 117.98 110.83 1p72 s PHE 69 Ca -0.02 -0.95 -0.03 0.00 0.12 0.00 0.00 56.93 56.04 1p72 s PHE 69 Cb 0.14 -1.65 0.28 0.00 -0.57 0.00 0.00 43.02 41.22 1p72 s PHE 69 CO 0.72 0.11 1.72 0.93 -0.10 0.00 0.00 175.22 178.60 1p72 h GLU 70 N 1.24 0.81 -5.54 0.44 4.39 -1.93 -3.43 114.58 110.54 1p72 h GLU 70 Ca -0.43 -0.24 -0.64 0.00 0.34 0.00 0.00 59.36 58.38 1p72 h GLU 70 Cb 1.32 -0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.75 1p72 h GLU 70 CO 0.71 0.84 -0.57 0.99 -1.16 0.00 0.00 179.01 179.83 1p72 s THR 71 N -4.90 4.76 -0.42 1.13 2.01 -1.26 -5.07 115.64 111.89 1p72 s THR 71 Ca -0.10 -0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1p72 s THR 71 Cb 0.14 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1p72 s THR 71 CO 0.82 0.53 0.72 -0.62 -0.69 0.00 0.00 174.62 175.38 1p72 s ASP 72 N -0.25 6.40 0.36 3.53 -1.08 -1.26 -4.69 116.67 119.67 1p72 s ASP 72 Ca 0.08 -0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.15 1p72 s ASP 72 Cb -0.12 -2.36 0.67 0.00 -1.46 0.00 0.00 42.92 39.65 1p72 s ASP 72 CO 0.02 -0.81 1.77 -0.37 0.52 0.00 0.00 175.17 176.30 1p72 h VAL 73 N 5.88 1.21 0.06 1.11 -1.51 -1.63 0.26 116.25 121.63 1p72 h VAL 73 Ca -0.25 -1.48 -0.00 0.00 -1.23 0.00 0.00 66.70 63.74 1p72 h VAL 73 Cb 1.09 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1p72 h VAL 73 CO 0.92 0.41 -0.03 0.40 -1.23 0.00 0.00 177.57 178.04 1p72 h ILE 74 N 0.00 1.20 -0.54 7.19 2.04 -1.94 0.89 117.51 126.35 1p72 h ILE 74 Ca -0.00 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 1p72 h ILE 74 Cb 0.78 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1p72 h ILE 74 CO 0.05 0.23 0.11 0.77 0.00 0.00 0.00 178.15 179.31 1p72 h SER 75 N -0.49 0.80 -0.27 1.72 4.64 -1.92 -2.72 113.55 115.30 1p72 h SER 75 Ca -0.01 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1p72 h SER 75 Cb 0.43 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1p72 h SER 75 CO 0.01 0.80 0.05 1.23 -0.87 0.00 0.00 176.83 178.05 1p72 h GLY 76 N 0.98 0.48 0.98 -0.77 0.00 -0.39 0.12 103.07 104.47 1p72 h GLY 76 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1p72 h GLY 76 CO 0.00 0.29 -0.07 1.19 0.00 0.00 0.00 176.54 177.96 1p72 h ILE 77 N 0.26 1.27 -0.23 2.60 2.10 -0.73 -0.69 117.51 122.10 1p72 h ILE 77 Ca 0.08 -1.15 -0.15 0.00 1.08 0.00 0.00 64.86 64.73 1p72 h ILE 77 Cb 0.32 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 1p72 h ILE 77 CO 0.00 0.39 -0.46 1.88 -1.08 0.00 0.00 178.15 178.88 1p72 h TYR 78 N 0.62 0.70 -0.49 2.19 -1.99 -1.48 -3.16 116.97 113.37 1p72 h TYR 78 Ca 0.11 -0.22 -0.08 0.00 2.00 0.00 0.00 58.73 60.53 1p72 h TYR 78 Cb 0.58 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1p72 h TYR 78 CO 0.05 0.93 -0.04 0.22 -0.00 0.00 0.00 178.16 179.33 1p72 h ASP 79 N 0.47 0.82 -0.64 3.88 3.58 -0.67 -3.11 116.42 120.76 1p72 h ASP 79 Ca 0.03 -0.22 0.13 0.00 0.42 0.00 0.00 57.03 57.38 1p72 h ASP 79 Cb 0.98 -0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 1p72 h ASP 79 CO 0.09 0.91 0.13 0.74 -2.88 0.00 0.00 179.24 178.22 1p72 h THR 80 N 0.78 0.59 0.00 2.25 2.02 -1.08 -1.17 112.91 116.30 1p72 h THR 80 Ca 0.14 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1p72 h THR 80 Cb 0.52 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1p72 h THR 80 CO 0.03 0.05 0.00 1.56 0.37 0.00 0.00 175.52 177.52 1p72 h GLN 81 N 0.25 0.00 -0.55 6.66 1.08 -1.57 -3.49 115.11 117.49 1p72 h GLN 81 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1p72 h GLN 81 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1p72 h GLN 81 CO -0.44 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.53 1p72 n ASN 82 N -2.85 1.58 0.00 1.46 3.02 -0.44 -5.16 115.26 112.87 1p72 n ASN 82 Ca 0.01 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 1p72 n ASN 82 Cb 0.26 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1p72 n ASN 82 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1p72 n ASP 93 N 0.09 0.00 -0.28 6.41 8.00 -1.26 -4.99 116.55 124.52 1p72 n ASP 93 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 1p72 n ASP 93 Cb 0.32 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.52 1p72 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p72 h ALA 94 N 0.00 1.03 -0.42 2.24 0.00 -1.98 -1.79 119.26 118.34 1p72 h ALA 94 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p72 h ALA 94 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1p72 h ALA 94 CO 0.00 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.79 1p72 h ALA 95 N 1.33 1.61 0.05 0.00 0.00 -1.98 0.35 119.26 120.62 1p72 h ALA 95 Ca 0.31 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1p72 h ALA 95 Cb 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1p72 h ALA 95 CO -0.11 0.33 -0.60 -0.07 0.00 0.00 0.00 179.25 178.80 1p72 h LEU 96 N 0.58 0.44 -0.58 0.00 3.38 -1.79 -2.59 115.31 114.75 1p72 h LEU 96 Ca 0.15 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.30 1p72 h LEU 96 Cb 0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1p72 h LEU 96 CO -0.02 1.24 0.36 0.40 0.09 0.00 0.00 178.44 180.50 1p72 h ILE 97 N -0.29 1.07 -0.89 1.22 1.08 -1.12 -1.40 117.51 117.18 1p72 h ILE 97 Ca -0.09 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1p72 h ILE 97 Cb 1.37 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 1p72 h ILE 97 CO 0.12 0.13 0.59 0.74 -0.69 0.00 0.00 178.15 179.04 1p72 h THR 98 N 0.71 1.22 -0.71 -0.27 2.02 -1.00 -0.32 112.91 114.56 1p72 h THR 98 Ca 0.23 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1p72 h THR 98 Cb 0.01 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1p72 h THR 98 CO -0.10 0.22 0.22 0.00 0.37 0.00 0.00 175.52 176.23 1p72 h ALA 99 N 1.33 0.93 -0.20 6.16 0.00 -1.19 -2.12 119.26 124.16 1p72 h ALA 99 Ca 0.33 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1p72 h ALA 99 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1p72 h ALA 99 CO -0.08 0.61 -0.33 1.25 0.00 0.00 0.00 179.25 180.70 1p72 h HIS 100 N 1.05 0.49 -0.40 0.00 6.17 -0.17 -1.50 115.15 120.79 1p72 h HIS 100 Ca 0.23 -0.12 -0.07 0.00 0.71 0.00 0.00 60.37 61.12 1p72 h HIS 100 Cb 0.31 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 1p72 h HIS 100 CO 0.02 0.71 -0.04 1.88 0.71 0.00 0.00 177.93 181.22 1p72 h TYR 101 N 0.37 0.81 -0.41 5.26 0.99 -0.94 -2.40 116.97 120.64 1p72 h TYR 101 Ca 0.04 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1p72 h TYR 101 Cb 0.76 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 38.27 1p72 h TYR 101 CO 0.02 0.84 0.25 0.37 -0.00 0.00 0.00 178.16 179.64 1p72 h GLN 102 N 0.56 0.55 -0.42 4.88 5.75 -1.18 -1.05 115.11 124.20 1p72 h GLN 102 Ca 0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1p72 h GLN 102 Cb 0.54 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1p72 h GLN 102 CO 0.03 0.38 0.27 0.77 -2.65 0.00 0.00 178.83 177.63 1p72 h SER 103 N 0.56 0.49 0.40 -0.69 0.02 -0.95 -3.04 113.55 110.34 1p72 h SER 103 Ca 0.15 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1p72 h SER 103 Cb -0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1p72 h SER 103 CO -0.03 0.36 -0.29 0.03 -1.14 0.00 0.00 176.83 175.76 1p72 h ARG 104 N 0.56 0.00 -0.86 3.45 3.08 -0.72 -1.89 114.38 118.00 1p72 h ARG 104 Ca 0.15 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1p72 h ARG 104 Cb -0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1p72 h ARG 104 CO -0.03 0.29 0.56 0.74 -1.07 0.00 0.00 179.97 180.46 1p72 h PHE 105 N 0.00 1.00 0.00 3.04 -1.00 -1.27 -3.11 116.94 115.60 1p72 h PHE 105 Ca -0.00 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 1p72 h PHE 105 Cb 0.57 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1p72 h PHE 105 CO 0.00 0.54 -0.48 1.79 -1.61 0.00 0.00 178.31 178.55 1p72 h THR 106 N 1.00 1.01 -0.11 -1.55 1.35 -1.36 -3.39 112.91 109.86 1p72 h THR 106 Ca 0.36 -1.89 0.03 0.00 -0.55 0.00 0.00 66.41 64.35 1p72 h THR 106 Cb 0.15 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 68.64 1p72 h THR 106 CO -0.12 0.47 -0.53 0.74 -0.25 0.00 0.00 175.52 175.83 1p72 h THR 107 N 0.00 0.00 0.00 6.82 2.02 -1.55 -0.90 112.91 119.30 1p72 h THR 107 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1p72 h THR 107 Cb 1.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1p72 h THR 107 CO 0.06 0.00 -0.19 1.55 0.37 0.00 0.00 175.52 177.31 1p72 h PRO 108 N -0.58 0.00 -0.38 6.66 0.13 -1.80 -1.40 132.00 134.63 1p72 h PRO 108 Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 1p72 h PRO 108 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1p72 h PRO 108 CO -0.42 0.19 -0.03 1.88 -0.23 0.00 0.00 178.00 179.40 1p72 h TYR 109 N 0.00 0.75 -0.66 1.56 0.05 -1.49 -1.17 116.97 116.01 1p72 h TYR 109 Ca -0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.60 1p72 h TYR 109 Cb 0.45 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1p72 h TYR 109 CO 0.00 0.79 0.28 -0.07 -1.05 0.00 0.00 178.16 178.11 1p72 h LEU 110 N 0.49 0.90 0.06 3.88 3.38 -0.37 0.25 115.31 123.90 1p72 h LEU 110 Ca 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1p72 h LEU 110 Cb 0.51 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1p72 h LEU 110 CO 0.03 0.82 -0.03 0.40 0.09 0.00 0.00 178.44 179.74 1p72 h ILE 111 N 0.93 1.04 -0.44 1.22 2.04 -1.27 -1.01 117.51 120.02 1p72 h ILE 111 Ca 0.22 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1p72 h ILE 111 Cb 0.19 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1p72 h ILE 111 CO -0.02 0.08 0.27 0.25 0.00 0.00 0.00 178.15 178.73 1p72 h LEU 112 N -0.22 0.44 -0.50 1.44 5.85 -1.12 -0.76 115.31 120.45 1p72 h LEU 112 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1p72 h LEU 112 Cb 0.19 