#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brm s LYS 2 N 0.00 4.26 -0.45 0.03 1.02 -1.26 -4.77 119.74 118.56 1brm s LYS 2 Ca 0.00 1.07 -0.22 0.00 0.02 0.00 0.00 55.97 56.84 1brm s LYS 2 Cb 0.00 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1brm s LYS 2 CO 0.00 0.08 0.74 -0.80 -0.92 0.00 0.00 175.35 174.45 1brm s ASN 3 N -2.07 6.37 -0.17 2.83 -0.87 -1.26 -1.09 114.94 118.68 1brm s ASN 3 Ca 0.58 -0.22 -0.06 0.00 -1.57 0.00 0.00 52.86 51.58 1brm s ASN 3 Cb -0.11 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 1brm s ASN 3 CO 0.16 -0.89 0.03 -0.69 -2.57 0.00 0.00 177.10 173.14 1brm s VAL 4 N 3.16 4.52 -0.12 1.60 1.01 0.86 -1.05 120.40 130.37 1brm s VAL 4 Ca 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1brm s VAL 4 Cb -0.13 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1brm s VAL 4 CO 0.21 0.47 0.04 -0.83 0.00 0.00 0.00 175.10 174.99 1brm s GLY 5 N 0.36 1.90 -0.14 4.51 0.00 0.36 -0.50 107.32 113.81 1brm s GLY 5 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1brm s GLY 5 CO 0.01 -0.33 -0.15 -1.36 0.00 0.00 0.00 173.10 171.26 1brm s PHE 6 N -0.47 2.77 -0.06 1.90 0.08 -0.35 -0.35 117.98 121.50 1brm s PHE 6 Ca 0.09 -0.89 0.06 0.00 0.12 0.00 0.00 56.93 56.31 1brm s PHE 6 Cb -0.12 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1brm s PHE 6 CO 0.02 -0.37 -0.23 0.42 -0.10 0.00 0.00 175.22 174.96 1brm s ILE 7 N 0.59 1.93 -0.70 0.64 1.09 -0.63 -2.05 121.20 122.07 1brm s ILE 7 Ca -0.09 -1.00 -0.01 0.00 -1.10 0.00 0.00 60.65 58.45 1brm s ILE 7 Cb -0.16 -1.64 0.00 0.00 -1.06 0.00 0.00 42.46 39.61 1brm s ILE 7 CO 0.03 0.54 0.17 0.61 -0.10 0.00 0.00 174.94 176.19 1brm n GLY 8 N 3.00 0.11 0.07 6.18 0.00 -1.26 -0.87 105.19 112.41 1brm n GLY 8 Ca -0.18 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1brm n GLY 8 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1brm n TRP 9 N -3.86 0.57 0.09 1.61 4.27 -1.26 -3.16 117.44 115.69 1brm n TRP 9 Ca -0.07 0.17 -0.17 0.00 -3.89 0.00 0.00 57.50 53.54 1brm n TRP 9 Cb 0.56 -0.77 -0.14 0.00 -1.36 0.00 0.00 31.31 29.60 1brm n TRP 9 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1brm h ARG 10 N 0.00 0.27 -6.79 -2.67 3.08 -1.91 -2.68 114.38 103.69 1brm h ARG 10 Ca 0.00 -0.47 -0.44 0.00 0.07 0.00 0.00 59.98 59.15 1brm h ARG 10 Cb 0.63 0.17 0.23 0.00 0.08 0.00 0.00 29.97 31.08 1brm h ARG 10 CO 0.00 1.19 -0.74 0.41 -1.07 0.00 0.00 179.97 179.76 1brm n GLY 11 N 1.59 -2.45 0.29 0.04 0.00 -1.19 -4.42 105.19 99.05 1brm n GLY 11 Ca -0.12 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 1brm n GLY 11 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1brm h MET 12 N -2.36 -0.60 -0.44 1.61 4.05 -1.90 0.50 114.93 115.79 1brm h MET 12 Ca -0.56 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 58.93 1brm h MET 12 Cb 1.34 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.24 1brm h MET 12 CO 0.41 -0.40 0.24 0.28 0.23 0.00 0.00 176.91 177.66 1brm h VAL 13 N -0.62 1.00 -0.26 -5.77 2.07 -1.91 -1.59 116.25 109.17 1brm h VAL 13 Ca -0.04 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1brm h VAL 13 Cb 0.52 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1brm h VAL 13 CO 0.03 0.09 -0.11 1.23 0.02 0.00 0.00 177.57 178.83 1brm h GLY 14 N 0.47 0.13 0.18 2.17 0.00 -1.56 -1.48 103.07 102.98 1brm h GLY 14 Ca 0.19 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.81 1brm h GLY 14 CO -0.11 -0.13 0.49 1.76 0.00 0.00 0.00 176.54 178.54 1brm h SER 15 N -0.06 0.60 -0.13 0.19 0.02 0.87 0.06 113.55 115.10 1brm h SER 15 Ca 0.14 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 1brm h SER 15 Cb 0.27 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1brm h SER 15 CO -0.31 0.23 -0.38 0.58 -1.14 0.00 0.00 176.83 175.81 1brm h VAL 16 N 0.66 1.29 -0.35 2.27 2.07 -0.58 -1.58 116.25 120.03 1brm h VAL 16 Ca 0.50 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1brm h VAL 16 Cb 0.73 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1brm h VAL 16 CO -0.37 0.49 0.08 0.25 0.02 0.00 0.00 177.57 178.04 1brm h LEU 17 N 0.54 0.53 0.49 2.57 5.85 -0.13 -0.31 115.31 124.84 1brm h LEU 17 Ca 0.05 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1brm h LEU 17 Cb 0.90 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1brm h LEU 17 CO 0.08 0.62 -0.24 0.24 -0.34 0.00 0.00 178.44 178.81 1brm h MET 18 N 0.41 -0.64 -0.47 1.25 2.86 -0.95 -0.15 114.93 117.25 1brm h MET 18 Ca 0.11 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1brm h MET 18 Cb 0.30 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.01 1brm h MET 18 CO 0.00 -0.37 -0.21 1.96 1.06 0.00 0.00 176.91 179.36 1brm h GLN 19 N -0.78 -0.10 -0.31 1.72 4.20 -1.26 0.37 115.11 118.94 1brm h GLN 19 Ca -0.07 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1brm h GLN 19 Cb 0.56 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1brm h GLN 19 CO 0.11 -0.07 0.03 0.00 -0.67 0.00 0.00 178.83 178.23 1brm h ARG 20 N -0.11 0.13 -0.09 1.46 2.47 -0.95 0.23 114.38 117.53 1brm h ARG 20 Ca 0.22 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1brm h ARG 20 Cb 0.45 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1brm h ARG 20 CO -0.54 0.08 0.04 0.52 0.56 0.00 0.00 179.97 180.64 1brm h MET 21 N 0.13 0.09 -0.81 0.04 2.86 0.38 -0.92 114.93 116.69 1brm h MET 21 Ca 0.15 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 1brm h MET 21 Cb 0.18 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.74 1brm h MET 21 CO -0.22 0.06 0.43 0.28 1.06 0.00 0.00 176.91 178.52 1brm h VAL 22 N 0.09 0.83 -0.46 -2.22 2.07 0.08 -0.08 116.25 116.56 1brm h VAL 22 Ca 0.03 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1brm h VAL 22 Cb 0.01 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1brm h VAL 22 CO -0.03 0.13 0.27 -0.08 0.02 0.00 0.00 177.57 177.87 1brm h GLU 23 N 0.69 0.52 -0.66 1.57 4.81 -0.10 -2.67 114.58 118.74 1brm h GLU 23 Ca 0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1brm h GLU 23 Cb 0.47 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1brm h GLU 23 CO -0.29 0.34 0.00 0.39 -0.73 0.00 0.00 179.01 178.72 1brm n GLU 24 N -4.84 3.32 -4.14 1.92 -0.58 -0.43 -4.91 120.64 110.97 1brm n GLU 24 Ca 0.03 -2.08 -0.33 0.00 -0.42 0.00 0.00 57.16 54.35 1brm n GLU 24 Cb 0.08 -1.88 -0.03 0.00 -0.57 0.00 0.00 31.44 29.04 1brm n GLU 24 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1brm n ARG 25 N 0.57 -3.23 -0.11 3.49 0.00 -0.18 -4.86 116.66 112.33 1brm n ARG 25 Ca 0.19 0.38 -0.04 0.00 -0.00 0.00 0.00 57.85 58.38 1brm n ARG 25 Cb 0.79 -4.90 0.18 0.00 -0.00 0.00 0.00 32.46 28.53 1brm n ARG 25 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1brm h ASP 26 N -1.64 0.76 0.63 2.89 5.19 -1.45 -3.07 116.42 119.73 1brm h ASP 26 Ca -0.60 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1brm h ASP 26 Cb 1.38 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 1brm h ASP 26 CO 0.73 0.79 -0.01 -0.26 -3.12 0.00 0.00 179.24 177.37 1brm h PHE 27 N 0.76 0.00 -0.29 4.55 0.04 -1.89 -3.31 116.94 116.80 1brm h PHE 27 Ca 0.16 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.00 1brm h PHE 27 Cb 0.38 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.45 1brm h PHE 27 CO 0.02 0.01 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.11 1brm h ASP 28 N 0.00 -0.62 0.21 2.17 3.32 -1.89 -2.72 116.42 116.89 1brm h ASP 28 Ca -0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1brm h ASP 28 Cb 0.33 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1brm h ASP 28 CO 0.00 -0.22 -0.01 0.00 -1.72 0.00 0.00 179.24 177.29 1brm n ALA 29 N -2.76 2.62 -2.57 3.45 0.00 -1.25 -4.91 120.51 115.11 1brm n ALA 29 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 1brm n ALA 29 Cb 0.26 -1.