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1p72 h LEU 112 CO 0.01 0.32 0.31 -0.74 -0.34 0.00 0.00 178.44 178.00 1p72 h HIS 113 N 0.54 0.65 -0.74 1.25 2.76 -0.89 0.25 115.15 118.97 1p72 h HIS 113 Ca 0.17 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1p72 h HIS 113 Cb -0.01 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 1p72 h HIS 113 CO -0.06 0.44 0.46 -0.44 -1.30 0.00 0.00 177.93 177.03 1p72 h ASP 114 N 0.67 0.76 -0.22 3.26 3.32 -1.01 -1.49 116.42 121.70 1p72 h ASP 114 Ca 0.18 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1p72 h ASP 114 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1p72 h ASP 114 CO -0.03 0.52 -0.17 -0.74 -1.72 0.00 0.00 179.24 177.10 1p72 h HIS 115 N 0.90 0.60 0.00 4.55 2.76 -0.76 -3.36 115.15 119.84 1p72 h HIS 115 Ca 0.30 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 1p72 h HIS 115 Cb 0.03 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1p72 h HIS 115 CO -0.04 0.82 -0.77 1.79 -1.30 0.00 0.00 177.93 178.43 1p72 h THR 116 N 0.20 0.49 0.00 6.26 1.35 -0.80 -3.30 112.91 117.12 1p72 h THR 116 Ca 0.04 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1p72 h THR 116 Cb 0.69 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1p72 h THR 116 CO 0.04 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 175.60 1p72 n THR 118 N -2.98 0.00 0.01 0.00 -2.24 -1.24 -4.06 114.28 103.76 1p72 n THR 118 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1p72 n THR 118 Cb 0.16 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1p72 n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p72 n LEU 119 N -0.87 0.01 0.13 3.22 4.77 -0.45 -4.72 117.00 119.08 1p72 n LEU 119 Ca 0.22 -0.14 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1p72 n LEU 119 Cb 0.16 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.60 1p72 n LEU 119 CO 0.18 0.00 0.80 -0.26 -1.33 0.00 0.00 177.39 176.79 1p72 h PHE 120 N 0.00 0.21 -0.43 -1.77 0.05 -1.69 -3.43 116.94 109.88 1p72 h PHE 120 Ca 0.00 -0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.81 1p72 h PHE 120 Cb 0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1p72 h PHE 120 CO 0.00 0.42 -0.07 0.41 -0.18 0.00 0.00 178.31 178.89 1p72 n GLY 121 N -0.65 -1.36 0.00 -1.45 0.00 -1.26 -3.79 105.19 96.68 1p72 n GLY 121 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1p72 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p72 n GLY 122 N -1.45 2.95 3.54 -0.02 0.00 -1.22 -4.65 105.19 104.33 1p72 n GLY 122 Ca 0.00 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 1p72 n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p72 n ASN 123 N 0.00 -4.00 -4.71 1.61 3.02 -1.26 -0.64 115.26 109.28 1p72 n ASN 123 Ca 0.00 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 1p72 n ASN 123 Cb 0.00 -4.99 -0.03 0.00 -0.61 0.00 0.00 39.78 34.15 1p72 n ASN 123 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1p72 s SER 124 N -3.87 6.60 0.10 6.41 0.15 -1.25 -4.30 113.70 117.54 1p72 s SER 124 Ca 0.28 2.56 -0.14 0.00 0.70 0.00 0.00 55.95 59.35 1p72 s SER 124 Cb -0.13 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 1p72 s SER 124 CO 0.74 -0.84 0.34 -0.22 1.20 0.00 0.00 173.24 174.46 1p72 s LEU 125 N 1.66 0.69 -0.84 3.45 1.98 -0.76 -4.96 118.68 119.90 1p72 s LEU 125 Ca 0.71 -0.36 -0.22 0.00 -2.89 0.00 0.00 54.13 51.37 1p72 s LEU 125 Cb -0.42 1.59 0.07 0.00 0.66 0.00 0.00 46.19 48.10 1p72 s LEU 125 CO 0.32 -0.78 1.19 -1.10 -1.89 0.00 0.00 176.35 174.08 1p72 s GLN 126 N -3.58 3.38 0.18 1.98 -0.21 -1.26 -0.96 119.66 119.19 1p72 s GLN 126 Ca 0.02 -1.04 0.24 0.00 0.02 0.00 0.00 55.36 54.60 1p72 s GLN 126 Cb 0.02 -4.69 0.43 0.00 1.00 0.00 0.00 33.01 29.77 1p72 s GLN 126 CO -0.10 -1.97 1.44 0.00 -2.12 0.00 0.00 175.29 172.54 1p72 h ARG 127 N 9.52 0.00 0.00 2.91 3.08 -1.86 -3.48 114.38 124.55 1p72 h ARG 127 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1p72 h ARG 127 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1p72 h ARG 127 CO 1.24 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.55 1p72 n GLY 128 N 1.29 2.51 4.00 0.04 0.00 -1.23 -4.97 105.19 106.84 1p72 n GLY 128 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1p72 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p72 s THR 129 N -1.18 2.68 0.17 2.61 -4.23 -1.26 -4.41 115.64 110.01 1p72 s THR 129 Ca 0.00 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1p72 s THR 129 Cb 0.00 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1p72 s THR 129 CO 0.00 0.00 1.17 -1.10 -0.54 0.00 0.00 174.62 174.15 1p72 s GLN 130 N -4.60 4.51 0.84 3.99 -1.52 -1.26 -4.71 119.66 116.90 1p72 s GLN 130 Ca 0.58 1.82 -0.12 0.00 -1.95 0.00 0.00 55.36 55.69 1p72 s GLN 130 Cb -0.09 -3.26 0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1p72 s GLN 130 CO 0.37 -0.06 1.12 -1.25 -0.25 0.00 0.00 175.29 175.21 1p72 s PRO 131 N -0.12 1.76 0.21 2.91 0.04 -1.26 -4.97 135.00 133.56 1p72 s PRO 131 Ca 0.53 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 1p72 s PRO 131 Cb -0.31 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.47 1p72 s PRO 131 CO 0.35 -1.80 1.72 -0.44 0.04 0.00 0.00 177.00 176.87 1p72 h ASP 132 N -1.21 1.05 -5.13 6.66 3.32 -1.58 -3.46 116.42 116.06 1p72 h ASP 132 Ca -0.48 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.25 1p72 h ASP 132 Cb 1.30 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 1p72 h ASP 132 CO 0.61 1.02 -0.30 -1.48 -1.72 0.00 0.00 179.24 177.37 1p72 s LEU 133 N -9.48 1.18 -0.03 1.55 0.05 -1.07 -4.45 118.68 106.42 1p72 s LEU 133 Ca -0.12 -0.54 0.07 0.00 0.05 0.00 0.00 54.13 53.59 1p72 s LEU 133 Cb 0.15 1.22 -0.02 0.00 -2.05 0.00 0.00 46.19 45.49 1p72 s LEU 133 CO 0.85 -0.74 -0.26 -0.89 -0.55 0.00 0.00 176.35 174.76 1p72 s THR 134 N -3.72 2.04 -0.14 5.48 2.01 0.14 -2.09 115.64 119.37 1p72 s THR 134 Ca 0.04 -1.09 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 1p72 s THR 134 Cb 0.04 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1p72 s THR 134 CO -0.11 0.57 0.01 -0.76 -0.69 0.00 0.00 174.62 173.65 1p72 s LEU 135 N -0.46 3.58 -0.22 4.42 1.43 -0.06 -0.53 118.68 126.84 1p72 s LEU 135 Ca 0.05 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1p72 s LEU 135 Cb -0.11 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1p72 s LEU 135 CO 0.01 0.26 -0.14 -0.69 0.23 0.00 0.00 176.35 176.01 1p72 s VAL 136 N -0.16 2.28 -0.19 -1.59 1.01 0.12 -0.54 120.40 121.33 1p72 s VAL 136 Ca 0.05 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1p72 s VAL 136 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1p72 s VAL 136 CO 0.02 0.28 0.22 -0.36 0.00 0.00 0.00 175.10 175.26 1p72 s PHE 137 N 1.23 3.40 -0.71 5.22 0.40 0.15 -0.64 117.98 127.04 1p72 s PHE 137 Ca -0.01 0.43 -0.27 0.00 -0.60 0.00 0.00 56.93 56.48 1p72 s PHE 137 Cb -0.16 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1p72 s PHE 137 CO -0.08 0.19 1.37 0.34 0.70 0.00 0.00 175.22 177.74 1p72 s ASP 138 N 0.62 6.03 0.16 1.36 -1.08 -0.16 -0.79 116.67 122.80 1p72 s ASP 138 Ca 0.12 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 1p72 s ASP 138 Cb -0.13 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1p72 s ASP 138 CO 0.02 -1.91 0.00 0.54 0.52 0.00 0.00 175.17 174.34 1p72 n ARG 139 N 9.31 -1.17 -3.54 4.34 1.74 0.10 -4.44 116.66 123.00 1p72 n ARG 139 Ca 0.06 0.90 -0.25 0.00 -0.77 0.00 0.00 57.85 57.79 1p72 n ARG 139 Cb 0.49 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.82 1p72 n ARG 139 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1p72 s HIS 140 N -3.89 3.49 0.63 -1.55 5.65 -1.26 -4.78 115.29 113.57 1p72 s HIS 140 Ca 0.00 0.34 0.26 0.00 0.25 0.00 0.00 55.06 55.91 1p72 s HIS 140 Cb 0.00 -1.87 1.31 0.00 -1.18 0.00 0.00 32.58 30.83 1p72 s HIS 140 CO 0.00 0.25 1.74 -1.35 -0.65 0.00 0.00 174.74 174.73 1p72 h PRO 141 N 1.33 0.00 -0.01 2.88 0.11 -1.96 -1.90 132.00 132.45 1p72 h PRO 141 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p72 h PRO 141 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p72 h PRO 141 CO 0.64 0.00 0.01 -0.24 -0.21 0.00 0.00 178.00 178.20 1p72 h VAL 142 N 0.00 0.94 -0.06 3.15 3.04 -1.95 -2.08 116.25 119.30 1p72 h VAL 142 Ca 0.15 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.87 1p72 h VAL 142 Cb 1.29 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 31.53 1p72 h VAL 142 CO -0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 177.57 176.41 1p72 h ALA 143 N 1.99 -0.13 0.00 3.17 0.00 -1.74 -0.37 119.26 122.19 1p72 h ALA 143 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1p72 h ALA 143 Cb 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1p72 h ALA 143 CO -0.00 -0.62 -1.16 -1.13 0.00 0.00 0.00 179.25 176.33 1p72 n SER 144 N -5.29 0.82 0.02 0.00 3.41 -1.10 -0.86 113.62 110.63 1p72 n SER 144 Ca -0.04 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1p72 n SER 144 Cb 0.20 0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 1p72 n SER 144 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p72 n THR 145 N -2.72 0.20 0.09 6.66 -2.24 -0.80 -4.51 114.28 110.96 1p72 n THR 145 Ca -0.03 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1p72 n THR 145 Cb 0.63 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1p72 n THR 145 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p72 n VAL 146 N -2.39 0.59 0.21 2.28 0.31 -0.28 -2.56 118.33 116.49 1p72 n VAL 146 Ca -0.03 0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 64.35 1p72 n VAL 146 Cb 0.57 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 1p72 n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p72 h PHE 148 N -0.56 0.78 -0.73 0.00 -1.00 -1.26 -0.91 116.94 113.26 1p72 h PHE 148 Ca -0.05 -0.25 0.09 0.00 2.81 0.00 0.00 57.97 60.57 1p72 h PHE 148 Cb 0.42 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 1p72 h PHE 148 CO -0.03 0.99 0.38 -1.35 -1.61 0.00 0.00 178.31 176.69 1p72 h PRO 149 N 0.34 0.64 -0.29 1.51 0.11 -1.78 -1.68 132.00 130.85 1p72 h PRO 149 Ca 0.03 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1p72 h PRO 149 Cb 0.89 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1p72 h PRO 149 CO 0.07 0.42 0.19 0.00 -0.21 0.00 0.00 178.00 178.48 1p72 h ALA 150 N 1.42 0.37 -0.48 -0.75 0.00 -0.41 0.34 119.26 119.75 1p72 h ALA 150 Ca 0.35 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1p72 h ALA 150 Cb 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1p72 h ALA 150 CO -0.25 -0.17 0.19 0.00 0.00 0.00 0.00 179.25 179.02 1p72 h ALA 151 N 1.11 0.59 -0.69 0.00 0.00 -0.93 -0.41 119.26 118.93 1p72 h ALA 151 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1p72 h ALA 151 Cb -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1p72 h ALA 151 CO -0.03 -0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.20 1p72 h ARG 152 N 0.38 1.10 -0.31 0.00 2.47 -0.97 -1.84 114.38 115.20 1p72 h ARG 152 Ca 0.22 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1p72 h ARG 152 Cb 0.21 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1p72 h ARG 152 CO -0.21 0.96 0.12 -0.92 0.56 0.00 0.00 179.97 180.48 1p72 h TYR 153 N 1.04 0.48 0.00 3.04 3.20 -0.56 0.10 116.97 124.27 1p72 h TYR 153 Ca 0.22 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1p72 h TYR 153 Cb 0.36 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1p72 h TYR 153 CO 0.03 0.46 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.86 1p72 h LEU 154 N 0.35 0.00 -0.68 2.82 3.38 -0.85 -1.53 115.31 118.80 1p72 h LEU 154 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1p72 h LEU 154 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1p72 h LEU 154 CO -0.01 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1p72 n LEU 155 N -4.37 1.04 -0.48 1.67 4.77 -0.71 -4.88 117.00 114.04 1p72 n LEU 155 Ca -0.03 -0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 1p72 n LEU 155 Cb 0.16 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1p72 n LEU 155 CO 0.34 0.20 -0.06 0.61 -1.33 0.00 0.00 177.39 177.15 1p72 n GLY 156 N 1.06 0.79 0.19 -0.72 0.00 -0.57 -4.92 105.19 101.01 1p72 n GLY 156 Ca 0.18 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1p72 n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p72 n ASP 157 N 1.01 1.07 -3.72 1.61 8.00 0.33 -4.91 116.55 119.94 1p72 n ASP 157 Ca -0.06 -0.85 -0.14 0.00 0.71 0.00 0.00 54.79 54.45 1p72 n ASP 157 Cb 0.23 0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 1p72 n ASP 157 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1p72 s MET 158 N -2.72 0.67 0.63 -1.24 -1.94 -1.18 -4.54 119.30 108.99 1p72 s MET 158 Ca 0.17 0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 54.14 1p72 s MET 158 Cb 0.18 0.31 0.02 0.00 2.01 0.00 0.00 34.83 37.35 1p72 s MET 158 CO 0.64 -0.17 0.95 -1.54 -0.01 0.00 0.00 175.02 174.89 1p72 s SER 159 N -0.92 5.38 0.26 3.03 1.04 -1.26 -4.30 113.70 116.92 1p72 s SER 159 Ca -0.10 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 56.99 1p72 s SER 159 Cb -0.04 -1.58 0.35 0.00 0.10 0.00 0.00 66.02 64.84 1p72 s SER 159 CO 0.04 -1.23 1.90 -0.03 0.98 0.00 0.00 173.24 174.90 1p72 h MET 160 N -0.34 1.23 -0.51 4.02 4.05 -1.99 -0.82 114.93 120.57 1p72 h MET 160 Ca -0.45 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 58.94 1p72 h MET 160 Cb 1.27 -0.28 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 1p72 h MET 160 CO 0.61 0.81 0.26 0.00 0.23 0.00 0.00 176.91 178.82 1p72 h ALA 162 N 1.27 0.99 -0.32 0.00 0.00 -1.86 -2.45 119.26 116.89 1p72 h ALA 162 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p72 h ALA 162 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1p72 h ALA 162 CO -0.16 0.59 0.20 1.25 0.00 0.00 0.00 179.25 181.14 1p72 h LEU 163 N 1.09 0.39 -0.77 0.00 5.85 -0.15 -2.33 115.31 119.38 1p72 h LEU 163 Ca 0.26 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1p72 h LEU 163 Cb 0.19 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1p72 h LEU 163 CO -0.02 0.32 0.45 0.24 -0.34 0.00 0.00 178.44 179.08 1p72 h MET 164 N 0.42 0.78 -0.86 1.25 2.86 -0.66 0.18 114.93 118.90 1p72 h MET 164 Ca 0.12 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1p72 h MET 164 Cb -0.00 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 1p72 h MET 164 CO -0.02 0.51 0.55 0.00 1.06 0.00 0.00 176.91 179.01 1p72 h ALA 165 N 1.40 1.15 -0.06 6.32 0.00 -1.04 0.41 119.26 127.44 1p72 h ALA 165 Ca 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1p72 h ALA 165 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p72 h ALA 165 CO -0.20 0.35 -0.19 0.52 0.00 0.00 0.00 179.25 179.73 1p72 h MET 166 N 1.04 0.23 -0.90 0.00 2.07 -0.90 -3.27 114.93 113.20 1p72 h MET 166 Ca 0.35 -0.17 0.02 0.00 -2.07 0.00 0.00 59.70 57.83 1p72 h MET 166 Cb 0.07 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.78 1p72 h MET 166 CO -0.14 0.79 0.59 0.28 1.07 0.00 0.00 176.91 179.51 1p72 h VAL 167 N -0.29 1.21 -0.09 -2.22 2.07 -0.60 -1.08 116.25 115.25 1p72 h VAL 167 Ca -0.01 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1p72 h VAL 167 Cb 0.81 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1p72 h VAL 167 CO 0.04 0.22 0.10 0.00 0.02 0.00 0.00 177.57 177.95 1p72 h ALA 168 N 1.45 1.66 -0.01 1.67 0.00 -0.97 -2.09 119.26 120.96 1p72 h ALA 168 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1p72 h ALA 168 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p72 h ALA 168 CO -0.08 -0.15 -0.14 0.25 0.00 0.00 0.00 179.25 179.13 1p72 n THR 169 N -3.81 0.00 -1.66 0.00 -2.24 -0.41 -4.88 114.28 101.29 1p72 n THR 169 Ca -0.01 -0.19 -0.50 0.00 -2.27 0.00 0.00 64.05 61.08 1p72 n THR 169 Cb 0.21 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1p72 n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1p72 n LEU 170 N -0.22 2.63 -4.80 3.22 0.00 -0.79 -4.97 117.00 112.06 1p72 n LEU 170 Ca 0.15 1.07 -0.35 0.00 0.00 0.00 0.00 56.01 56.88 1p72 n LEU 170 Cb 0.36 -1.30 -0.07 0.00 0.00 0.00 0.00 43.42 42.41 1p72 n LEU 170 CO 0.21 -0.48 0.62 -2.16 0.00 0.00 0.00 177.39 175.58 1p72 s PRO 171 N 1.84 4.37 0.18 1.96 0.04 -1.26 -5.01 135.00 137.11 1p72 s PRO 171 Ca 0.86 1.17 -0.32 0.00 0.04 0.00 0.00 61.00 62.75 1p72 s PRO 171 Cb -0.82 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.11 1p72 s PRO 171 CO 0.48 0.14 1.63 0.50 0.04 0.00 0.00 177.00 179.79 1p72 s ARG 172 N -2.62 4.18 -0.16 4.56 3.52 -1.26 -4.92 118.95 122.25 1p72 s ARG 172 Ca 0.55 2.46 -0.29 0.00 -0.13 0.00 0.00 55.73 58.32 1p72 s ARG 172 Cb -0.14 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1p72 s ARG 172 CO 0.18 -0.67 1.08 -2.00 -0.81 0.00 0.00 175.30 173.08 1p72 s GLU 173 N 1.19 4.32 0.89 5.12 2.56 -1.02 -5.04 118.70 126.72 1p72 s GLU 173 Ca 0.72 1.45 -0.12 0.00 0.00 0.00 0.00 54.97 57.02 1p72 s GLU 173 Cb -0.46 -3.61 0.13 0.00 2.00 0.00 0.00 34.13 32.18 1p72 s GLU 173 CO 0.32 -0.51 1.10 -1.25 -0.56 0.00 0.00 175.26 174.36 1p72 s PRO 174 N 2.70 1.30 0.33 4.30 0.04 -1.26 -4.37 135.00 138.03 1p72 s PRO 174 Ca 0.48 0.62 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 1p72 s PRO 174 Cb -0.18 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 1p72 s PRO 174 CO 0.13 -2.16 1.07 0.00 0.04 0.00 0.00 177.00 176.08 1p72 n GLN 175 N -3.80 1.54 0.00 4.56 10.64 -1.26 -3.69 117.38 125.37 1p72 n GLN 175 Ca 0.07 0.54 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 1p72 n GLN 175 Cb 0.57 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.95 1p72 n GLN 175 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p72 n GLY 176 N 1.10 0.60 3.77 2.61 0.00 -1.26 -4.85 105.19 107.16 1p72 n GLY 176 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1p72 n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p72 s GLY 177 N -1.20 2.84 -0.04 -0.02 0.00 -0.75 -4.58 107.32 103.57 1p72 s GLY 177 Ca 0.00 0.99 0.04 0.00 0.00 0.00 0.00 44.72 45.75 1p72 s GLY 177 CO 0.00 1.49 -0.17 -1.31 0.00 0.00 0.00 173.10 173.10 1p72 s ASN 178 N -1.18 2.16 -0.08 1.64 0.01 -1.00 -1.38 114.94 115.12 1p72 s ASN 178 Ca 0.60 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.44 1p72 s ASN 178 Cb -0.31 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.77 1p72 s ASN 178 CO 0.38 0.16 -0.22 -0.51 -1.51 0.00 0.00 177.10 175.40 1p72 s ILE 179 N -0.01 2.30 -0.24 0.60 2.07 0.13 -0.76 121.20 125.31 1p72 s ILE 179 Ca -0.03 -0.96 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 1p72 s ILE 179 Cb -0.11 -1.87 0.03 0.00 0.13 0.00 0.00 42.46 40.64 1p72 s ILE 179 CO 0.02 0.56 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.82 1p72 s VAL 180 N -0.03 2.52 -0.18 4.00 1.01 0.27 -1.01 120.40 126.98 1p72 s VAL 180 Ca -0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 1p72 s VAL 180 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1p72 s VAL 180 CO 0.05 0.22 0.37 -0.69 0.00 0.00 0.00 175.10 175.04 1p72 s VAL 181 N 1.26 5.23 0.29 2.92 1.01 0.03 -0.69 120.40 130.46 1p72 s VAL 181 Ca -0.01 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 1p72 s VAL 181 Cb -0.17 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1p72 s VAL 181 CO -0.06 0.30 0.98 0.42 0.00 0.00 0.00 175.10 176.74 1p72 s THR 182 N 1.00 3.97 0.10 3.92 -4.23 0.45 -0.98 115.64 119.87 1p72 s THR 182 Ca 0.19 1.81 0.03 0.00 -1.18 0.00 0.00 61.69 62.54 1p72 s THR 182 Cb -0.14 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 1p72 s THR 182 CO 0.07 0.30 -0.09 0.42 -0.54 0.00 0.00 174.62 174.78 1p72 s THR 183 N -1.37 0.90 -0.29 3.99 -4.23 -0.29 -4.69 115.64 109.65 1p72 s THR 183 Ca 0.47 -1.72 -0.22 0.00 -1.18 0.00 0.00 61.69 59.04 1p72 s THR 183 Cb -0.24 -1.44 0.17 0.00 1.34 0.00 0.00 72.50 72.32 1p72 s THR 183 CO 0.30 -0.63 1.21 -0.22 -0.54 0.00 0.00 174.62 174.74 1p72 s LEU 184 N -2.60 -0.25 0.25 4.79 2.96 -1.26 -1.29 118.68 121.27 1p72 s LEU 184 Ca 0.07 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.13 1p72 s LEU 184 Cb -0.01 1.44 -0.14 0.00 0.50 0.00 0.00 46.19 47.98 1p72 s LEU 184 CO -0.01 -0.08 1.16 -0.46 -1.32 0.00 0.00 176.35 175.65 1p72 n ASN 185 N 2.42 1.75 0.18 3.68 0.23 -1.26 -4.77 115.26 117.49 1p72 n ASN 185 Ca -0.14 1.16 0.05 0.00 -0.53 0.00 0.00 54.58 55.13 1p72 n ASN 185 Cb 0.57 -1.32 0.51 0.00 -2.08 0.00 0.00 39.78 37.46 1p72 n ASN 185 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1p72 h VAL 186 N 2.45 1.10 -0.18 3.53 3.04 -2.00 -1.64 116.25 122.53 1p72 h VAL 186 Ca -0.42 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1p72 h VAL 186 Cb 1.32 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 1p72 h VAL 186 CO 0.66 0.13 0.11 -0.33 -1.01 0.00 0.00 177.57 177.14 1p72 h GLU 187 N 0.14 0.24 -0.09 4.17 3.07 -2.00 0.55 114.58 120.66 1p72 h GLU 187 Ca 0.03 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.69 1p72 h GLU 187 Cb 0.18 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1p72 h GLU 187 CO 0.01 0.19 -0.72 1.49 -1.40 0.00 0.00 179.01 178.58 1p72 h GLU 188 N 0.23 0.46 -0.05 2.33 4.57 -1.87 -1.52 114.58 118.72 1p72 h GLU 188 Ca 0.07 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1p72 h GLU 188 Cb 0.00 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1p72 h GLU 188 CO -0.01 1.00 -0.27 1.25 -1.18 0.00 0.00 179.01 179.79 1p72 h HIS 189 N 0.32 -0.74 -0.31 0.92 2.76 -1.03 0.12 115.15 117.20 1p72 h HIS 189 Ca -0.03 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1p72 h HIS 189 Cb 1.30 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.57 1p72 h HIS 189 CO 0.05 -0.36 -0.21 0.82 -1.30 0.00 0.00 177.93 176.93 1p72 h ILE 190 N -0.38 1.26 -0.45 6.26 1.08 -0.82 -2.33 117.51 122.12 1p72 h ILE 190 Ca 0.08 -1.24 0.04 0.00 -0.39 0.00 0.00 64.86 63.35 1p72 h ILE 190 Cb 0.50 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1p72 h ILE 190 CO -0.27 0.40 0.20 -0.09 -0.69 0.00 0.00 178.15 177.70 1p72 h ARG 191 N 0.51 0.39 -0.41 2.37 2.43 -1.00 0.61 114.38 119.27 1p72 h ARG 191 Ca 0.08 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1p72 h ARG 191 Cb 0.65 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1p72 h ARG 191 CO 0.05 0.26 0.16 0.00 -1.51 0.00 0.00 179.97 178.92 1p72 h ARG 192 N 0.40 0.32 -0.78 0.20 3.08 -0.56 -1.06 114.38 115.98 1p72 h ARG 192 Ca 0.20 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1p72 h ARG 192 Cb 0.14 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1p72 h ARG 192 CO -0.17 0.21 0.51 -0.07 -1.07 0.00 0.00 179.97 179.39 1p72 h LEU 193 N 0.33 0.82 0.05 3.04 3.38 -0.96 -3.14 115.31 118.84 1p72 h LEU 193 Ca 0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p72 h LEU 193 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1p72 h LEU 193 CO -0.18 0.56 -0.02 0.03 0.09 0.00 0.00 178.44 178.92 1p72 h ARG 194 N 0.95 -0.06 -0.70 1.13 3.08 -0.07 -1.63 114.38 117.08 1p72 h ARG 194 Ca 0.31 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.51 1p72 h ARG 194 Cb 0.05 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 1p72 h ARG 194 CO -0.09 0.30 -0.05 1.79 -1.07 0.00 0.00 179.97 180.84 1p72 h THR 195 N -0.43 0.37 -0.28 2.04 1.35 -1.20 -0.95 112.91 113.81 1p72 h THR 195 Ca -0.01 -0.02 -0.15 0.00 -0.55 0.00 0.00 66.41 65.68 1p72 h THR 195 Cb 0.39 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1p72 h THR 195 CO 0.01 0.01 -0.43 -0.09 -0.25 0.00 0.00 175.52 174.78 1p72 h ARG 196 N 0.07 0.70 -7.17 4.72 2.43 -1.54 -3.45 114.38 110.13 1p72 h ARG 196 Ca 0.36 -0.38 -0.52 0.00 -0.81 0.00 0.00 59.98 58.63 1p72 h ARG 196 Cb 0.60 0.02 0.13 0.00 -0.42 0.00 0.00 29.97 30.30 1p72 h ARG 196 CO -0.64 0.99 0.39 0.00 -1.51 0.00 0.00 179.97 179.20 1p72 s ALA 197 N -4.25 2.30 0.00 2.80 0.00 -0.36 -5.02 121.76 117.23 1p72 s ALA 197 Ca -0.09 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1p72 s ALA 197 Cb 0.12 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1p72 s ALA 197 CO 0.85 -1.56 0.00 0.54 0.00 0.00 0.00 175.76 175.59 1p72 n ARG 198 N -2.46 0.00 -2.81 0.00 1.74 -1.26 -4.88 116.66 106.98 1p72 n ARG 198 Ca 0.12 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 1p72 n ARG 198 Cb 0.51 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.02 1p72 n ARG 198 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1p72 n ILE 199 N 0.00 0.05 0.00 0.55 -0.00 -1.26 -4.82 119.36 113.88 1p72 n ILE 199 Ca 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 62.75 60.51 1p72 n ILE 199 Cb 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 39.64 40.62 1p72 n ILE 199 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1p72 n GLY 200 N 0.10 -0.28 3.70 7.39 0.00 -1.26 -5.13 105.19 109.71 1p72 n GLY 200 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1p72 n GLY 200 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p72 s GLU 201 N 0.00 4.37 0.63 1.61 2.12 -1.26 -5.01 118.70 121.16 1p72 s GLU 201 Ca 0.00 1.82 -0.14 0.00 0.36 0.00 0.00 54.97 57.01 1p72 s GLU 201 Cb 0.00 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1p72 s GLU 201 CO 0.00 -0.40 1.06 -0.65 -0.54 0.00 0.00 175.26 174.73 1p72 s GLN 202 N 1.67 3.16 -0.07 4.30 -0.21 -1.26 -4.84 119.66 122.41 1p72 s GLN 202 Ca 0.60 1.11 0.05 0.00 0.02 0.00 0.00 55.36 57.14 1p72 s GLN 202 Cb -0.29 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 1p72 s GLN 202 CO 0.27 -0.93 -0.23 0.42 -2.12 0.00 0.00 175.29 172.70 1p72 s ILE 203 N -2.68 2.21 -1.25 1.08 1.01 -1.26 -5.04 121.20 115.27 1p72 s ILE 203 Ca 0.61 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 1p72 s ILE 203 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1p72 s ILE 203 CO 0.44 0.57 1.92 -0.67 0.00 0.00 0.00 174.94 177.19 1p72 n ASP 204 N 3.08 4.02 -0.35 3.58 -0.08 -1.26 -4.75 116.55 120.79 1p72 n ASP 204 Ca -0.18 -2.83 -0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1p72 n ASP 204 Cb 0.52 -1.65 0.15 0.00 2.34 0.00 0.00 41.12 42.48 1p72 n ASP 204 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1p72 h ILE 205 N 5.16 1.20 -0.65 5.18 1.08 -1.99 -1.46 117.51 126.03 1p72 h ILE 205 Ca 0.43 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1p72 h ILE 205 Cb 0.80 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 1p72 h ILE 205 CO 1.58 0.23 0.28 0.74 -0.69 0.00 0.00 178.15 180.29 1p72 h THR 206 N 1.26 1.23 -0.35 -0.27 2.02 -1.95 0.94 112.91 115.79 1p72 h THR 206 Ca 0.38 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1p72 h THR 206 Cb -0.05 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1p72 h THR 206 CO -0.11 0.28 0.10 0.25 0.37 0.00 0.00 175.52 176.42 1p72 h LEU 207 N 0.91 0.53 -0.41 2.58 5.85 -1.80 -2.47 115.31 120.49 1p72 h LEU 207 Ca 0.22 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1p72 h LEU 207 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1p72 h LEU 207 CO -0.02 0.60 0.16 0.40 -0.34 0.00 0.00 178.44 179.24 1p72 h ILE 208 N 0.42 1.20 -0.74 4.05 2.04 -0.98 -0.09 117.51 123.41 1p72 h ILE 208 Ca 0.11 -0.62 0.13 0.00 1.00 0.00 0.00 64.86 65.49 1p72 h ILE 208 Cb 0.27 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1p72 h ILE 208 CO -0.00 0.22 0.30 0.00 0.00 0.00 0.00 178.15 178.67 1p72 h ALA 209 N 1.01 1.03 -0.29 1.87 0.00 -0.79 -0.69 119.26 121.40 1p72 h ALA 209 Ca 0.14 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1p72 h ALA 209 Cb 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p72 h ALA 209 CO -0.01 -0.20 -0.28 1.15 0.00 0.00 0.00 179.25 179.91 1p72 h THR 210 N 0.45 1.30 -0.58 0.00 2.02 -0.90 -2.77 112.91 112.43 1p72 h THR 210 Ca 0.40 -1.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 1p72 h THR 210 Cb 0.58 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1p72 h THR 210 CO -0.39 0.46 0.11 -0.07 0.37 0.00 0.00 175.52 176.01 1p72 h LEU 211 N 0.44 0.86 -0.56 2.58 3.38 -0.73 0.18 115.31 121.46 1p72 h LEU 211 Ca 0.05 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1p72 h LEU 211 Cb 0.85 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1p72 h LEU 211 CO 0.07 0.86 0.36 0.03 0.09 0.00 0.00 178.44 179.84 1p72 h ARG 212 N 0.87 0.70 -0.31 1.13 3.08 -1.11 -0.44 114.38 118.29 1p72 h ARG 212 Ca 0.18 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1p72 h ARG 212 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1p72 h ARG 212 CO 0.00 0.46 0.08 -0.91 -1.07 0.00 0.00 179.97 178.54 1p72 h ASN 213 N 0.72 0.47 -0.91 7.04 2.35 -1.14 -2.50 115.58 121.61 1p72 h ASN 213 Ca 0.21 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1p72 h ASN 213 Cb -0.04 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.14 1p72 h ASN 213 CO -0.07 0.57 0.57 0.58 -1.65 0.00 0.00 177.43 177.42 1p72 h VAL 214 N 0.34 1.02 -0.08 2.81 2.07 -0.65 0.39 116.25 122.16 1p72 h VAL 214 Ca 0.10 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1p72 h VAL 214 Cb 0.28 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1p72 h VAL 214 CO -0.00 0.18 -0.45 1.88 0.02 0.00 0.00 177.57 179.20 1p72 h TYR 215 N 1.00 0.22 -0.24 1.57 0.05 -1.00 0.11 116.97 118.67 1p72 h TYR 215 Ca 0.41 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 1p72 h TYR 215 Cb 0.24 