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 1brm n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1brm s ILE 30 N -2.21 0.92 -0.35 0.00 -4.36 -1.03 -4.41 121.20 109.76 1brm s ILE 30 Ca 0.40 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1brm s ILE 30 Cb 0.21 -2.43 0.08 0.00 1.25 0.00 0.00 42.46 41.58 1brm s ILE 30 CO 0.40 0.00 0.09 -0.60 0.24 0.00 0.00 174.94 175.08 1brm s ARG 31 N -3.78 2.17 0.10 0.37 3.52 -0.25 -4.93 118.95 116.15 1brm s ARG 31 Ca 0.23 -1.55 -0.26 0.00 -0.13 0.00 0.00 55.73 54.01 1brm s ARG 31 Cb 0.04 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.00 1brm s ARG 31 CO 0.12 -0.84 0.81 -1.25 -0.81 0.00 0.00 175.30 173.33 1brm s PRO 32 N 1.18 4.57 -0.07 5.12 0.04 -1.26 -0.09 135.00 144.48 1brm s PRO 32 Ca 0.02 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.26 1brm s PRO 32 Cb -0.21 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1brm s PRO 32 CO -0.03 0.37 -0.13 0.08 0.04 0.00 0.00 177.00 177.33 1brm s VAL 33 N -0.44 1.23 -0.12 -0.36 1.01 0.35 -4.93 120.40 117.13 1brm s VAL 33 Ca 0.39 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1brm s VAL 33 Cb -0.22 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1brm s VAL 33 CO 0.26 0.38 -0.05 -0.36 0.00 0.00 0.00 175.10 175.32 1brm s PHE 34 N 0.68 2.98 0.27 5.22 0.08 -1.26 -1.20 117.98 124.75 1brm s PHE 34 Ca -0.14 -0.20 0.09 0.00 0.12 0.00 0.00 56.93 56.79 1brm s PHE 34 Cb -0.16 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1brm s PHE 34 CO 0.04 0.09 0.06 -0.06 -0.10 0.00 0.00 175.22 175.25 1brm s PHE 35 N -0.08 2.79 -0.21 0.36 0.40 -0.87 -0.92 117.98 119.45 1brm s PHE 35 Ca 0.01 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 55.83 1brm s PHE 35 Cb -0.13 -1.31 0.14 0.00 0.51 0.00 0.00 43.02 42.24 1brm s PHE 35 CO 0.03 0.56 1.11 0.45 0.70 0.00 0.00 175.22 178.06 1brm s SER 36 N -3.74 -0.29 0.14 1.36 0.15 -0.91 -4.58 113.70 105.83 1brm s SER 36 Ca 0.33 0.37 0.17 0.00 0.70 0.00 0.00 55.95 57.51 1brm s SER 36 Cb -0.06 0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1brm s SER 36 CO 0.21 -0.23 1.04 0.71 1.20 0.00 0.00 173.24 176.17 1brm h THR 37 N 2.62 0.54 0.00 6.45 1.35 -1.98 -3.27 112.91 118.62 1brm h THR 37 Ca -0.18 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1brm h THR 37 Cb 1.17 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1brm h THR 37 CO 0.26 0.31 0.00 -0.24 -0.25 0.00 0.00 175.52 175.60 1brm n SER 38 N -2.97 0.00 -3.62 5.36 2.88 -1.26 -4.64 113.62 109.37 1brm n SER 38 Ca -0.05 0.11 -0.41 0.00 -1.33 0.00 0.00 58.87 57.19 1brm n SER 38 Cb 0.78 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.25 1brm n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1brm n GLN 39 N -0.41 5.08 -1.63 -1.46 6.02 -1.26 -5.01 117.38 118.71 1brm n GLN 39 Ca 0.00 -4.25 -0.43 0.00 -0.01 0.00 0.00 57.00 52.31 1brm n GLN 39 Cb 0.00 -2.54 -0.03 0.00 1.02 0.00 0.00 30.24 28.69 1brm n GLN 39 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1brm n LEU 40 N 0.70 3.69 0.00 1.08 -0.00 -1.26 -1.41 117.00 119.80 1brm n LEU 40 Ca 0.50 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 57.10 1brm n LEU 40 Cb 0.26 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.16 1brm n LEU 40 CO 0.59 -0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 1brm n GLY 41 N 5.13 2.03 3.46 1.47 0.00 0.30 -4.91 105.19 112.66 1brm n GLY 41 Ca 0.25 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1brm n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1brm n GLN 42 N 0.00 -2.07 -1.45 1.61 1.13 -0.50 -4.09 117.38 112.01 1brm n GLN 42 Ca 0.00 -0.57 -0.44 0.00 -1.94 0.00 0.00 57.00 54.05 1brm n GLN 42 Cb 0.00 -2.10 -0.01 0.00 0.11 0.00 0.00 30.24 28.24 1brm n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brm n ALA 43 N -4.79 -1.82 -2.67 -1.58 0.00 -1.26 -1.31 120.51 107.08 1brm n ALA 43 Ca 0.04 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 1brm n ALA 43 Cb 0.55 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1brm n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1brm s ALA 44 N -1.29 3.75 0.33 0.00 0.00 -0.79 -4.44 121.76 119.31 1brm s ALA 44 Ca 0.62 -0.40 0.26 0.00 0.00 0.00 0.00 51.96 52.43 1brm s ALA 44 Cb -0.72 -2.23 1.09 0.00 0.00 0.00 0.00 23.12 21.26 1brm s ALA 44 CO 0.59 0.49 1.10 -2.30 0.00 0.00 0.00 175.76 175.63 1brm n PRO 45 N 2.09 -0.02 -3.51 0.00 -0.01 -1.26 -4.63 135.00 127.65 1brm n PRO 45 Ca -0.16 0.85 -0.21 0.00 -0.01 0.00 0.00 63.50 63.97 1brm n PRO 45 Cb 0.53 -1.74 0.08 0.00 -0.01 0.00 0.00 33.50 32.36 1brm n PRO 45 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 1brm n SER 46 N -3.92 -5.12 0.02 2.55 3.41 -1.26 -4.92 113.62 104.38 1brm n SER 46 Ca 0.29 -0.54 -0.19 0.00 -0.26 0.00 0.00 58.87 58.17 1brm n SER 46 Cb 1.18 -4.91 -0.11 0.00 -0.26 0.00 0.00 64.21 60.10 1brm n SER 46 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1brm h PHE 47 N -2.41 0.72 -0.27 7.33 0.04 -1.88 -3.16 116.94 117.32 1brm h PHE 47 Ca -0.56 -0.41 -0.18 0.00 2.80 0.00 0.00 57.97 59.63 1brm h PHE 47 Cb 1.35 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 39.35 1brm h PHE 47 CO 0.47 1.25 0.23 0.41 -0.60 0.00 0.00 178.31 180.06 1brm n GLY 48 N 1.16 3.29 2.05 -1.45 0.00 -1.26 -4.70 105.19 104.29 1brm n GLY 48 Ca -0.11 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1brm n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brm n GLY 49 N 0.73 1.26 3.89 -0.02 0.00 -1.19 -4.89 105.19 104.96 1brm n GLY 49 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1brm n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1brm s THR 50 N -2.12 3.74 -0.23 2.61 -1.32 -1.26 -5.05 115.64 112.01 1brm s THR 50 Ca 0.00 0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1brm s THR 50 Cb 0.00 -3.54 0.08 0.00 -1.51 0.00 0.00 72.50 67.53 1brm s THR 50 CO 0.00 -0.67 0.08 0.42 -2.21 0.00 0.00 174.62 172.23 1brm s THR 51 N -3.23 0.39 0.00 5.08 -4.23 -1.26 -4.22 115.64 108.16 1brm s THR 51 Ca 0.56 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1brm s THR 51 Cb -0.11 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1brm s THR 51 CO 0.50 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1brm n GLY 52 N 5.08 3.93 3.06 3.99 0.00 -1.26 -5.04 105.19 114.95 1brm n GLY 52 Ca -0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1brm n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1brm s THR 53 N -1.44 0.18 -0.03 2.61 -4.23 -1.26 -1.89 115.64 109.57 1brm s THR 53 Ca 0.00 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.73 1brm s THR 53 Cb 0.00 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1brm s THR 53 CO 0.00 -0.81 1.33 -0.76 -0.54 0.00 0.00 174.62 173.84 1brm s LEU 54 N -2.41 4.29 0.45 4.79 1.43 -0.42 -4.62 118.68 122.19 1brm s LEU 54 Ca -0.01 1.98 -0.03 0.00 -1.03 0.00 0.00 54.13 55.04 1brm s LEU 54 Cb 0.02 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1brm s LEU 54 CO -0.07 -0.68 0.72 -1.10 0.23 0.00 0.00 176.35 175.45 1brm s GLN 55 N 2.46 3.45 -0.14 1.70 -1.52 -0.09 0.11 119.66 125.63 1brm s GLN 55 Ca 0.61 -0.00 -0.29 0.00 -1.95 0.00 0.00 55.36 53.72 1brm s GLN 55 Cb -0.28 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1brm s GLN 55 CO 0.24 -0.15 1.31 0.34 -0.25 0.00 0.00 175.29 176.78 1brm s ASP 56 N -4.11 6.91 0.00 5.90 -1.08 -1.26 -2.15 116.67 120.88 1brm s ASP 56 Ca 0.46 1.77 0.19 0.00 -0.52 0.00 0.00 52.55 54.45 1brm s ASP 56 Cb -0.10 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.72 1brm s ASP 56 CO 0.42 -0.78 1.59 0.00 0.52 0.00 0.00 175.17 176.93 1brm n ALA 57 N 6.60 1.95 -0.90 3.66 0.00 -1.23 -2.34 120.51 128.25 1brm n ALA 57 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1brm n ALA 57 Cb 0.45 -1.31 0.19 0.00 0.00 0.00 0.00 19.45 18.78 1brm n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1brm n PHE 58 N -1.36 0.50 -3.51 0.00 3.72 -1.26 -4.91 117.46 110.64 1brm n PHE 58 Ca 0.07 -0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 56.18 1brm n PHE 58 Cb 0.18 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.40 1brm n PHE 58 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1brm s ASP 59 N -2.16 5.96 0.21 4.37 2.15 -0.99 -4.96 116.67 121.25 1brm s ASP 59 Ca 0.35 -0.99 -0.10 0.00 0.43 0.00 0.00 52.55 52.24 1brm s ASP 59 Cb 0.28 -2.11 0.17 0.00 -0.30 0.00 0.00 42.92 40.96 1brm s ASP 59 CO 0.07 -0.44 1.87 -0.07 -0.17 0.00 0.00 175.17 176.43 1brm h LEU 60 N 8.56 0.84 -0.37 -1.34 3.38 -1.91 -2.48 115.31 122.00 1brm h LEU 60 Ca -0.26 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1brm h LEU 60 Cb 1.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1brm h LEU 60 CO 0.72 0.60 0.17 -0.33 0.09 0.00 0.00 178.44 179.68 1brm h GLU 61 N 0.99 0.34 -0.21 1.13 4.39 -1.97 0.33 114.58 119.57 1brm h GLU 61 Ca 0.28 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1brm h GLU 61 Cb -0.