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1p72 h TYR 215 CO -0.02 0.60 0.05 0.74 -1.05 0.00 0.00 178.16 178.48 1p72 h PHE 216 N 0.15 0.42 -0.72 4.88 0.05 -0.91 -1.18 116.94 119.64 1p72 h PHE 216 Ca 0.01 -0.05 0.14 0.00 3.82 0.00 0.00 57.97 61.89 1p72 h PHE 216 Cb 0.86 -0.12 -0.10 0.00 2.00 0.00 0.00 35.95 38.59 1p72 h PHE 216 CO 0.01 0.51 0.22 0.52 -0.18 0.00 0.00 178.31 179.39 1p72 h MET 217 N 0.21 0.33 0.16 1.51 2.86 -0.44 0.16 114.93 119.72 1p72 h MET 217 Ca 0.07 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1p72 h MET 217 Cb 0.31 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1p72 h MET 217 CO 0.00 0.22 -0.26 1.25 1.06 0.00 0.00 176.91 179.18 1p72 h LEU 218 N 0.34 -0.73 -0.48 1.22 5.85 -0.54 0.16 115.31 121.13 1p72 h LEU 218 Ca 0.40 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.27 1p72 h LEU 218 Cb 0.63 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1p72 h LEU 218 CO -0.45 -0.36 0.15 0.58 -0.34 0.00 0.00 178.44 178.02 1p72 h VAL 219 N -0.50 0.80 -0.91 1.05 2.07 -0.51 -1.86 116.25 116.40 1p72 h VAL 219 Ca 0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1p72 h VAL 219 Cb 0.50 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1p72 h VAL 219 CO -0.12 0.06 0.51 0.78 0.02 0.00 0.00 177.57 178.81 1p72 h ASN 220 N 0.31 1.13 -0.44 0.57 2.35 -0.43 -1.89 115.58 117.17 1p72 h ASN 220 Ca 0.24 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 1p72 h ASN 220 Cb 0.27 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1p72 h ASN 220 CO -0.26 0.89 0.20 0.74 -1.65 0.00 0.00 177.43 177.35 1p72 h THR 221 N 1.27 0.93 -0.45 2.81 2.02 0.09 0.14 112.91 119.71 1p72 h THR 221 Ca 0.32 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 1p72 h THR 221 Cb 0.01 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1p72 h THR 221 CO -0.05 0.07 -0.06 0.00 0.37 0.00 0.00 175.52 175.85 1p72 h HIS 223 N 0.68 0.51 -0.34 0.00 -0.00 -1.14 -0.33 115.15 114.53 1p72 h HIS 223 Ca 0.12 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1p72 h HIS 223 Cb 0.58 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 1p72 h HIS 223 CO 0.04 0.30 0.15 0.35 -0.00 0.00 0.00 177.93 178.78 1p72 h PHE 224 N 0.55 0.28 -0.33 2.45 3.57 -0.36 -1.62 116.94 121.47 1p72 h PHE 224 Ca 0.17 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1p72 h PHE 224 Cb -0.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1p72 h PHE 224 CO -0.06 0.14 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.89 1p72 h LEU 225 N 0.32 0.61 -1.34 0.59 3.38 -0.77 -2.92 115.31 115.17 1p72 h LEU 225 Ca 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1p72 h LEU 225 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1p72 h LEU 225 CO -0.12 0.81 -0.33 -0.09 0.09 0.00 0.00 178.44 178.80 1p72 h ARG 226 N 0.54 0.00 0.00 1.13 9.65 -0.63 -2.01 114.38 123.07 1p72 h ARG 226 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1p72 h ARG 226 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1p72 h ARG 226 CO 0.05 0.33 0.00 -1.13 2.80 0.00 0.00 179.97 182.01 1p72 n SER 227 N -4.08 0.00 0.00 -3.80 3.41 -0.65 -4.86 113.62 103.64 1p72 n SER 227 Ca -0.02 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1p72 n SER 227 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1p72 n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p72 n GLY 228 N 0.37 0.92 3.84 5.00 0.00 -0.75 -5.05 105.19 109.52 1p72 n GLY 228 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1p72 n GLY 228 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p72 s ARG 229 N -0.15 3.56 0.25 1.61 0.52 -1.14 -5.03 118.95 118.57 1p72 s ARG 229 Ca 0.00 0.93 0.08 0.00 -0.52 0.00 0.00 55.73 56.22 1p72 s ARG 229 Cb 0.00 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1p72 s ARG 229 CO 0.00 -0.59 -0.12 0.14 0.02 0.00 0.00 175.30 174.74 1p72 s VAL 230 N -2.84 1.87 0.58 3.52 -7.23 -1.26 -4.29 120.40 110.74 1p72 s VAL 230 Ca 0.58 -2.22 0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1p72 s VAL 230 Cb -0.12 -2.27 0.34 0.00 0.56 0.00 0.00 36.38 34.89 1p72 s VAL 230 CO 0.43 -0.43 2.22 4.11 -0.31 0.00 0.00 175.10 181.12 1p72 h TRP 231 N 2.38 0.00 0.00 2.82 5.08 -1.98 0.30 115.95 124.54 1p72 h TRP 231 Ca -0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1p72 h TRP 231 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1p72 h TRP 231 CO 0.72 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.88 1p72 h ARG 232 N 0.00 0.00 -6.28 0.12 3.08 -2.00 -3.37 114.38 105.93 1p72 h ARG 232 Ca 0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1p72 h ARG 232 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1p72 h ARG 232 CO -0.00 0.00 1.17 -0.51 -1.07 0.00 0.00 179.97 179.56 1p72 s ASP 233 N -4.64 5.90 0.00 7.04 1.01 0.11 -2.54 116.67 123.55 1p72 s ASP 233 Ca 0.02 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.49 1p72 s ASP 233 Cb 0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1p72 s ASP 233 CO 0.40 -1.90 0.00 0.61 0.21 0.00 0.00 175.17 174.49 1p72 n GLY 234 N 5.40 0.70 0.14 0.21 0.00 -1.26 -4.58 105.19 105.80 1p72 n GLY 234 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1p72 n GLY 234 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1p72 h TRP 235 N 0.00 0.06 -0.14 1.61 2.91 -1.66 -1.57 115.95 117.16 1p72 h TRP 235 Ca 0.00 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.07 1p72 h TRP 235 Cb 0.00 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.64 1p72 h TRP 235 CO 0.00 -0.01 -0.06 0.78 -1.03 0.00 0.00 178.44 178.13 1p72 h GLY 236 N 0.14 0.07 2.00 2.65 0.00 -1.94 -2.89 103.07 103.11 1p72 h GLY 236 Ca 0.14 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1p72 h GLY 236 CO -0.21 -0.08 -0.18 1.05 0.00 0.00 0.00 176.54 177.12 1p72 h GLU 237 N -0.04 0.00 -6.68 4.80 9.09 -1.91 -3.44 114.58 116.40 1p72 h GLU 237 Ca 0.08 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.96 1p72 h GLU 237 Cb 0.15 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.31 1p72 h GLU 237 CO -0.17 0.18 0.86 -1.17 0.05 0.00 0.00 179.01 178.76 1p72 s LEU 238 N -7.03 4.37 0.49 3.06 2.96 -0.61 -5.00 118.68 116.92 1p72 s LEU 238 Ca -0.01 2.70 -0.23 0.00 -0.22 0.00 0.00 54.13 56.37 1p72 s LEU 238 Cb 0.12 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1p72 s LEU 238 CO 0.61 -0.81 1.35 -2.84 -1.32 0.00 0.00 176.35 173.34 1p72 s PRO 239 N 0.44 3.46 0.33 0.98 0.02 -1.26 -4.96 135.00 134.02 1p72 s PRO 239 Ca 0.66 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.61 1p72 s PRO 239 Cb -0.44 -2.44 -0.11 0.00 0.02 0.00 0.00 34.50 31.53 1p72 s PRO 239 CO 0.37 -0.92 1.43 0.95 -0.33 0.00 0.00 177.00 178.50 1p72 s THR 240 N -1.30 2.38 -0.99 0.99 -4.23 -1.26 -4.90 115.64 106.32 1p72 s THR 240 Ca 0.66 0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 61.34 1p72 s THR 240 Cb -0.40 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.34 1p72 s THR 240 CO 0.49 0.08 1.24 -0.44 -0.54 0.00 0.00 174.62 175.45 1p72 s SER 241 N -0.08 6.67 0.00 3.99 0.01 0.15 -4.87 113.70 119.57 1p72 s SER 241 Ca 0.54 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 55.72 1p72 s SER 241 Cb -0.44 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.36 1p72 s SER 241 CO 0.54 -1.10 0.00 0.00 0.41 0.00 0.00 173.24 173.09 1p72 h GLY 243 N 0.00 0.62 1.17 0.00 0.00 -2.00 -2.36 103.07 100.50 1p72 h GLY 243 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1p72 h GLY 243 CO 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 176.54 176.74 1p72 h ALA 244 N 1.34 1.08 -0.30 3.60 0.00 -1.94 -2.07 119.26 120.97 1p72 h ALA 244 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1p72 h ALA 244 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1p72 h ALA 244 CO -0.26 0.62 0.09 -0.92 0.00 0.00 0.00 179.25 178.79 1p72 h TYR 245 N 1.01 0.48 -0.37 0.00 3.20 -1.81 -1.98 116.97 117.50 1p72 h TYR 245 Ca 0.22 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1p72 h TYR 245 Cb 0.29 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1p72 h TYR 245 CO 0.02 0.50 0.05 0.87 -1.64 0.00 0.00 178.16 177.96 1p72 h LYS 246 N 0.32 0.55 0.13 1.82 1.57 -1.26 -0.03 116.57 119.68 1p72 h LYS 246 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1p72 h LYS 246 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1p72 h LYS 246 CO -0.00 0.55 -0.06 0.45 -0.57 0.00 0.00 179.45 179.81 1p72 h HIS 247 N 0.54 -0.16 -0.89 -1.35 3.86 -1.12 -2.63 115.15 113.41 1p72 h HIS 247 Ca 0.12 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1p72 h HIS 247 Cb 0.28 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 1p72 h HIS 247 CO 0.01 -0.06 0.58 -0.09 0.86 0.00 0.00 177.93 179.24 1p72 h ARG 248 N -0.21 1.10 0.00 2.45 2.43 -0.95 -2.47 114.38 116.73 1p72 h ARG 248 Ca -0.02 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1p72 h ARG 248 Cb 0.17 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1p72 h ARG 248 CO 0.03 0.73 -0.23 0.00 -1.51 0.00 0.00 179.97 178.98 1p72 h ALA 249 N 1.47 1.34 -0.01 2.80 0.00 -0.88 -2.24 119.26 121.75 1p72 h ALA 249 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1p72 h ALA 249 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1p72 h ALA 249 CO -0.10 0.29 -0.27 0.25 0.00 0.00 0.00 179.25 179.43 1p72 n THR 250 N -3.87 0.00 -2.65 0.00 -2.24 -0.98 -4.50 114.28 100.04 1p72 n THR 250 Ca -0.02 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1p72 n THR 250 Cb 0.32 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1p72 n THR 250 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1p72 s GLN 251 N -2.36 4.35 0.10 -0.78 0.74 -0.84 -4.32 119.66 116.55 1p72 s GLN 251 Ca 0.25 1.41 -0.36 0.00 0.05 