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1brm h GLU 61 CO -0.07 0.22 0.02 0.00 -1.16 0.00 0.00 179.01 178.02 1brm h ALA 62 N 1.21 1.64 -0.03 3.43 0.00 -1.85 -2.40 119.26 121.26 1brm h ALA 62 Ca 0.16 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 1brm h ALA 62 Cb 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1brm h ALA 62 CO -0.13 0.27 -0.99 -0.07 0.00 0.00 0.00 179.25 178.34 1brm h LEU 63 N 0.30 0.92 -2.20 0.00 3.38 -0.80 -3.13 115.31 113.79 1brm h LEU 63 Ca 0.07 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1brm h LEU 63 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1brm h LEU 63 CO 0.00 1.51 -0.03 0.11 0.09 0.00 0.00 178.44 180.12 1brm h LYS 64 N 0.42 0.00 0.00 1.13 1.57 0.01 -1.41 116.57 118.29 1brm h LYS 64 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1brm h LYS 64 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.95 1brm h LYS 64 CO 0.20 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 1brm n ALA 65 N -2.39 1.78 -2.25 3.86 0.00 -0.94 -4.81 120.51 115.76 1brm n ALA 65 Ca -0.03 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1brm n ALA 65 Cb 0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1brm n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1brm s LEU 66 N -4.17 3.76 -0.16 0.00 1.43 -0.53 -4.95 118.68 114.06 1brm s LEU 66 Ca 0.06 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1brm s LEU 66 Cb 0.10 -3.92 -0.23 0.00 0.03 0.00 0.00 46.19 42.18 1brm s LEU 66 CO 0.41 -0.46 0.19 0.47 0.23 0.00 0.00 176.35 177.18 1brm n ASP 67 N -1.70 1.56 -4.01 2.29 8.00 -0.22 -4.78 116.55 117.70 1brm n ASP 67 Ca 0.01 0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1brm n ASP 67 Cb 0.54 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 1brm n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1brm s ILE 68 N -2.54 0.40 -0.08 0.53 1.01 -1.02 -0.98 121.20 118.52 1brm s ILE 68 Ca -0.22 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1brm s ILE 68 Cb 0.07 -0.44 0.02 0.00 0.01 0.00 0.00 42.46 42.13 1brm s ILE 68 CO 0.73 -0.22 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 1brm s ILE 69 N -0.91 1.06 -0.34 2.92 1.01 -0.21 -0.49 121.20 124.23 1brm s ILE 69 Ca -0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1brm s ILE 69 Cb -0.07 -1.01 0.08 0.00 0.01 0.00 0.00 42.46 41.47 1brm s ILE 69 CO 0.00 0.35 0.07 -0.69 0.00 0.00 0.00 174.94 174.67 1brm s VAL 70 N 1.06 2.87 -0.08 2.92 1.01 0.52 -0.24 120.40 128.45 1brm s VAL 70 Ca -0.07 -1.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.03 1brm s VAL 70 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1brm s VAL 70 CO -0.01 -0.40 0.06 0.42 0.00 0.00 0.00 175.10 175.17 1brm s THR 71 N 1.13 4.77 -0.03 3.92 -4.23 -0.42 -1.61 115.64 119.17 1brm s THR 71 Ca 0.02 -0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1brm s THR 71 Cb -0.21 -3.06 0.16 0.00 1.34 0.00 0.00 72.50 70.73 1brm s THR 71 CO -0.04 0.56 1.07 0.00 -0.54 0.00 0.00 174.62 175.68 1brm h GLN 73 N 0.28 0.03 0.00 0.00 5.75 -1.80 -3.44 115.11 115.93 1brm h GLN 73 Ca -0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1brm h GLN 73 Cb 1.42 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.99 1brm h GLN 73 CO 0.02 0.96 0.00 0.41 -2.65 0.00 0.00 178.83 177.57 1brm n GLY 74 N 1.40 2.36 0.23 2.39 0.00 -1.26 -4.75 105.19 105.57 1brm n GLY 74 Ca -0.03 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.96 1brm n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1brm h GLY 75 N 0.00 0.00 0.98 -0.02 0.00 -1.97 -2.14 103.07 99.91 1brm h GLY 75 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1brm h GLY 75 CO 0.00 0.00 0.25 -0.55 0.00 0.00 0.00 176.54 176.24 1brm h ASP 76 N 0.00 0.65 0.53 0.19 5.19 -1.98 0.37 116.42 121.37 1brm h ASP 76 Ca -0.00 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 1brm h ASP 76 Cb 0.43 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.77 1brm h ASP 76 CO 0.03 0.58 -0.26 0.22 -3.12 0.00 0.00 179.24 176.69 1brm h TYR 77 N 0.67 -0.66 -0.67 4.55 3.20 -1.80 -3.08 116.97 119.17 1brm h TYR 77 Ca 0.17 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.17 1brm h TYR 77 Cb 0.09 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.46 1brm h TYR 77 CO -0.01 -0.38 -0.07 1.15 -1.64 0.00 0.00 178.16 177.21 1brm h THR 78 N -1.15 0.38 0.00 1.81 2.02 -1.33 0.21 112.91 114.86 1brm h THR 78 Ca -0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1brm h THR 78 Cb 0.58 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1brm h THR 78 CO 0.12 0.01 0.00 0.78 0.37 0.00 0.00 175.52 176.80 1brm h ASN 79 N 0.06 0.00 0.00 4.18 2.35 -0.33 -2.01 115.58 119.83 1brm h ASN 79 Ca 0.34 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.73 1brm h ASN 79 Cb 0.56 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 1brm h ASN 79 CO -0.63 0.00 -2.21 1.21 -1.65 0.00 0.00 177.43 174.15 1brm n GLU 80 N -2.30 0.58 0.02 0.81 2.13 0.57 -4.71 120.64 117.73 1brm n GLU 80 Ca 0.00 0.25 -0.11 0.00 0.66 0.00 0.00 57.16 57.96 1brm n GLU 80 Cb 0.13 -1.48 -0.09 0.00 0.27 0.00 0.00 31.44 30.27 1brm n GLU 80 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1brm h ILE 81 N -1.00 1.06 -0.97 6.31 1.08 -1.05 -3.34 117.51 119.59 1brm h ILE 81 Ca -0.55 -1.31 0.10 0.00 -0.39 0.00 0.00 64.86 62.70 1brm h ILE 81 Cb 1.48 1.80 -0.12 0.00 -3.07 0.00 0.00 36.82 36.91 1brm h ILE 81 CO -0.34 0.28 -0.55 0.00 -0.69 0.00 0.00 178.15 176.86 1brm n TYR 82 N -4.86 -0.37 -0.02 1.37 9.36 -0.76 -0.94 117.16 120.95 1brm n TYR 82 Ca -0.08 1.22 -0.01 0.00 3.32 0.00 0.00 57.90 62.35 1brm n TYR 82 Cb 0.28 -0.62 0.28 0.00 -0.63 0.00 0.00 39.34 38.66 1brm n TYR 82 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1brm h PRO 83 N 0.00 0.56 -0.55 2.98 0.13 -1.76 -0.79 132.00 132.57 1brm h PRO 83 Ca 0.18 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1brm h PRO 83 Cb 0.42 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1brm h PRO 83 CO -0.92 0.59 0.31 0.87 -0.23 0.00 0.00 178.00 178.61 1brm h LYS 84 N 0.54 0.74 0.03 0.86 1.57 -1.15 0.16 116.57 119.32 1brm h LYS 84 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1brm h LYS 84 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1brm h LYS 84 CO 0.01 0.54 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.34 1brm h LEU 85 N 0.75 -0.04 -0.56 2.94 3.38 -0.68 -2.95 115.31 118.16 1brm h LEU 85 Ca 0.20 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.51 1brm h LEU 85 Cb 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1brm h LEU 85 CO -0.03 0.73 0.37 0.03 0.09 0.00 0.00 178.44 179.63 1brm h ARG 86 N -0.90 0.73 0.00 1.13 2.47 -1.06 -0.99 114.38 115.77 1brm h ARG 86 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1brm h ARG 86 Cb 0.70 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1brm h ARG 86 CO 0.01 0.49 0.00 0.93 0.56 0.00 0.00 179.97 181.95 1brm h GLU 87 N 0.76 0.00 -0.06 0.04 5.08 -0.82 -0.61 114.58 118.96 1brm h GLU 87 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1brm h GLU 87 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1brm h GLU 87 CO -0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.84 1brm n SER 88 N -2.64 1.80 0.00 1.42 3.41 -0.46 -4.94 113.62 112.21 1brm n SER 88 Ca 0.01 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1brm n SER 88 Cb 0.22 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1brm n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brm n GLY 89 N 1.20 0.59 3.68 5.00 0.00 -0.24 -5.04 105.19 110.38 1brm n GLY 89 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 1brm n GLY 89 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1brm n TRP 90 N -2.00 2.27 -1.35 1.61 -0.00 -0.68 -4.88 117.44 112.41 1brm n TRP 90 Ca 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 57.50 57.61 1brm n TRP 90 Cb 0.00 -2.61 0.21 0.00 -0.00 0.00 0.00 31.31 28.91 1brm n TRP 90 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1brm n GLN 91 N 5.67 2.02 -1.85 5.87 6.02 -1.26 -4.47 117.38 129.38 1brm n GLN 91 Ca 0.21 -3.10 -0.29 0.00 -0.01 0.00 0.00 57.00 53.81 1brm n GLN 91 Cb 0.28 -1.81 0.14 0.00 1.02 0.00 0.00 30.24 29.87 1brm n GLN 91 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1brm s GLY 92 N -2.43 1.68 0.12 1.08 0.00 -1.26 -4.98 107.32 101.52 1brm s GLY 92 Ca 0.44 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 44.00 1brm s GLY 92 CO 0.02 -0.27 0.76 -0.19 0.00 0.00 0.00 173.10 173.42 1brm s TYR 93 N -3.68 3.85 -0.25 1.90 2.02 -0.15 -4.81 117.35 116.23 1brm s TYR 93 Ca 0.68 1.56 0.02 0.00 -0.37 0.00 0.00 57.07 58.96 1brm s TYR 93 Cb -0.08 -2.77 0.06 0.00 -0.40 0.00 0.00 41.96 38.77 1brm s TYR 93 CO 0.51 0.44 -0.09 -0.46 -1.57 0.00 0.00 175.55 174.38 1brm s TRP 94 N -0.77 2.96 -0.35 2.71 -0.11 0.11 -1.05 118.94 122.44 1brm s TRP 94 Ca 0.36 -2.11 -0.09 0.00 1.22 0.00 0.00 56.10 55.49 1brm s TRP 94 Cb -0.22 -1.81 0.03 0.00 -1.50 0.00 0.00 33.47 29.97 1brm s TRP 94 CO 0.25 -0.84 0.15 0.42 -4.62 0.00 0.00 176.95 172.31 1brm s ILE 95 N 1.21 4.21 0.12 5.86 1.01 0.66 -0.71 121.20 133.57 1brm s ILE 95 Ca -0.07 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.77 1brm s ILE 95 Cb -0.19 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1brm s ILE 95 CO -0.06 -0.15 -0.22 -0.62 0.00 0.00 0.00 174.94 173.89 1brm s ASP 96 N 1.50 3.63 -0.10 3.58 -1.08 -0.43 -1.30 116.67 122.47 1brm s ASP 96 Ca 0.01 -0.65 0.19 0.00 -0.52 0.00 0.00 52.55 51.58 1brm s ASP 96 Cb -0.19 -0.40 -0.28 0.00 -1.46 0.00 0.00 42.92 40.59 1brm s ASP 96 CO 0.05 0.18 0.28 0.00 0.52 0.00 0.00 175.17 176.19 1brm n ALA 97 N 0.83 2.21 -1.77 3.66 0.00 -1.11 -0.73 120.51 123.60 1brm n ALA 97 Ca -0.17 -0.84 -0.36 0.00 0.00 0.00 0.00 53.44 52.08 1brm n ALA 97 Cb 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1brm n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1brm s ALA 98 N -3.00 2.81 -0.02 0.00 0.00 -1.26 -4.58 121.76 115.71 1brm s ALA 98 Ca -0.08 0.93 0.21 0.00 0.00 0.00 0.00 51.96 53.01 1brm s ALA 98 Cb 0.10 -3.39 0.60 0.00 0.00 0.00 0.00 23.12 20.43 1brm s ALA 98 CO 0.83 -0.80 1.69 0.66 0.00 0.00 0.00 175.76 178.13 1brm h SER 99 N 1.55 0.00 -0.53 0.00 4.64 -1.93 -3.39 113.55 113.89 1brm h SER 99 Ca -0.50 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1brm h SER 99 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 1brm h SER 99 CO 0.58 0.29 -0.17 -1.20 -0.87 0.00 0.00 176.83 175.45 1brm n SER 100 N -3.31 -0.27 -0.19 4.97 7.64 -1.26 -0.67 113.62 120.53 1brm n SER 100 Ca 0.01 0.92 0.12 0.00 1.01 0.00 0.00 58.87 60.93 1brm n SER 100 Cb 0.53 -0.24 0.19 0.00 -1.01 0.00 0.00 64.21 63.68 1brm n SER 100 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1brm n LEU 101 N -4.82 1.08 -0.32 -3.43 4.77 -1.26 -4.50 117.00 108.52 1brm n LEU 101 Ca 0.07 -0.33 0.19 0.00 -0.03 0.00 0.00 56.01 55.91 1brm n LEU 101 Cb 0.24 -0.11 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 1brm n LEU 101 CO -0.07 0.22 0.96 0.03 -1.33 0.00 0.00 177.39 177.20 1brm h ARG 102 N 0.94 0.13 -0.19 3.23 3.08 -1.14 0.50 114.38 120.92 1brm h ARG 102 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1brm h ARG 102 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1brm h ARG 102 CO 0.00 0.08 0.00 -1.33 -1.07 0.00 0.00 179.97 177.65 1brm n MET 103 N -5.27 1.81 -2.18 0.04 2.81 -1.26 -4.62 117.12 108.44 1brm n MET 103 Ca 0.27 -1.21 -0.40 0.00 -1.81 0.00 0.00 57.70 54.55 1brm n MET 103 Cb 0.89 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.98 1brm n MET 103 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1brm s LYS 104 N -1.76 4.20 0.49 0.03 -0.14 0.16 -4.91 119.74 117.82 1brm s LYS 104 Ca 0.33 2.07 0.26 0.00 -1.36 0.00 0.00 55.97 57.26 1brm s LYS 104 Cb 0.18 -2.90 1.26 0.00 -1.68 0.00 0.00 37.83 34.69 1brm s LYS 104 CO 0.26 -0.26 1.98 -0.44 -0.76 0.00 0.00 175.35 176.13 1brm h ASP 105 N 3.05 0.00 -0.59 2.83 3.32 -1.91 -2.43 116.42 120.69 1brm h ASP 105 Ca -0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1brm h ASP 105 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1brm h ASP 105 CO 0.64 0.16 0.04 -0.90 -1.72 0.00 0.00 179.24 177.46 1brm n ASP 106 N -3.53 5.54 -4.25 6.45 5.75 -1.26 -4.92 116.55 120.33 1brm n ASP 106 Ca -0.01 -2.99 -0.22 0.00 -0.01 0.00 0.00 54.79 51.56 1brm n ASP 106 Cb 0.31 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.59 1brm n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1brm s ALA 107 N -2.82 1.59 -0.07 2.12 0.00 -0.92 -4.22 121.76 117.45 1brm s ALA 107 Ca 0.54 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1brm s ALA 107 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1brm s ALA 107 CO 0.15 0.29 -0.22 0.42 0.00 0.00 0.00 175.76 176.39 1brm s ILE 108 N -1.25 1.87 -0.31 0.00 1.01 -0.39 -4.75 121.20 117.38 1brm s ILE 108 Ca 0.04 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 1brm s ILE 108 Cb -0.10 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1brm s ILE 108 CO 0.04 0.52 0.91 -0.63 0.00 0.00 0.00 174.94 175.78 1brm s ILE 109 N 0.05 4.67 -0.00 2.92 1.01 -1.26 -0.72 121.20 127.88 1brm s ILE 109 Ca -0.08 1.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 1brm s ILE 109 Cb -0.14 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1brm s ILE 109 CO 0.05 -0.34 0.62 0.27 0.00 0.00 0.00 174.94 175.53 1brm s ILE 110 N 3.25 4.90 -0.40 2.92 -4.36 0.11 -4.74 121.20 122.87 1brm s ILE 110 Ca 0.38 1.30 0.02 0.00 -0.26 0.00 0.00 60.65 62.08 1brm s ILE 110 Cb -0.13 -3.96 0.26 0.00 1.25 0.00 0.00 42.46 39.88 1brm s ILE 110 CO 0.13 0.40 1.09 -0.11 0.24 0.00 0.00 174.94 176.69 1brm n LEU 111 N 2.80 -2.04 -0.30 0.37 7.94 -1.26 -4.41 117.00 120.10 1brm n LEU 111 Ca -0.06 -2.53 0.15 0.00 -1.11 0.00 0.00 56.01 52.46 1brm n LEU 111 Cb 0.51 0.71 0.32 0.00 0.53 0.00 0.00 43.42 45.49 1brm n LEU 111 CO 0.44 1.78 1.00 -2.24 -1.11 0.00 0.00 177.39 177.26 1brm h ASP 112 N 3.48 0.17 0.06 1.96 2.03 -1.91 0.47 116.42 122.67 1brm h ASP 112 Ca -0.20 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1brm h ASP 112 Cb 1.13 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1brm h ASP 112 CO 0.06 -0.11 0.00 -2.65 -1.03 0.00 0.00 179.24 175.51 1brm n PRO 113 N -5.15 0.14 -0.05 4.15 -0.02 -1.26 -1.57 135.00 131.24 1brm n PRO 113 Ca 0.23 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1brm n PRO 113 Cb 0.72 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1brm n PRO 113 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brm n VAL 114 N -2.24 0.60 -2.06 -1.45 0.31 0.74 -4.84 118.33 109.38 1brm n VAL 114 Ca -0.01 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 63.94 1brm n VAL 114 Cb 0.05 -1.34 0.03 0.00 -0.91 0.00 0.00 33.84 31.67 1brm n VAL 114 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1brm n ASN 115 N -3.22 4.45 -0.30 4.52 6.94 0.13 -4.84 115.26 122.94 1brm n ASN 115 Ca -0.20 -3.61 0.03 0.00 -0.02 0.00 0.00 54.58 50.77 1brm n ASN 115 Cb 0.67 -0.36 0.17 0.00 -2.36 0.00 0.00 39.78 37.89 1brm n ASN 115 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1brm h GLN 116 N 2.14 0.82 -0.62 -3.83 5.75 -1.47 -1.21 115.11 116.70 1brm h GLN 116 Ca 0.30 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1brm h GLN 116 Cb 1.49 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.82 1brm h GLN 116 CO 0.67 0.54 0.41 0.38 -2.65 0.00 0.00 178.83 178.18 1brm h ASP 117 N 0.85 0.71 0.68 -0.69 2.03 -1.88 0.18 116.42 118.29 1brm h ASP 117 Ca 0.40 -0.02 -0.11 0.00 -0.73 0.00 0.00 57.03 56.57 1brm h ASP 117 Cb 0.33 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 1brm h ASP 117 CO -0.23 0.52 -0.52 0.58 -1.03 0.00 0.00 179.24 178.56 1brm h VAL 118 N 0.84 1.24 0.05 4.15 2.07 -1.63 -0.99 116.25 121.99 1brm h VAL 118 Ca 0.23 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1brm h VAL 118 Cb -0.09 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1brm h VAL 118 CO -0.05 0.51 -0.03 0.40 0.02 0.00 0.00 177.57 178.43 1brm h ILE 119 N 0.00 1.24 -0.60 4.57 2.04 -0.48 -2.32 117.51 121.96 1brm h ILE 119 Ca -0.01 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.34 1brm h ILE 119 Cb 1.00 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 39.22 1brm h ILE 119 CO 0.07 0.36 0.32 0.71 0.00 0.00 0.00 178.15 179.61 1brm h THR 120 N -0.84 0.95 0.46 -0.27 1.35 -0.70 0.36 112.91 114.22 1brm h THR 120 Ca -0.01 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1brm h THR 120 Cb 0.65 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1brm h THR 120 CO 0.01 0.11 -0.39 0.44 -0.25 0.00 0.00 175.52 175.44 1brm h ASP 121 N 0.60 -1.05 -0.66 5.36 5.19 -1.25 -1.21 116.42 123.40 1brm h ASP 121 Ca 0.27 0.08 0.14 0.00 -0.62 0.00 0.00 57.03 56.90 1brm h ASP 121 Cb 0.17 0.33 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 1brm h ASP 121 CO -0.18 -0.54 0.45 1.23 -3.12 0.00 0.00 179.24 177.08 1brm h GLY 122 N -0.83 0.46 1.00 2.75 0.00 -1.12 0.14 103.07 105.46 1brm h GLY 122 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1brm h GLY 122 CO -0.01 0.05 0.34 -2.00 0.00 0.00 0.00 176.54 174.92 1brm h LEU 123 N 0.28 0.63 -0.66 3.11 5.85 0.27 0.11 115.31 124.90 1brm h LEU 123 Ca 0.32 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1brm h LEU 123 Cb 0.85 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1brm h LEU 123 CO -0.08 0.48 -0.25 0.78 -0.34 0.00 0.00 178.44 179.04 1brm h ASN 124 N 0.72 0.00 -0.33 1.25 2.35 0.38 -3.05 115.58 116.90 1brm h ASN 124 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1brm h ASN 124 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1brm h ASN 124 CO -0.04 0.25 0.00 0.59 -1.65 0.00 0.00 177.43 176.58 1brm n ASN 125 N -3.27 2.53 -0.49 5.81 3.02 0.05 -4.91 115.26 118.00 1brm n ASN 125 Ca 0.01 -2.19 -0.02 0.00 -0.03 0.00 0.00 54.58 52.35 1brm n ASN 125 Cb 0.52 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1brm n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1brm n GLY 126 N 0.77 0.55 3.63 7.41 0.00 -1.02 -5.01 105.19 111.52 1brm n GLY 126 Ca 0.13 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1brm n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1brm s ILE 127 N -2.55 5.15 -0.49 -0.61 -1.09 0.32 -4.93 121.20 117.00 1brm s ILE 127 Ca 0.03 0.73 0.09 0.00 -2.23 0.00 0.00 60.65 59.26 1brm s ILE 127 Cb -0.01 -3.75 0.25 0.00 -1.58 0.00 0.00 42.46 37.36 1brm s ILE 127 CO 0.03 0.17 1.20 0.54 -1.23 0.00 0.00 174.94 175.65 1brm n ARG 128 N 5.06 2.79 -3.98 2.79 5.12 -1.26 -4.59 116.66 122.60 1brm n ARG 128 Ca -0.07 -2.05 -0.30 0.00 -1.93 0.00 0.00 57.85 53.51 1brm n ARG 128 Cb 0.51 -1.29 -0.16 0.00 -1.16 0.00 0.00 32.46 30.35 1brm n ARG 128 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1brm s THR 129 N -1.41 1.49 -0.12 0.55 2.01 -1.26 0.06 115.64 116.96 1brm s THR 129 Ca 0.20 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1brm s THR 129 Cb 0.13 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1brm s THR 129 CO 0.09 0.25 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.79 1brm s PHE 130 N 1.48 1.85 0.03 4.92 0.08 0.12 -1.26 117.98 125.20 1brm s PHE 130 Ca 