0.00 0.00 55.36 56.71 1p72 s GLN 251 Cb 0.19 -3.59 -0.15 0.00 1.10 0.00 0.00 33.01 30.56 1p72 s GLN 251 CO 0.49 -0.46 1.48 -0.12 -0.55 0.00 0.00 175.29 176.13 1p72 n MET 252 N 5.58 1.62 -1.29 1.67 0.00 -1.26 -1.48 117.12 121.96 1p72 n MET 252 Ca 0.10 0.58 -0.10 0.00 -0.00 0.00 0.00 57.70 58.29 1p72 n MET 252 Cb 0.47 -2.29 -0.04 0.00 0.00 0.00 0.00 33.22 31.36 1p72 n MET 252 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1p72 n ASP 253 N 3.18 -5.05 0.05 6.12 8.00 -1.26 -4.89 116.55 122.70 1p72 n ASP 253 Ca 0.18 0.24 -0.06 0.00 0.71 0.00 0.00 54.79 55.87 1p72 n ASP 253 Cb 0.23 -3.42 0.12 0.00 -0.02 0.00 0.00 41.12 38.04 1p72 n ASP 253 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p72 h ALA 254 N 0.00 0.87 -2.20 2.24 0.00 -1.54 -3.44 119.26 115.19 1p72 h ALA 254 Ca -0.20 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 1p72 h ALA 254 Cb 0.93 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1p72 h ALA 254 CO 0.30 0.67 -0.56 -0.06 0.00 0.00 0.00 179.25 179.60 1p72 s PHE 255 N -3.98 2.99 0.27 0.00 0.40 -1.26 -5.11 117.98 111.30 1p72 s PHE 255 Ca -0.05 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 1p72 s PHE 255 Cb 0.12 -1.34 -0.00 0.00 0.51 0.00 0.00 43.02 42.31 1p72 s PHE 255 CO 0.81 0.55 0.48 1.14 0.70 0.00 0.00 175.22 178.90 1p72 s GLN 256 N -3.79 1.65 -0.05 0.44 -2.07 -1.26 -4.88 119.66 109.69 1p72 s GLN 256 Ca 0.32 -1.39 -0.30 0.00 -1.82 0.00 0.00 55.36 52.18 1p72 s GLN 256 Cb -0.07 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1p72 s GLN 256 CO 0.23 -0.69 1.45 -2.00 -1.32 0.00 0.00 175.29 172.97 1p72 s GLU 257 N -3.72 4.24 -0.13 9.60 2.12 -1.26 -4.81 118.70 124.73 1p72 s GLU 257 Ca 0.25 1.97 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 1p72 s GLU 257 Cb -0.00 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 1p72 s GLU 257 CO 0.12 -0.68 0.28 1.03 -0.54 0.00 0.00 175.26 175.46 1p72 s ARG 258 N 3.10 4.06 0.11 4.30 1.81 -1.26 -4.98 118.95 126.09 1p72 s ARG 258 Ca 0.65 0.10 -0.25 0.00 -1.72 0.00 0.00 55.73 54.51 1p72 s ARG 258 Cb -0.30 -3.35 -0.07 0.00 -0.45 0.00 0.00 34.95 30.78 1p72 s ARG 258 CO 0.25 0.41 1.66 0.28 -0.68 0.00 0.00 175.30 177.22 1p72 h VAL 259 N 4.39 0.57 -2.85 3.52 2.07 -2.02 -3.36 116.25 118.58 1p72 h VAL 259 Ca -0.45 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.46 1p72 h VAL 259 Cb 1.18 0.57 -0.40 0.00 -1.52 0.00 0.00 31.29 31.12 1p72 h VAL 259 CO 0.70 0.00 -0.73 -0.44 0.02 0.00 0.00 177.57 177.12 1p72 s SER 260 N -4.94 3.51 0.51 0.57 0.01 -1.26 -5.06 113.70 107.04 1p72 s SER 260 Ca -0.15 -3.35 -0.23 0.00 1.31 0.00 0.00 55.95 53.53 1p72 s SER 260 Cb 0.08 -1.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.11 1p72 s SER 260 CO 0.66 -0.15 1.38 -2.16 0.41 0.00 0.00 173.24 173.39 1p72 s PRO 261 N -0.60 3.33 0.51 12.44 0.04 -1.26 -5.04 135.00 144.43 1p72 s PRO 261 Ca 0.26 2.30 0.07 0.00 0.04 0.00 0.00 61.00 63.67 1p72 s PRO 261 Cb -0.06 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.13 1p72 s PRO 261 CO -0.14 -1.06 0.70 -1.21 0.04 0.00 0.00 177.00 175.33 1p72 s GLU 262 N -2.75 2.54 0.25 4.56 2.02 -1.26 -4.89 118.70 119.17 1p72 s GLU 262 Ca 0.68 -1.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 1p72 s GLU 262 Cb -0.42 -2.66 0.40 0.00 0.10 0.00 0.00 34.13 31.55 1p72 s GLU 262 CO 0.51 -0.60 1.84 1.25 0.02 0.00 0.00 175.26 178.28 1p72 h LEU 263 N 0.34 0.84 -0.20 1.80 5.85 -1.95 -2.23 115.31 119.76 1p72 h LEU 263 Ca -0.36 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1p72 h LEU 263 Cb 1.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1p72 h LEU 263 CO 0.44 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.65 1p72 n GLY 264 N -1.33 -0.89 0.08 3.75 0.00 -1.26 -1.53 105.19 104.00 1p72 n GLY 264 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1p72 n GLY 264 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p72 n ASP 265 N -1.66 0.60 -4.97 1.61 8.00 -0.84 -4.91 116.55 114.40 1p72 n ASP 265 Ca 0.02 -0.39 -0.19 0.00 0.71 0.00 0.00 54.79 54.94 1p72 n ASP 265 Cb 0.12 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1p72 n ASP 265 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1p72 s THR 266 N -2.82 2.67 0.47 -3.53 -4.23 -0.58 -4.20 115.64 103.43 1p72 s THR 266 Ca 0.16 -1.14 0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1p72 s THR 266 Cb 0.18 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.47 1p72 s THR 266 CO 0.62 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.72 1p72 h LEU 267 N 0.70 0.00 -1.63 4.79 3.38 -1.84 -3.15 115.31 117.55 1p72 h LEU 267 Ca -0.39 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1p72 h LEU 267 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1p72 h LEU 267 CO 0.49 0.11 0.25 -0.26 0.09 0.00 0.00 178.44 179.12 1p72 h PHE 268 N 0.00 0.47 -0.78 1.13 0.04 -1.93 -3.22 116.94 112.64 1p72 h PHE 268 Ca -0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1p72 h PHE 268 Cb 0.23 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1p72 h PHE 268 CO 0.00 0.29 0.51 0.00 -0.60 0.00 0.00 178.31 178.52 1p72 h ALA 269 N 1.76 1.51 0.00 2.45 0.00 -1.70 -1.80 119.26 121.48 1p72 h ALA 269 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p72 h ALA 269 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1p72 h ALA 269 CO -0.03 0.43 0.00 1.37 0.00 0.00 0.00 179.25 181.02 1p72 h LEU 270 N 0.99 0.00 0.00 0.00 8.10 -1.79 -2.63 115.31 119.98 1p72 h LEU 270 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.29 1p72 h LEU 270 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1p72 h LEU 270 CO -0.08 0.00 -0.06 -0.26 -4.11 0.00 0.00 178.44 173.93 1p72 h PHE 271 N 0.00 0.00 -0.27 0.17 0.04 -1.52 -3.38 116.94 111.98 1p72 h PHE 271 Ca 0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 1p72 h PHE 271 Cb 0.24 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1p72 h PHE 271 CO 0.00 0.00 2.62 1.17 -0.60 0.00 0.00 178.31 181.50 1p72 n LYS 272 N -2.49 2.66 -4.31 1.51 4.81 -0.99 -4.80 118.16 114.55 1p72 n LYS 272 Ca 0.05 -2.67 -0.22 0.00 -0.87 0.00 0.00 58.31 54.61 1p72 n LYS 272 Cb 0.46 -3.32 -0.11 0.00 0.02 0.00 0.00 35.03 32.07 1p72 n LYS 272 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1p72 s THR 273 N 4.29 1.74 0.31 3.15 -4.23 -1.26 0.33 115.64 119.97 1p72 s THR 273 Ca 0.52 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1p72 s THR 273 Cb 0.10 -1.77 0.29 0.00 1.34 0.00 0.00 72.50 72.47 1p72 s THR 273 CO 0.00 -0.30 1.87 1.56 -0.54 0.00 0.00 174.62 177.22 1p72 h GLN 274 N 3.39 0.92 -1.00 3.99 1.08 -1.90 -0.78 115.11 120.81 1p72 h GLN 274 Ca -0.42 -0.06 0.29 0.00 -1.45 0.00 0.00 58.65 57.01 1p72 h GLN 274 Cb 1.20 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 1p72 h GLN 274 CO 0.49 0.61 0.89 0.93 -0.95 0.00 0.00 178.83 180.80 1p72 h GLU 275 N 0.95 0.00 -0.12 1.46 5.08 -1.97 -1.35 114.58 118.64 1p72 h GLU 275 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1p72 h GLU 275 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1p72 h GLU 275 CO -0.20 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 1p72 n LEU 276 N -3.77 2.30 -4.72 1.33 4.77 -0.30 -5.02 117.00 111.59 1p72 n LEU 276 Ca 0.21 -1.27 -0.24 0.00 -0.03 0.00 0.00 56.01 54.68 1p72 n LEU 276 Cb 1.21 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 42.17 1p72 n LEU 276 CO 0.32 0.48 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.83 1p72 s LEU 277 N -1.02 3.48 0.00 2.23 1.43 -0.51 -2.31 118.68 121.97 1p72 s LEU 277 Ca 0.17 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1p72 s LEU 277 Cb 0.11 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1p72 s LEU 277 CO 0.16 0.03 0.00 -0.90 0.23 0.00 0.00 176.35 175.87 1p72 n ASP 278 N -0.65 -0.01 -0.12 2.29 5.68 0.16 -4.86 116.55 119.04 1p72 n ASP 278 Ca -0.08 -0.08 -0.12 0.00 -0.50 0.00 0.00 54.79 54.01 1p72 n ASP 278 Cb 0.57 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.52 1p72 n ASP 278 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1p72 h ASP 279 N -0.01 0.77 0.00 -1.12 2.03 -1.98 -2.90 116.42 113.21 1p72 h ASP 279 Ca 0.00 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1p72 h ASP 279 Cb 0.00 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.29 1p72 h ASP 279 CO 0.00 0.99 0.00 0.54 -1.03 0.00 0.00 179.24 179.74 1p72 n ARG 280 N -4.31 0.78 -1.85 4.15 5.12 -1.26 -4.84 116.66 114.44 1p72 n ARG 280 Ca -0.02 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.79 1p72 n ARG 280 Cb 0.40 -1.18 -0.02 0.00 -1.16 0.00 0.00 32.46 30.49 1p72 n ARG 280 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p72 n GLY 281 N 0.38 0.45 3.76 -0.13 0.00 -1.09 -5.02 105.19 103.54 1p72 n GLY 281 Ca 0.07 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1p72 n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p72 s VAL 282 N -2.50 5.41 0.26 1.61 1.01 -1.26 -4.79 120.40 120.14 1p72 s VAL 282 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1p72 s VAL 282 Cb 0.00 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.78 1p72 s VAL 282 CO 0.00 0.47 1.65 -0.51 0.00 0.00 0.00 175.10 176.71 1p72 s ILE 283 N 0.11 2.02 0.55 2.22 2.07 -1.26 0.37 121.20 127.28 1p72 s ILE 283 Ca 0.10 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.15 1p72 s ILE 283 Cb -0.11 -3.01 -0.04 0.00 0.13 0.00 0.00 42.46 39.42 1p72 s ILE 283 CO -0.00 0.00 1.32 -0.76 -1.91 0.00 0.00 174.94 173.59 1p72 s LEU 284 N 0.17 3.82 0.30 8.50 1.43 -0.98 -4.83 118.68 127.09 1p72 s LEU 284 Ca 0.68 2.68 -0.01 0.00 -1.03 0.00 0.00 54.13 56.45 1p72 s LEU 284 Cb -0.49 -4.34 0.46 0.00 0.03 0.00 0.00 46.19 41.85 1p72 s LEU 284 CO 0.42 -1.57 1.95 -0.33 0.23 