0.01 -0.94 0.09 0.00 0.12 0.00 0.00 56.93 56.21 1brm s PHE 130 Cb -0.15 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1brm s PHE 130 CO -0.09 -0.54 -0.26 0.08 -0.10 0.00 0.00 175.22 174.31 1brm s VAL 131 N 1.36 2.16 0.53 -0.44 1.01 0.10 -1.31 120.40 123.82 1brm s VAL 131 Ca 0.01 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1brm s VAL 131 Cb -0.13 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 1brm s VAL 131 CO -0.07 0.41 1.01 -0.83 0.00 0.00 0.00 175.10 175.62 1brm s GLY 132 N -1.13 2.14 0.05 4.51 0.00 0.09 0.05 107.32 113.03 1brm s GLY 132 Ca 0.12 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1brm s GLY 132 CO 0.02 0.59 0.08 0.61 0.00 0.00 0.00 173.10 174.39 1brm n GLY 133 N -1.22 1.82 3.56 0.20 0.00 -1.26 -4.75 105.19 103.54 1brm n GLY 133 Ca 0.08 -2.12 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 1brm n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1brm n ASN 134 N -2.94 0.85 0.25 1.61 2.85 -1.26 -4.81 115.26 111.80 1brm n ASN 134 Ca 0.02 1.16 0.11 0.00 -0.11 0.00 0.00 54.58 55.76 1brm n ASN 134 Cb 0.06 -1.23 0.66 0.00 1.24 0.00 0.00 39.78 40.51 1brm n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brm h THR 136 N 0.00 0.95 -0.18 0.00 1.35 -1.89 -3.20 112.91 109.94 1brm h THR 136 Ca -0.00 -2.35 0.02 0.00 -0.55 0.00 0.00 66.41 63.53 1brm h THR 136 Cb 0.36 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 1brm h THR 136 CO 0.02 0.67 0.07 0.58 -0.25 0.00 0.00 175.52 176.60 1brm h VAL 137 N -0.38 0.96 -0.13 6.82 2.07 -1.81 -0.74 116.25 123.04 1brm h VAL 137 Ca -0.33 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1brm h VAL 137 Cb 1.71 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1brm h VAL 137 CO 0.01 0.03 -0.43 0.28 0.02 0.00 0.00 177.57 177.49 1brm h SER 138 N 0.16 -1.36 -0.99 0.57 0.02 -1.40 0.30 113.55 110.84 1brm h SER 138 Ca 0.08 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.26 1brm h SER 138 Cb 0.04 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 1brm h SER 138 CO -0.08 -0.37 0.64 -0.07 -1.14 0.00 0.00 176.83 175.82 1brm h LEU 139 N -0.43 1.01 -0.36 5.07 3.38 -1.52 -0.10 115.31 122.36 1brm h LEU 139 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1brm h LEU 139 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1brm h LEU 139 CO -0.36 0.64 0.20 -0.03 0.09 0.00 0.00 178.44 178.98 1brm h MET 140 N 1.14 0.50 -0.49 1.13 4.05 -0.31 -2.16 114.93 118.80 1brm h MET 140 Ca 0.43 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.68 1brm h MET 140 Cb 0.21 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1brm h MET 140 CO -0.18 0.41 -0.16 -0.07 0.23 0.00 0.00 176.91 177.14 1brm h LEU 141 N 0.46 0.97 -1.48 3.39 3.38 -0.38 0.29 115.31 121.93 1brm h LEU 141 Ca 0.13 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1brm h LEU 141 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1brm h LEU 141 CO -0.02 1.11 0.37 0.24 0.09 0.00 0.00 178.44 180.24 1brm h MET 142 N 0.84 0.67 0.00 1.13 2.86 -0.83 0.28 114.93 119.87 1brm h MET 142 Ca 0.12 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1brm h MET 142 Cb 0.72 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1brm h MET 142 CO 0.06 0.44 -0.38 0.77 1.06 0.00 0.00 176.91 178.86 1brm h SER 143 N 0.69 0.00 -0.27 1.22 0.02 -1.05 -3.38 113.55 110.77 1brm h SER 143 Ca 0.22 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1brm h SER 143 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1brm h SER 143 CO -0.06 0.92 0.00 0.18 -1.14 0.00 0.00 176.83 176.73 1brm n LEU 144 N -4.62 2.57 -0.12 5.07 4.77 0.99 -4.55 117.00 121.11 1brm n LEU 144 Ca -0.11 -1.30 -0.08 0.00 -0.03 0.00 0.00 56.01 54.48 1brm n LEU 144 Cb 0.35 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1brm n LEU 144 CO 0.16 0.42 0.62 1.23 -1.33 0.00 0.00 177.39 178.49 1brm h GLY 145 N 4.84 -0.34 -0.36 -0.72 0.00 -0.62 -1.42 103.07 104.46 1brm h GLY 145 Ca 0.00 0.46 0.32 0.00 0.00 0.00 0.00 47.33 48.11 1brm h GLY 145 CO 0.14 -0.20 0.76 -1.33 0.00 0.00 0.00 176.54 175.91 1brm h GLY 146 N -0.27 0.79 0.99 4.60 0.00 -1.80 0.34 103.07 107.72 1brm h GLY 146 Ca 0.16 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1brm h GLY 146 CO -0.56 -0.12 -0.60 1.41 0.00 0.00 0.00 176.54 176.67 1brm h LEU 147 N 0.22 0.74 -0.14 3.11 3.38 -1.55 -3.02 115.31 118.06 1brm h LEU 147 Ca 0.62 -0.64 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1brm h LEU 147 Cb 1.93 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.47 1brm h LEU 147 CO -0.21 1.26 -0.69 -0.26 0.09 0.00 0.00 178.44 178.63 1brm h PHE 148 N 0.28 0.96 0.00 1.13 0.04 -1.02 -1.84 116.94 116.49 1brm h PHE 148 Ca -0.04 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1brm h PHE 148 Cb 1.24 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1brm h PHE 148 CO 0.10 1.24 0.00 0.00 -0.60 0.00 0.00 178.31 179.05 1brm n ALA 149 N -2.59 1.31 -0.78 2.45 0.00 0.11 -1.15 120.51 119.86 1brm n ALA 149 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1brm n ALA 149 Cb 0.70 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 19.18 1brm n ALA 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1brm n ASN 150 N -1.38 2.29 -3.92 0.00 5.03 -1.14 -4.99 115.26 111.15 1brm n ASN 150 Ca 0.02 -2.80 -0.25 0.00 0.87 0.00 0.00 54.58 52.42 1brm n ASN 150 Cb 0.04 -0.32 -0.01 0.00 -1.02 0.00 0.00 39.78 38.47 1brm n ASN 150 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1brm n ASP 151 N -1.17 -0.54 -0.37 6.41 2.03 -0.30 -4.88 116.55 117.74 1brm n ASP 151 Ca 0.12 -0.98 0.06 0.00 0.52 0.00 0.00 54.79 54.51 1brm n ASP 151 Cb 0.54 -3.21 0.03 0.00 -0.72 0.00 0.00 41.12 37.76 1brm n ASP 151 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1brm n LEU 152 N -4.38 1.65 -4.76 -2.67 4.77 -0.70 -4.84 117.00 106.06 1brm n LEU 152 Ca -0.30 -0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 54.44 1brm n LEU 152 Cb 0.68 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1brm n LEU 152 CO 0.74 0.32 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.26 1brm s VAL 153 N -1.19 5.42 -0.24 4.08 1.01 -1.25 -0.70 120.40 127.52 1brm s VAL 153 Ca 0.12 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1brm s VAL 153 Cb 0.09 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.85 1brm s VAL 153 CO 0.21 0.47 -0.11 -0.67 0.00 0.00 0.00 175.10 175.00 1brm n ASP 154 N 3.20 1.95 -3.58 3.32 2.03 -0.13 -4.79 116.55 118.55 1brm n ASP 154 Ca -0.17 0.29 -0.08 0.00 0.52 0.00 0.00 54.79 55.36 1brm n ASP 154 Cb 0.53 -0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 1brm n ASP 154 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1brm s TRP 155 N -2.47 -0.32 -0.06 -0.67 1.48 -1.25 -3.97 118.94 111.69 1brm s TRP 155 Ca -0.34 0.10 0.03 0.00 -1.06 0.00 0.00 56.10 54.83 1brm s TRP 155 Cb 0.11 0.58 0.00 0.00 -1.16 0.00 0.00 33.47 33.00 1brm s TRP 155 CO 0.56 -0.74 -0.15 0.08 -4.06 0.00 0.00 176.95 172.64 1brm s VAL 156 N -3.36 1.33 -0.15 -0.66 1.01 0.95 -2.21 120.40 117.31 1brm s VAL 156 Ca 0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1brm s VAL 156 Cb -0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1brm s VAL 156 CO -0.06 0.39 -0.05 -0.55 0.00 0.00 0.00 175.10 174.84 1brm s SER 157 N 0.31 4.72 0.05 3.32 0.15 -1.01 -1.75 113.70 119.49 1brm s SER 157 Ca -0.09 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1brm s SER 157 Cb -0.13 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1brm s SER 157 CO 0.03 0.17 -0.09 -0.69 1.20 0.00 0.00 173.24 173.86 1brm s VAL 158 N 0.37 0.66 -0.06 4.45 1.01 -0.09 -1.80 120.40 124.93 1brm s VAL 158 Ca -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1brm s VAL 158 Cb -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1brm s VAL 158 CO 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 175.10 174.81 1brm s ALA 159 N -1.30 0.64 0.13 5.51 0.00 -0.87 -0.30 121.76 125.58 1brm s ALA 159 Ca -0.08 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1brm s ALA 159 Cb -0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1brm s ALA 159 CO 0.01 -0.38 -0.01 0.95 0.00 0.00 0.00 175.76 176.33 1brm s THR 160 N 1.79 3.82 -0.65 0.00 -4.23 -0.65 -1.06 115.64 114.65 1brm s THR 160 Ca 0.02 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1brm s THR 160 Cb -0.13 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 71.01 1brm s THR 160 CO -0.04 0.00 0.45 -0.31 -0.54 0.00 0.00 174.62 174.18 1brm s TYR 161 N -1.51 3.27 0.23 3.99 1.51 0.74 -2.07 117.35 123.50 1brm s TYR 161 Ca 0.26 -3.21 -0.25 0.00 -1.01 0.00 0.00 57.07 52.86 1brm s TYR 161 Cb -0.10 -2.55 -0.09 0.00 -0.11 0.00 0.00 41.96 39.11 1brm s TYR 161 CO 0.18 -0.60 0.83 -0.65 -1.11 0.00 0.00 175.55 174.20 1brm s GLN 162 N -1.15 4.54 0.85 -0.62 -0.21 0.97 -1.75 119.66 122.30 1brm s GLN 162 Ca 0.24 1.18 -0.13 0.00 0.02 0.00 0.00 55.36 56.68 1brm s GLN 162 Cb -0.07 -3.07 0.11 0.00 1.00 0.00 0.00 33.01 30.98 1brm s GLN 162 CO -0.15 0.46 1.20 0.00 -2.12 0.00 0.00 175.29 174.69 1brm s ALA 163 N -1.34 2.49 0.04 6.09 0.00 -1.21 -0.66 121.76 127.17 1brm s ALA 163 Ca 0.41 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.74 1brm s ALA 163 Cb -0.21 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1brm s ALA 163 CO 0.25 -1.88 1.41 0.00 0.00 0.00 0.00 175.76 175.54 1brm h ALA 164 N -1.22 0.58 -0.04 0.00 0.00 -1.10 -3.10 119.26 114.37 1brm h ALA 164 Ca -0.46 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 53.79 1brm h ALA 164 Cb 1.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1brm h ALA 164 CO 0.60 0.92 0.13 0.66 0.00 0.00 0.00 179.25 181.56 1brm h SER 165 N 0.00 0.00 0.61 0.00 4.64 -1.24 0.56 113.55 118.12 1brm h SER 165 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1brm h SER 165 Cb 1.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 1brm h SER 165 CO 0.10 0.00 -0.17 1.23 -0.87 0.00 0.00 176.83 177.12 1brm h GLY 166 N 0.00 0.00 0.19 -0.77 0.00 -1.81 -3.12 103.07 97.55 1brm h GLY 166 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.05 1brm h GLY 166 CO -0.00 0.00 -1.64 0.61 0.00 0.00 0.00 176.54 175.51 1brm n GLY 167 N -0.32 -0.70 0.00 4.60 0.00 0.19 -5.10 105.19 103.86 1brm n GLY 167 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1brm n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brm n GLY 168 N 1.62 2.02 0.36 -0.02 0.00 -0.76 -4.87 105.19 103.55 1brm n GLY 168 Ca -0.35 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.32 1brm n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brm h ALA 169 N 0.00 1.56 -0.58 4.61 0.00 -1.86 -1.48 119.26 121.51 1brm h ALA 169 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1brm h ALA 169 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1brm h ALA 169 CO 0.00 0.30 0.38 0.00 0.00 0.00 0.00 179.25 179.93 1brm h ARG 170 N 0.97 0.76 -0.77 0.00 3.08 -1.94 -1.87 114.38 114.61 1brm h ARG 170 Ca 0.39 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 1brm h ARG 170 Cb 0.26 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1brm h ARG 170 CO -0.15 0.50 0.37 0.45 -1.07 0.00 0.00 179.97 180.06 1brm h HIS 171 N 0.78 1.12 -0.55 3.04 3.86 -1.59 -1.38 115.15 120.43 1brm h HIS 171 Ca 0.21 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1brm h HIS 171 Cb -0.09 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.01 1brm h HIS 171 CO -0.04 0.82 0.20 0.52 0.86 0.00 0.00 177.93 180.29 1brm h MET 172 N 1.09 0.80 -0.18 2.45 2.86 -0.93 -1.85 114.93 119.18 1brm h MET 172 Ca 0.26 -0.13 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1brm h MET 172 Cb 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1brm h MET 172 CO -0.03 0.68 -0.49 0.00 1.06 0.00 0.00 176.91 178.13 1brm h ARG 173 N 0.79 0.64 -0.03 1.72 3.08 -0.94 -2.76 114.38 116.89 1brm h ARG 173 Ca 0.19 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.81 1brm h ARG 173 Cb 0.19 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1brm h ARG 173 CO -0.01 1.08 -0.20 1.49 -1.07 0.00 0.00 179.97 181.25 1brm h GLU 174 N 0.32 -0.30 -0.24 0.04 4.81 -0.99 0.36 114.58 118.59 1brm h GLU 174 Ca -0.01 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1brm h GLU 174 Cb 1.10 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 1brm h GLU 174 CO 0.11 -0.20 -0.27 1.25 -0.73 0.00 0.00 179.01 179.17 1brm h LEU 175 N -0.31 -0.86 -1.76 1.64 5.85 -1.37 0.29 115.31 118.79 1brm h LEU 175 Ca 0.07 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1brm h LEU 175 Cb 0.40 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1brm h LEU 175 CO -0.21 -0.30 0.00 -0.07 -0.34 0.00 0.00 178.44 177.52 1brm h LEU 176 N -0.28 0.13 -0.02 2.25 3.38 -1.13 -1.35 115.31 118.29 1brm h LEU 176 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1brm h LEU 176 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1brm h LEU 176 CO -0.40 0.16 -0.07 0.74 0.09 0.00 0.00 178.44 178.97 1brm h THR 177 N 0.15 1.49 -0.45 0.22 2.02 0.18 -3.07 112.91 113.45 1brm h THR 177 Ca 0.04 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.72 1brm h THR 177 Cb 0.10 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1brm h THR 177 CO 0.00 0.41 0.30 1.56 0.37 0.00 0.00 175.52 178.16 1brm h GLN 178 N -0.52 0.47 0.00 6.66 4.20 -0.26 0.12 115.11 125.78 1brm h GLN 178 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1brm h GLN 178 Cb 0.70 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1brm h GLN 178 CO 0.01 0.31 -0.01 0.52 -0.67 0.00 0.00 178.83 179.00 1brm h MET 179 N 0.48 0.00 0.00 1.46 2.86 -1.18 -0.58 114.93 117.98 1brm h MET 179 Ca 0.18 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1brm h MET 179 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1brm h MET 179 CO -0.05 0.01 -1.12 0.41 1.06 0.00 0.00 176.91 177.22 1brm n GLY 180 N -1.40 -1.39 0.23 8.32 0.00 -0.02 -3.56 105.19 107.37 1brm n GLY 180 Ca -0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1brm n GLY 180 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1brm h HIS 181 N 0.00 1.03 0.03 1.61 -0.00 -0.54 -2.52 115.15 114.76 1brm h HIS 181 Ca -0.05 -0.41 -0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1brm h HIS 181 Cb 1.16 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1brm h HIS 181 CO 0.00 1.24 -0.01 -0.07 -0.00 0.00 0.00 177.93 179.08 1brm h LEU 182 N 0.57 -0.03 0.13 2.43 3.38 -1.53 -2.90 115.31 117.36 1brm h LEU 182 Ca -0.02 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1brm h LEU 182 Cb 1.28 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1brm h LEU 182 CO 0.14 0.44 -0.10 0.22 0.09 0.00 0.00 178.44 179.23 1brm h TYR 183 N -0.52 -0.26 -0.30 1.13 3.20 -1.64 -3.04 116.97 115.54 1brm h TYR 183 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1brm h TYR 183 Cb 0.48 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1brm h TYR 183 CO 0.09 -0.16 0.10 0.78 -1.64 0.00 0.00 178.16 177.33 1brm h GLY 184 N -0.24 0.37 1.12 1.82 0.00 -1.57 0.46 103.07 105.03 1brm h GLY 184 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1brm h GLY 184 CO -0.01 0.03 0.11 1.57 0.00 0.00 0.00 176.54 178.24 1brm n HIS 185 N -5.03 0.00 -1.88 5.60 -0.00 -1.10 -0.80 115.22 112.02 1brm n HIS 185 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1brm n HIS 185 Cb 0.10 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 29.87 1brm n HIS 185 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1brm n VAL 186 N -1.16 0.00 0.01 3.57 0.31 -0.52 -4.90 118.33 115.63 1brm n VAL 186 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1brm n VAL 186 Cb 0.11 0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 1brm n VAL 186 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1brm h ALA 187 N 0.00 -0.33 -0.01 3.52 0.00 0.20 -2.05 119.26 120.58 1brm h ALA 187 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1brm h ALA 187 Cb 1.18 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1brm h ALA 187 CO 0.00 -0.77 -0.31 -0.44 0.00 0.00 0.00 179.25 177.73 1brm h ASP 188 N -0.38 -0.97 -0.90 0.00 3.32 -1.86 -1.16 116.42 114.47 1brm h ASP 188 Ca 0.09 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.44 1brm h ASP 188 Cb 0.52 0.37 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 1brm h ASP 188 CO -0.32 -0.30 0.46 1.05 -1.72 0.00 0.00 179.24 178.41 1brm h GLU 189 N -0.38 0.53 -0.05 3.56 9.09 -1.88 0.49 114.58 125.93 1brm h GLU 189 Ca 0.01 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 1brm h GLU 189 Cb 0.41 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1brm h GLU 189 CO -0.22 0.35 -0.16 -0.07 0.05 0.00 0.00 179.01 178.96 1brm h LEU 190 N 0.55 0.08 -0.51 3.06 3.38 -0.93 -2.29 115.31 118.64 1brm h LEU 190 Ca 0.53 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.34 1brm h LEU 190 Cb 0.90 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1brm h LEU 190 CO -0.44 0.25 -0.41 0.00 0.09 0.00 0.00 178.44 177.93 1brm h ALA 191 N 1.76 0.69 -2.12 1.53 0.00 0.12 -3.42 119.26 117.82 1brm h ALA 191 Ca 0.02 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1brm h ALA 191 Cb 0.34 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1brm h ALA 191 CO 0.02 0.67 0.51 0.99 0.00 0.00 0.00 179.25 181.44 1brm s THR 192 N -4.30 4.67 0.45 0.00 2.01 -0.72 -4.94 115.64 112.81 1brm s THR 192 Ca -0.09 1.15 0.12 0.00 0.31 0.00 0.00 61.69 63.18 1brm s THR 192 Cb 0.12 -4.26 0.29 0.00 0.01 0.00 0.00 72.50 68.65 1brm s THR 192 CO 0.86 -0.43 2.06 -0.65 -0.69 0.00 0.00 174.62 175.76 1brm h PRO 193 N 8.36 0.34 -3.15 4.92 0.11 -1.81 -3.25 132.00 137.51 1brm h PRO 193 Ca -0.24 -0.02 -0.73 0.00 0.11 0.00 0.00 66.00 65.12 1brm h PRO 193 Cb 1.09 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 1brm h PRO 193 CO 0.94 0.23 2.57 -1.13 -0.21 0.00 0.00 178.00 180.40 1brm n SER 194 N -4.48 6.58 -4.14 -2.05 3.41 -1.26 -4.92 113.62 106.75 1brm n SER 194 Ca 0.04 -3.01 -0.15 0.00 -0.26 0.00 0.00 58.87 55.49 1brm n SER 194 Cb 0.17 -1.47 -0.11 0.00 -0.26 0.00 0.00 64.21 62.55 1brm n SER 194 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1brm s SER 195 N 1.13 1.30 -0.34 4.04 1.04 -1.23 -5.12 113.70 114.52 1brm s SER 195 Ca 0.50 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 56.00 1brm s SER 195 Cb 0.15 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1brm s SER 195 CO -0.05 -0.22 0.79 0.00 0.98 0.00 0.00 173.24 174.74 1brm s ALA 196 N -1.93 3.47 0.19 5.32 0.00 -1.26 -4.95 121.76 122.60 1brm s ALA 196 Ca -0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 1brm s ALA 196 Cb -0.06 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 19.92 1brm s ALA 196 CO 0.00 -1.36 1.74 -0.84 0.00 0.00 0.00 175.76 175.30 1brm h ILE 197 N 5.68 0.79 -0.26 0.00 3.07 -1.98 0.79 117.51 125.60 1brm h ILE 197 Ca -0.24 -0.11 0.08 0.00 1.55 0.00 0.00 64.86 66.13 1brm h ILE 197 Cb 1.09 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1brm h ILE 197 CO 0.90 0.06 0.20 -0.07 -1.05 0.00 0.00 178.15 178.19 1brm h LEU 198 N 0.33 0.00 -0.03 0.16 3.38 -1.97 1.77 115.31 118.95 1brm h LEU 198 Ca 0.26 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.98 1brm h LEU 198 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1brm h LEU 198 CO -0.28 0.00 -1.09 0.44 0.09 0.00 0.00 178.44 177.60 1brm h ASP 199 N 0.00 0.42 -0.08 -0.43 3.32 -1.36 -0.39 116.42 117.90 1brm h ASP 199 Ca 0.12 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1brm h ASP 199 Cb 0.52 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1brm h ASP 199 CO -0.00 1.25 -0.07 0.40 -1.72 0.00 0.00 179.24 179.10 1brm h ILE 200 N 0.13 1.35 0.00 0.35 2.04 0.21 -2.92 117.51 118.67 1brm h ILE 200 Ca -0.10 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1brm h ILE 200 Cb 1.77 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 1brm h ILE 200 CO 0.18 0.33 -0.25 -0.08 0.00 0.00 0.00 178.15 178.32 1brm h GLU 201 N -0.21 0.00 -0.02 2.37 4.22 0.24 -2.81 114.58 118.36 1brm h GLU 201 Ca 0.02 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.28 1brm h GLU 201 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1brm h GLU 201 CO 0.02 0.25 -0.76 -0.09 -2.18 0.00 0.00 179.01 176.26 1brm h ARG 202 N 0.00 0.19 0.32 1.92 2.43 -1.03 -1.37 114.38 116.84 1brm h ARG 202 Ca -0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1brm h ARG 202 Cb 0.63 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1brm h ARG 202 CO 0.03 0.86 -0.15 0.87 -1.51 0.00 0.00 179.97 180.07 1brm h LYS 203 N 0.12 -0.42 -0.78 0.20 1.57 -1.30 -2.25 116.57 113.72 1brm h LYS 203 Ca -0.03 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1brm h LYS 203 Cb 1.33 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.70 1brm h LYS 203 CO 0.11 -0.11 0.33 -0.39 -0.57 0.00 0.00 179.45 178.83 1brm h VAL 204 N -0.76 1.25 -0.76 0.50 -1.51 -1.58 -0.38 116.25 113.01 1brm h VAL 204 Ca -0.04 -0.77 0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1brm h VAL 204 Cb 0.50 0.30 -0.05 0.00 -2.13 0.00 0.00 31.29 29.91 1brm h VAL 204 CO 0.07 0.32 0.47 0.74 -1.23 0.00 0.00 177.57 177.94 1brm h THR 205 N 1.13 1.07 0.72 7.19 2.02 -1.26 0.07 112.91 123.85 1brm h THR 205 Ca 0.26 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1brm h THR 205 Cb 0.18 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1brm h THR 205 CO -0.03 0.16 -0.35 0.74 0.37 0.00 0.00 175.52 176.42 1brm h THR 206 N 0.90 0.04 -0.72 3.16 2.02 -0.93 -2.94 112.91 114.44 1brm h THR 206 Ca 0.32 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 67.34 1brm h THR 206 Cb 0.07 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 66.41 1brm h THR 206 CO -0.13 0.01 -0.36 0.25 0.37 0.00 0.00 175.52 175.65 1brm h LEU 207 N -1.24 -1.27 -1.60 2.58 5.85 -0.94 1.00 115.31 119.70 1brm h LEU 207 Ca -0.10 0.26 0.37 0.00 0.84 0.00 0.00 57.88 59.24 1brm h LEU 207 Cb 0.75 0.64 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 1brm h LEU 207 CO 0.16 -0.30 0.85 0.74 -0.34 0.00 0.00 178.44 179.55 1brm h THR 208 N -0.11 0.32 -0.01 1.05 2.02 -0.97 0.39 112.91 115.59 1brm h THR 208 Ca 0.27 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1brm h THR 208 Cb 0.57 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1brm h THR 208 CO -0.78 0.03 -0.47 0.54 0.37 0.00 0.00 175.52 175.21 1brm n ARG 209 N -4.47 1.12 0.31 6.66 1.74 0.32 -4.62 116.66 117.72 1brm n ARG 209 Ca 0.31 -0.89 -0.12 0.00 -0.77 0.00 0.00 57.85 56.37 1brm n ARG 209 Cb 1.25 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 31.15 1brm n ARG 209 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1brm h SER 210 N 2.18 -0.69 0.00 0.55 4.64 0.25 -3.48 113.55 117.01 1brm h SER 210 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1brm h SER 210 Cb 0.71 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1brm h SER 210 CO 0.00 -0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.16 1brm n GLY 211 N -0.80 0.90 0.00 -0.77 0.00 -1.25 -4.95 105.19 98.32 1brm n GLY 211 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1brm n GLY 211 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1brm n GLU 212 N 0.00 0.76 -3.58 1.61 1.02 -1.26 -4.66 120.64 114.53 1brm n GLU 212 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1brm n GLU 212 Cb 0.00 -1.13 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 1brm n GLU 212 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1brm s LEU 213 N -1.27 4.30 -0.18 -4.62 1.02 -1.26 -5.04 118.68 111.63 1brm s LEU 213 Ca 0.10 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.56 1brm s LEU 213 Cb 0.04 -2.08 -0.06 0.00 0.02 0.00 0.00 46.19 44.11 1brm s LEU 213 CO 0.08 -0.20 2.19 -0.81 0.02 0.00 0.00 176.35 177.63 1brm n PRO 214 N 5.05 2.10 -0.76 1.29 -0.04 -1.26 -4.83 135.00 136.56 1brm n PRO 214 Ca -0.13 0.61 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 1brm n PRO 214 Cb 0.50 -3.21 0.11 0.00 -0.04 0.00 0.00 33.50 30.86 1brm n PRO 214 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1brm n VAL 215 N 7.43 1.14 0.13 0.52 0.24 -1.26 -4.87 118.33 121.65 1brm n VAL 215 Ca 0.29 -1.88 -0.16 0.00 -2.04 0.00 0.00 64.34 60.55 1brm n VAL 215 Cb 0.44 0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 1brm n VAL 215 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1brm h ASP 216 N 0.66 -1.39 -0.14 -1.34 3.32 -1.89 1.43 116.42 117.07 1brm h ASP 216 Ca -0.07 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1brm h ASP 216 Cb 1.33 0.51 -0.00 0.00 0.22 0.00 0.00 39.33 41.39 1brm h ASP 216 CO 0.03 -0.54 -0.13 0.78 -1.72 0.00 0.00 179.24 177.66 1brm h ASN 217 N -0.73 0.36 1.58 6.45 2.35 -1.94 -3.30 115.58 120.35 1brm h ASN 217 Ca 0.00 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.21 1brm h ASN 217 Cb 0.73 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1brm h ASN 217 CO -0.24 0.76 -0.43 -0.26 -1.65 0.00 0.00 177.43 175.60 1brm h PHE 218 N -0.03 0.00 0.00 1.19 0.04 -1.91 -3.48 116.94 112.75 1brm h PHE 218 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1brm h PHE 218 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1brm h PHE 218 CO 0.08 0.31 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 1brm n GLY 219 N 1.19 1.97 3.26 -1.45 0.00 0.49 -4.90 105.19 105.75 1brm n GLY 219 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1brm n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1brm s VAL 220 N -0.21 1.25 0.64 1.61 -7.23 -1.26 -4.85 120.40 110.35 1brm s VAL 220 Ca 0.00 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 1brm s VAL 220 Cb 0.00 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1brm s VAL 220 CO 0.00 -0.69 1.28 -2.84 -0.31 0.00 0.00 175.10 172.55 1brm s PRO 221 N -3.58 2.59 0.00 4.82 0.02 -1.26 -4.89 135.00 132.70 1brm s PRO 221 Ca 0.16 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1brm s PRO 221 Cb 0.01 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1brm s PRO 221 CO 0.02 -1.56 0.00 -0.11 -0.33 0.00 0.00 177.00 175.01 1brm n LEU 222 N -1.89 2.60 -4.64 -5.54 7.94 -1.26 -4.57 117.00 109.63 1brm n LEU 222 Ca 0.16 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.63 1brm n LEU 222 Cb 0.48 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 1brm n LEU 222 CO 0.47 0.43 1.55 0.00 -1.11 0.00 0.00 177.39 178.73 1brm s ALA 223 N -1.95 3.37 0.00 1.96 0.00 -1.26 -0.87 121.76 123.01 1brm s ALA 223 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1brm s ALA 223 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1brm s ALA 223 CO 0.00 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1brm n GLY 224 N 4.71 0.42 0.00 0.00 0.00 -1.26 -4.97 105.19 104.10 1brm n GLY 224 Ca 0.21 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1brm n GLY 224 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1brm n SER 225 N 1.89 0.00 -3.79 1.61 2.88 -0.04 -5.16 113.62 111.02 1brm n SER 