0.00 0.00 176.35 177.05 1p72 h GLU 285 N 1.36 1.03 -0.54 1.70 4.39 -1.93 -1.38 114.58 119.20 1p72 h GLU 285 Ca -0.51 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.12 1p72 h GLU 285 Cb 1.30 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1p72 h GLU 285 CO 0.57 0.71 0.36 -0.24 -1.16 0.00 0.00 179.01 179.24 1p72 h VAL 286 N 1.05 1.12 0.12 3.13 3.04 -1.99 0.91 116.25 123.63 1p72 h VAL 286 Ca 0.28 -0.24 -0.30 0.00 -1.01 0.00 0.00 66.70 65.43 1p72 h VAL 286 Cb -0.07 0.35 0.03 0.00 -2.01 0.00 0.00 31.29 29.59 1p72 h VAL 286 CO -0.05 0.13 -1.23 0.45 -1.01 0.00 0.00 177.57 175.85 1p72 h HIS 287 N 0.71 1.01 -0.85 3.17 3.86 -1.73 -2.54 115.15 118.78 1p72 h HIS 287 Ca 0.20 -0.63 0.09 0.00 -1.16 0.00 0.00 60.37 58.87 1p72 h HIS 287 Cb -0.04 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.27 1p72 h HIS 287 CO -0.00 1.47 0.50 0.00 0.86 0.00 0.00 177.93 180.76 1p72 h ALA 288 N 0.28 1.21 -0.75 2.45 0.00 -0.94 -1.66 119.26 119.84 1p72 h ALA 288 Ca -0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1p72 h ALA 288 Cb 1.91 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 1p72 h ALA 288 CO 0.24 0.14 0.36 -1.49 0.00 0.00 0.00 179.25 178.49 1p72 h TRP 289 N 0.84 1.07 -0.90 0.00 6.55 -0.75 -0.86 115.95 121.89 1p72 h TRP 289 Ca 0.40 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.19 1p72 h TRP 289 Cb 0.35 -0.33 -0.04 0.00 -0.86 0.00 0.00 29.16 28.27 1p72 h TRP 289 CO -0.05 0.78 0.51 0.00 -1.05 0.00 0.00 178.44 178.62 1p72 h ALA 290 N 1.33 1.16 -0.17 1.49 0.00 -0.90 -1.22 119.26 120.94 1p72 h ALA 290 Ca 0.26 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1p72 h ALA 290 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1p72 h ALA 290 CO -0.03 0.65 -0.44 -0.07 0.00 0.00 0.00 179.25 179.36 1p72 h LEU 291 N 1.26 0.43 -0.54 0.00 3.38 -0.87 -1.82 115.31 117.15 1p72 h LEU 291 Ca 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1p72 h LEU 291 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1p72 h LEU 291 CO -0.05 0.82 0.24 0.44 0.09 0.00 0.00 178.44 179.98 1p72 h ASP 292 N 0.33 0.71 -0.39 -0.43 3.32 -0.73 -1.83 116.42 117.40 1p72 h ASP 292 Ca 0.02 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1p72 h ASP 292 Cb 0.91 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1p72 h ASP 292 CO 0.08 0.66 0.18 0.00 -1.72 0.00 0.00 179.24 178.43 1p72 h ALA 293 N 1.08 0.50 -0.46 3.45 0.00 -1.11 -0.37 119.26 122.36 1p72 h ALA 293 Ca 0.18 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p72 h ALA 293 Cb 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1p72 h ALA 293 CO -0.02 0.08 0.25 1.25 0.00 0.00 0.00 179.25 180.81 1p72 h LEU 294 N 0.49 0.38 -0.42 0.00 5.85 -1.18 0.16 115.31 120.59 1p72 h LEU 294 Ca 0.13 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1p72 h LEU 294 Cb 0.14 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1p72 h LEU 294 CO -0.02 0.27 0.25 -0.03 -0.34 0.00 0.00 178.44 178.57 1p72 h MET 295 N 0.50 0.48 -0.15 1.25 4.05 -1.14 -2.36 114.93 117.57 1p72 h MET 295 Ca 0.19 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.44 1p72 h MET 295 Cb 0.07 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1p72 h MET 295 CO -0.11 0.32 -0.50 -0.07 0.23 0.00 0.00 176.91 176.77 1p72 h LEU 296 N 0.50 0.44 -1.43 3.39 3.38 -0.51 -2.99 115.31 118.08 1p72 h LEU 296 Ca 0.17 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1p72 h LEU 296 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1p72 h LEU 296 CO -0.08 0.87 -0.24 0.11 0.09 0.00 0.00 178.44 179.19 1p72 h LYS 297 N 0.32 0.00 0.00 1.13 1.57 -0.71 -2.80 116.57 116.08 1p72 h LYS 297 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1p72 h LYS 297 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1p72 h LYS 297 CO 0.09 0.24 -0.53 1.28 -0.57 0.00 0.00 179.45 179.95 1p72 n LEU 298 N -3.65 0.52 -0.20 2.94 4.77 -0.91 -2.45 117.00 118.02 1p72 n LEU 298 Ca -0.01 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1p72 n LEU 298 Cb 0.36 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1p72 n LEU 298 CO 0.34 0.08 1.03 -0.09 -1.33 0.00 0.00 177.39 177.42 1p72 h ARG 299 N 0.00 0.51 -0.92 3.23 9.65 -1.38 -1.99 114.38 123.48 1p72 h ARG 299 Ca 0.00 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1p72 h ARG 299 Cb 0.55 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1p72 h ARG 299 CO 0.00 0.34 0.04 0.09 2.80 0.00 0.00 179.97 183.23 1p72 n ASN 300 N -4.89 2.38 -4.24 -3.80 3.02 -1.26 -4.67 115.26 101.80 1p72 n ASN 300 Ca 0.08 -2.26 -0.40 0.00 -0.03 0.00 0.00 54.58 51.96 1p72 n ASN 300 Cb 0.21 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 1p72 n ASN 300 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p72 s LEU 301 N -0.70 5.40 -0.23 3.41 1.43 -0.75 -1.81 118.68 125.44 1p72 s LEU 301 Ca 0.13 -1.70 -0.29 0.00 -1.03 0.00 0.00 54.13 51.24 1p72 s LEU 301 Cb 0.10 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1p72 s LEU 301 CO 0.04 -0.61 1.37 0.21 0.23 0.00 0.00 176.35 177.59 1p72 s ASN 302 N 2.36 6.71 -0.13 2.29 3.04 -0.48 -4.81 114.94 123.93 1p72 s ASN 302 Ca 0.04 1.51 -0.05 0.00 0.04 0.00 0.00 52.86 54.40 1p72 s ASN 302 Cb -0.24 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 1p72 s ASN 302 CO 0.01 -1.00 0.06 0.54 -3.04 0.00 0.00 177.10 173.67 1p72 s VAL 303 N 4.22 4.85 0.04 -5.21 0.11 -1.26 -0.69 120.40 122.46 1p72 s VAL 303 Ca 0.60 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1p72 s VAL 303 Cb -0.21 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 1p72 s VAL 303 CO 0.22 0.56 -0.03 -0.36 -3.33 0.00 0.00 175.10 172.16 1p72 s PHE 304 N -0.49 0.43 0.24 1.54 0.40 -0.18 -4.97 117.98 114.96 1p72 s PHE 304 Ca 0.10 -0.89 0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1p72 s PHE 304 Cb -0.12 -0.32 -0.05 0.00 0.51 0.00 0.00 43.02 43.04 1p72 s PHE 304 CO 0.02 -0.32 -0.20 -1.54 0.70 0.00 0.00 175.22 173.88 1p72 s SER 305 N -2.46 3.63 -0.09 1.36 1.04 -1.26 -0.79 113.70 115.14 1p72 s SER 305 Ca -0.00 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 1p72 s SER 305 Cb 0.02 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.85 1p72 s SER 305 CO -0.07 0.07 0.19 0.00 0.98 0.00 0.00 173.24 174.40 1p72 s ALA 306 N -2.16 -0.29 0.10 5.32 0.00 -0.15 -4.86 121.76 119.72 1p72 s ALA 306 Ca 0.27 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1p72 s ALA 306 Cb -0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1p72 s ALA 306 CO 0.13 -0.49 1.19 0.34 0.00 0.00 0.00 175.76 176.93 1p72 s ASP 307 N 2.07 7.10 -0.37 0.00 2.15 -1.26 -1.14 116.67 125.23 1p72 s ASP 307 Ca -0.00 2.06 0.06 0.00 0.43 0.00 0.00 52.55 55.10 1p72 s ASP 307 Cb -0.12 -2.59 0.53 0.00 -0.30 0.00 0.00 42.92 40.44 1p72 s ASP 307 CO -0.07 -0.42 1.59 0.18 -0.17 0.00 0.00 175.17 176.28 1p72 n LEU 308 N 3.51 5.14 0.21 -1.34 4.77 -0.41 -4.69 117.00 124.18 1p72 n LEU 308 Ca 0.07 -3.94 0.13 0.00 -0.03 0.00 0.00 56.01 52.25 1p72 n LEU 308 Cb 0.46 -0.68 0.30 0.00 -2.33 0.00 0.00 43.42 41.17 1p72 n LEU 308 CO 0.55 1.36 0.85 0.77 -1.33 0.00 0.00 177.39 179.60 1p72 h SER 309 N 1.26 0.00 -2.85 -1.43 4.64 -1.93 -3.46 113.55 109.77 1p72 h SER 309 Ca 0.37 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.41 1p72 h SER 309 Cb 1.77 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.99 1p72 h SER 309 CO 0.71 0.00 0.12 0.61 -0.87 0.00 0.00 176.83 177.40 1p72 n GLY 310 N 0.93 -2.40 3.68 -0.77 0.00 -1.26 -5.04 105.19 100.32 1p72 n GLY 310 Ca 0.04 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1p72 n GLY 310 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p72 s THR 311 N -2.46 2.53 0.27 2.61 -4.23 -1.26 -4.67 115.64 108.43 1p72 s THR 311 Ca 0.48 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1p72 s THR 311 Cb -0.04 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.56 1p72 s THR 311 CO 0.36 -0.23 1.76 -0.65 -0.54 0.00 0.00 174.62 175.33 1p72 h PRO 312 N -1.72 0.62 -0.29 3.99 0.11 -1.96 0.96 132.00 133.71 1p72 h PRO 312 Ca -0.49 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1p72 h PRO 312 Cb 1.28 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1p72 h PRO 312 CO 0.51 0.41 0.09 -0.09 -0.21 0.00 0.00 178.00 178.70 1p72 h ARG 313 N 0.64 0.20 -0.61 1.05 2.43 -1.95 -1.09 114.38 115.05 1p72 h ARG 313 Ca 0.48 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.60 1p72 h ARG 313 Cb 0.69 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1p72 h ARG 313 CO -0.37 0.13 0.25 1.96 -1.51 0.00 0.00 179.97 180.43 1p72 h GLN 314 N 0.21 0.91 -0.51 0.20 4.20 -1.79 -1.99 115.11 116.33 1p72 h GLN 314 Ca 0.13 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1p72 h GLN 314 Cb 0.11 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1p72 h GLN 314 CO -0.15 0.77 0.27 0.00 -0.67 0.00 0.00 178.83 179.05 1p72 h ALA 316 N 1.26 1.29 -0.37 0.00 0.00 -1.11 -1.74 119.26 118.59 1p72 h ALA 316 Ca 0.22 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1p72 h ALA 316 Cb 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1p72 h ALA 316 CO -0.14 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 1p72 h ALA 317 N 1.38 0.68 -0.01 0.00 0.00 -0.67 -0.99 119.26 119.64 1p72 h ALA 317 Ca 0.37 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1p72 h ALA 317 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1p72 h ALA 317 CO -0.09 0.67 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 1p72 h VAL 318 N 0.71 0.74 -0.18 0.00 2.07 -0.56 -0.51 116.25 118.53 1p72 h VAL 318 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1p72 h VAL 318 Cb 0.92 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1p72 h VAL 318 CO 0.08 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.35 1p72 h VAL 319 N -0.17 1.11 0.00 2.57 2.07 -1.23 -2.85 116.25 117.76 1p72 h VAL 319 Ca 0.04 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1p72 h VAL 319 Cb 0.22 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1p72 h VAL 319 CO -0.11 0.11 -0.15 -0.08 0.02 0.00 0.00 177.57 177.36 1p72 h GLU 320 N 0.18 0.00 0.00 1.57 4.81 -1.05 -1.98 114.58 118.10 1p72 h GLU 320 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1p72 h GLU 320 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1p72 h GLU 320 CO -0.01 0.15 0.00 -1.13 -0.73 0.00 0.00 179.01 177.29 1p72 n SER 321 N -3.89 0.56 0.06 1.04 3.41 -0.21 -2.29 113.62 112.31 1p72 n SER 321 Ca -0.02 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1p72 n SER 321 Cb 0.24 -0.79 0.46 0.00 -0.26 0.00 0.00 64.21 63.86 1p72 n SER 321 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p72 n LEU 322 N -2.18 0.52 -0.28 1.04 4.77 -0.74 -4.37 117.00 115.76 1p72 n LEU 322 Ca 0.01 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 1p72 n LEU 322 Cb 0.14 -0.37 0.21 0.00 -2.33 0.00 0.00 43.42 41.07 1p72 n LEU 322 CO 0.15 -0.10 1.08 -0.07 -1.33 0.00 0.00 177.39 177.12 1p72 h LEU 323 N 0.00 0.48 -2.70 2.23 3.38 -1.63 -0.65 115.31 116.43 1p72 h LEU 323 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1p72 h LEU 323 Cb 0.65 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1p72 h LEU 323 CO 0.00 0.21 0.08 -0.65 0.09 0.00 0.00 178.44 178.17 1p72 h PRO 324 N 0.59 0.00 -0.00 1.13 0.11 -1.77 -1.32 132.00 130.74 1p72 h PRO 324 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1p72 h PRO 324 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1p72 h PRO 324 CO -0.36 0.00 -0.63 1.28 -0.21 0.00 0.00 178.00 178.09 1p72 n LEU 325 N -3.16 0.96 -4.89 2.35 4.77 -0.26 -3.52 117.00 113.25 1p72 n LEU 325 Ca -0.02 -0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.35 1p72 n LEU 325 Cb 0.15 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1p72 n LEU 325 CO 0.20 0.21 0.34 -0.04 -1.33 0.00 0.00 177.39 176.77 1p72 s MET 326 N -2.85 3.73 0.31 3.23 -1.94 -0.50 -4.95 119.30 116.32 1p72 s MET 326 Ca 0.13 0.29 -0.29 0.00 -1.71 0.00 0.00 55.69 54.11 1p72 s MET 326 Cb 0.17 -2.50 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 1p72 s MET 326 CO 0.71 0.08 1.25 -1.12 -0.01 0.00 0.00 175.02 175.93 1p72 s SER 327 N -3.11 6.92 0.23 3.03 0.01 -1.26 -4.26 113.70 115.26 1p72 s SER 327 Ca 0.48 2.55 0.10 0.00 1.31 0.00 0.00 55.95 60.40 1p72 s SER 327 Cb -0.10 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 1p72 s SER 327 CO 0.30 -0.43 -0.19 -0.94 0.41 0.00 0.00 173.24 172.39 1p72 s SER 328 N -0.51 3.18 0.41 2.44 1.04 -0.13 -4.42 113.70 115.70 1p72 s SER 328 Ca 0.48 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 56.01 1p72 s SER 328 Cb -0.37 -0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.44 1p72 s SER 328 CO 0.48 -0.01 0.01 0.42 0.98 0.00 0.00 173.24 175.13 1p72 s THR 329 N -2.41 2.01 -0.35 2.02 -4.23 -0.15 -1.82 115.64 110.71 1p72 s THR 329 Ca 0.24 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1p72 s THR 329 Cb -0.05 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.85 1p72 s THR 329 CO 0.11 -0.00 0.11 -0.76 -0.54 0.00 0.00 174.62 173.54 1p72 s LEU 330 N -3.71 4.40 0.00 4.79 1.43 0.19 -1.44 118.68 124.34 1p72 s LEU 330 Ca 0.35 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1p72 s LEU 330 Cb 0.10 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1p72 s LEU 330 CO 0.18 -0.35 0.00 -0.24 0.23 0.00 0.00 176.35 176.17 1p72 n SER 331 N 4.78 1.19 -4.01 2.29 2.88 0.12 -3.38 113.62 117.49 1p72 n SER 331 Ca -0.12 -0.45 -0.19 0.00 -1.33 0.00 0.00 58.87 56.79 1p72 n SER 331 Cb 0.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 1p72 n SER 331 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1p72 s ASP 332 N -0.34 1.53 0.27 -3.46 3.84 -1.26 -0.71 116.67 116.53 1p72 s ASP 332 Ca 0.00 -1.55 -0.03 0.00 -0.00 0.00 0.00 52.55 50.97 1p72 s ASP 332 Cb 0.00 0.37 0.34 0.00 -1.38 0.00 0.00 42.92 42.26 1p72 s ASP 332 CO 0.00 -0.88 1.86 0.15 -0.00 0.00 0.00 175.17 176.30 1p72 h PHE 333 N 2.22 1.03 -0.27 2.11 3.57 -1.26 0.90 116.94 125.23 1p72 h PHE 333 Ca -0.34 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 1p72 h PHE 333 Cb 1.25 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1p72 h PHE 333 CO 1.00 0.76 -0.10 -0.44 -2.23 0.00 0.00 178.31 177.30 1p72 h ASP 334 N 1.02 0.56 -0.48 0.41 3.32 -1.96 0.54 116.42 119.82 1p72 h ASP 334 Ca 0.24 -0.39 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1p72 h ASP 334 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1p72 h ASP 334 CO -0.03 0.82 -0.14 0.28 -1.72 0.00 0.00 179.24 178.46 1p72 h SER 335 N 0.29 0.95 -0.80 6.45 0.02 -1.82 0.09 113.55 118.73 1p72 h SER 335 Ca 0.06 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1p72 h SER 335 Cb 0.60 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1p72 h SER 335 CO 0.03 1.10 0.50 0.00 -1.14 0.00 0.00 176.83 177.32 1p72 h ALA 336 N 0.88 1.02 -0.73 3.77 0.00 -0.82 0.32 119.26 123.69 1p72 h ALA 336 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p72 h ALA 336 Cb 0.69 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1p72 h ALA 336 CO 0.05 0.46 0.44 0.77 0.00 0.00 0.00 179.25 180.98 1p72 h SER 337 N 1.09 0.88 -0.55 0.00 0.02 -0.70 -1.36 113.55 112.93 1p72 h SER 337 Ca 0.29 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1p72 h SER 337 Cb -0.07 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1p72 h SER 337 CO -0.06 0.68 0.23 0.00 -1.14 0.00 0.00 176.83 176.55 1p72 h ALA 338 N 1.23 1.31 -0.62 3.77 0.00 -0.47 -1.88 119.26 122.60 1p72 h ALA 338 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1p72 h ALA 338 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1p72 h ALA 338 CO -0.05 0.51 0.24 -0.07 0.00 0.00 0.00 179.25 179.88 1p72 h LEU 339 N 0.84 0.86 -0.32 0.00 3.38 -0.44 0.56 115.31 120.18 1p72 h LEU 339 Ca 0.20 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1p72 h LEU 339 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1p72 h LEU 339 CO -0.02 0.80 0.18 -0.08 0.09 0.00 0.00 178.44 179.41 1p72 h GLU 340 N 0.86 0.36 -0.84 1.13 4.57 -1.04 0.84 114.58 120.47 1p72 h GLU 340 Ca 0.20 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1p72 h GLU 340 Cb 0.22 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1p72 h GLU 340 CO -0.02 0.24 0.47 0.00 -1.18 0.00 0.00 179.01 178.52 1p72 h ARG 341 N 0.37 1.17 -0.58 1.92 3.08 -1.13 -0.29 114.38 118.92 1p72 h ARG 341 Ca 0.13 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1p72 h ARG 341 Cb 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1p72 h ARG 341 CO -0.07 0.85 0.35 0.00 -1.07 0.00 0.00 179.97 180.04 1p72 h ALA 342 N 1.25 0.74 -0.27 0.04 0.00 -0.52 0.15 119.26 120.65 1p72 h ALA 342 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1p72 h ALA 342 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1p72 h ALA 342 CO -0.05 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.54 1p72 h ALA 343 N 1.18 0.35 -0.33 0.00 0.00 -0.51 -0.17 119.26 119.77 1p72 h ALA 343 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1p72 h ALA 343 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1p72 h ALA 343 CO -0.04 -0.08 0.17 0.00 0.00 0.00 0.00 179.25 179.31 1p72 h ARG 344 N 0.29 0.35 -0.27 0.00 3.08 -0.75 -0.98 114.38 116.10 1p72 h ARG 344 Ca 0.09 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1p72 h ARG 344 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1p72 h ARG 344 CO -0.01 0.23 0.02 1.15 -1.07 0.00 0.00 179.97 180.29 1p72 h THR 345 N 0.36 1.24 -0.60 2.04 2.02 -0.90 -2.20 112.91 114.87 1p72 h THR 345 Ca 0.14 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 1p72 h THR 345 Cb 0.04 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1p72 h THR 345 CO -0.09 0.27 0.03 0.15 0.37 0.00 0.00 175.52 176.26 1p72 h PHE 346 N 0.26 1.13 -0.56 3.16 3.04 -0.92 0.56 116.94 123.61 1p72 h PHE 346 Ca 0.08 -0.18 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1p72 h PHE 346 Cb 0.37 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1p72 h PHE 346 CO 0.03 0.99 0.34 -0.91 -2.02 0.00 0.00 178.31 176.74 1p72 h ASN 347 N 0.94 0.67 -0.02 0.41 2.35 -1.14 -1.40 115.58 117.38 1p72 h ASN 347 Ca 0.17 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1p72 h ASN 347 Cb 0.52 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1p72 h ASN 347 CO 0.02 0.53 -0.00 0.00 -1.65 0.00 0.00 177.43 176.33 1p72 h ALA 348 N 1.17 0.03 0.00 -0.83 0.00 -1.14 -3.04 119.26 115.45 1p72 h ALA 348 Ca 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1p72 h ALA 348 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1p72 h ALA 348 CO -0.04 -0.30 -0.23 0.93 0.00 0.00 0.00 179.25 179.61 1p72 h GLU 349 N -0.27 0.00 0.00 0.00 5.08 -0.89 -3.20 114.58 115.30 1p72 h GLU 349 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1p72 h GLU 349 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1p72 h GLU 349 CO 0.00 0.23 -0.69 -1.33 -1.00 0.00 0.00 179.01 176.22 1p72 n MET 350 N -3.22 0.04 -2.00 2.33 2.81 -0.53 -4.68 117.12 111.87 1p72 n MET 350 Ca 0.02 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.54 1p72 n MET 350 Cb 0.55 -1.52 0.02 0.00 -0.71 0.00 0.00 33.22 31.57 1p72 n MET 350 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p72 s GLY 351 N -3.10 2.82 0.00 3.03 0.00 -1.15 -0.24 107.32 108.68 1p72 s GLY 351 Ca 0.09 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1p72 s GLY 351 CO 0.76 1.61 0.00 -0.62 0.00 0.00 0.00 173.10 174.84