225 Ca 0.00 -0.23 -0.06 0.00 -1.33 0.00 0.00 58.87 57.25 1brm n SER 225 Cb 0.12 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 1brm n SER 225 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1brm s LEU 226 N 0.00 -0.22 -0.20 2.46 0.05 -1.26 -4.45 118.68 115.06 1brm s LEU 226 Ca 0.00 -0.57 -0.04 0.00 0.05 0.00 0.00 54.13 53.57 1brm s LEU 226 Cb 0.00 2.55 0.07 0.00 -2.05 0.00 0.00 46.19 46.75 1brm s LEU 226 CO 0.00 -1.22 0.09 -0.63 -0.55 0.00 0.00 176.35 174.04 1brm s ILE 227 N -3.64 0.02 -0.81 1.48 1.01 -0.40 -4.96 121.20 113.90 1brm s ILE 227 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1brm s ILE 227 Cb -0.04 -0.74 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 1brm s ILE 227 CO 0.06 -0.37 2.69 -0.81 0.00 0.00 0.00 174.94 176.50 1brm n PRO 228 N 5.23 2.41 -3.64 2.79 -0.04 -1.26 -0.87 135.00 139.62 1brm n PRO 228 Ca -0.07 -1.45 -0.06 0.00 -0.04 0.00 0.00 63.50 61.89 1brm n PRO 228 Cb 0.47 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.51 1brm n PRO 228 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1brm s TRP 229 N 2.30 -0.53 -0.25 0.54 -0.11 -1.23 -4.95 118.94 114.71 1brm s TRP 229 Ca 0.54 1.16 0.01 0.00 1.22 0.00 0.00 56.10 59.02 1brm s TRP 229 Cb 0.18 0.37 0.07 0.00 -1.50 0.00 0.00 33.47 32.58 1brm s TRP 229 CO -0.03 -0.26 -0.03 0.42 -4.62 0.00 0.00 176.95 172.43 1brm s ILE 230 N 0.81 1.55 0.00 5.86 -1.09 -1.26 -4.62 121.20 122.44 1brm s ILE 230 Ca -0.03 -1.33 -0.06 0.00 -2.23 0.00 0.00 60.65 56.99 1brm s ILE 230 Cb -0.04 -1.86 -0.08 0.00 -1.58 0.00 0.00 42.46 38.90 1brm s ILE 230 CO -0.11 -0.19 0.66 0.47 -1.23 0.00 0.00 174.94 174.54 1brm n ASP 231 N 4.65 -0.15 -0.11 3.58 9.92 -1.26 -5.16 116.55 128.02 1brm n ASP 231 Ca -0.10 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.01 1brm n ASP 231 Cb 0.44 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1brm n ASP 231 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1brm n GLU 242 N 4.38 -0.47 -0.34 -1.24 -0.58 -1.26 -5.18 120.64 115.94 1brm n GLU 242 Ca 0.10 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.95 1brm n GLU 242 Cb 0.17 -0.89 0.32 0.00 -0.57 0.00 0.00 31.44 30.47 1brm n GLU 242 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1brm h TRP 243 N 0.00 1.04 0.00 -0.32 -0.00 -2.01 -1.43 115.95 113.23 1brm h TRP 243 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1brm h TRP 243 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 28.84 1brm h TRP 243 CO 0.00 0.29 -0.38 1.63 -0.00 0.00 0.00 178.44 179.98 1brm n LYS 244 N -4.69 0.05 -1.06 0.49 4.01 -1.26 -4.99 118.16 110.70 1brm n LYS 244 Ca 0.22 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 1brm n LYS 244 Cb 0.52 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1brm n LYS 244 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1brm n GLY 245 N 1.47 1.10 0.13 0.72 0.00 -0.54 -4.68 105.19 103.39 1brm n GLY 245 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1brm n GLY 245 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1brm h GLN 246 N 0.00 0.33 0.69 1.61 4.15 -1.76 -0.21 115.11 119.92 1brm h GLN 246 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1brm h GLN 246 Cb 0.47 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1brm h GLN 246 CO 0.00 0.36 -0.39 0.00 -1.93 0.00 0.00 178.83 176.86 1brm h ALA 247 N 0.96 -1.02 -0.77 3.38 0.00 -1.94 -1.43 119.26 118.44 1brm h ALA 247 Ca 0.08 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1brm h ALA 247 Cb 0.14 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1brm h ALA 247 CO -0.01 -1.09 0.42 0.93 0.00 0.00 0.00 179.25 179.51 1brm h GLU 248 N -1.01 0.69 -0.13 0.00 5.08 -1.94 0.19 114.58 117.47 1brm h GLU 248 Ca -0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1brm h GLU 248 Cb 0.80 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1brm h GLU 248 CO 0.11 0.46 0.04 1.15 -1.00 0.00 0.00 179.01 179.77 1brm h THR 249 N 0.72 0.97 -0.09 1.13 2.02 -0.88 0.18 112.91 116.95 1brm h THR 249 Ca 0.37 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.43 1brm h THR 249 Cb 0.36 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1brm h THR 249 CO -0.25 0.02 -0.37 0.78 0.37 0.00 0.00 175.52 176.07 1brm h ASN 250 N 0.11 0.19 -0.07 4.18 2.35 -0.56 -2.43 115.58 119.34 1brm h ASN 250 Ca 0.06 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1brm h ASN 250 Cb 0.03 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.36 1brm h ASN 250 CO -0.06 0.54 -0.54 0.50 -1.65 0.00 0.00 177.43 176.23 1brm h LYS 251 N 0.16 0.49 -0.75 0.81 3.64 -0.25 0.71 116.57 121.38 1brm h LYS 251 Ca 0.02 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1brm h LYS 251 Cb 0.72 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1brm h LYS 251 CO 0.05 1.07 0.48 0.82 -2.27 0.00 0.00 179.45 179.60 1brm h ILE 252 N 0.06 1.20 -0.01 2.00 2.04 -0.60 -1.42 117.51 120.79 1brm h ILE 252 Ca -0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1brm h ILE 252 Cb 1.20 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1brm h ILE 252 CO 0.11 0.20 -0.31 0.18 0.00 0.00 0.00 178.15 178.32 1brm n LEU 253 N -4.41 1.01 -4.07 1.44 4.77 -0.92 -4.60 117.00 110.23 1brm n LEU 253 Ca 0.08 -0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 1brm n LEU 253 Cb 0.04 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1brm n LEU 253 CO 0.37 0.20 -0.27 -3.20 -1.33 0.00 0.00 177.39 173.15 1brm n ASN 254 N -0.74 -1.58 -4.64 -1.43 5.15 0.17 -4.88 115.26 107.31 1brm n ASN 254 Ca 0.11 -1.17 -0.29 0.00 -0.60 0.00 0.00 54.58 52.63 1brm n ASN 254 Cb 0.35 -2.27 0.19 0.00 -0.53 0.00 0.00 39.78 37.52 1brm n ASN 254 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1brm s THR 255 N -3.92 2.18 -0.15 -0.44 -4.23 -0.78 -4.99 115.64 103.32 1brm s THR 255 Ca 0.20 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1brm s THR 255 Cb -0.09 -2.43 -0.24 0.00 1.34 0.00 0.00 72.50 71.08 1brm s THR 255 CO 0.94 -0.08 0.25 -1.54 -0.54 0.00 0.00 174.62 173.66 1brm n SER 256 N -4.31 1.99 -4.52 3.99 3.41 -1.26 -4.96 113.62 107.97 1brm n SER 256 Ca 0.05 0.14 -0.25 0.00 -0.26 0.00 0.00 58.87 58.56 1brm n SER 256 Cb 0.56 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1brm n SER 256 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1brm s SER 257 N -6.85 3.49 -0.01 4.04 0.01 -1.26 -5.11 113.70 108.01 1brm s SER 257 Ca -0.24 -1.21 -0.28 0.00 1.31 0.00 0.00 55.95 55.54 1brm s SER 257 Cb 0.07 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 1brm s SER 257 CO 0.74 -0.25 0.87 -0.69 0.41 0.00 0.00 173.24 174.32 1brm s VAL 258 N -2.72 4.89 -0.45 3.43 1.01 -1.26 -5.02 120.40 120.28 1brm s VAL 258 Ca 0.32 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 64.05 1brm s VAL 258 Cb 0.03 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.30 1brm s VAL 258 CO 0.15 0.22 0.30 -0.63 0.00 0.00 0.00 175.10 175.14 1brm s ILE 259 N 0.78 4.10 0.16 2.22 1.01 -1.26 -5.03 121.20 123.18 1brm s ILE 259 Ca 0.46 -1.70 -0.34 0.00 0.00 0.00 0.00 60.65 59.07 1brm s ILE 259 Cb -0.20 -3.65 -0.15 0.00 0.01 0.00 0.00 42.46 38.47 1brm s ILE 259 CO 0.25 -0.68 1.41 -2.65 0.00 0.00 0.00 174.94 173.26 1brm n PRO 260 N 4.87 1.69 -3.60 2.79 -0.02 -1.25 -4.83 135.00 134.65 1brm n PRO 260 Ca -0.08 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 1brm n PRO 260 Cb 0.41 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 1brm n PRO 260 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1brm s VAL 261 N 0.40 0.17 0.22 -1.45 1.01 -1.26 -0.03 120.40 119.45 1brm s VAL 261 Ca 0.77 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1brm s VAL 261 Cb -0.77 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1brm s VAL 261 CO 0.45 -0.68 0.15 -0.62 0.00 0.00 0.00 175.10 174.40 1brm s ASP 262 N 1.98 0.43 0.00 3.32 -1.08 -0.72 -4.18 116.67 116.43 1brm s ASP 262 Ca 0.08 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 50.68 1brm s ASP 262 Cb -0.16 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.69 1brm s ASP 262 CO -0.32 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.12 1brm n GLY 263 N -0.33 -0.40 2.82 2.66 0.00 -1.26 -0.91 105.19 107.76 1brm n GLY 263 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1brm n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1brm s LEU 264 N 0.00 1.26 -0.19 0.99 1.43 0.59 -4.95 118.68 117.82 1brm s LEU 264 Ca 0.00 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1brm s LEU 264 Cb 0.00 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 1brm s LEU 264 CO 0.00 -0.10 0.06 0.00 0.23 0.00 0.00 176.35 176.54 1brm s VAL 266 N 0.48 1.35 -0.21 0.00 1.01 -0.88 -3.52 120.40 118.63 1brm s VAL 266 Ca 0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1brm s VAL 266 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1brm s VAL 266 CO 0.01 0.33 0.43 -0.60 0.00 0.00 0.00 175.10 175.27 1brm s ARG 267 N -0.53 4.15 0.36 2.72 3.52 -0.05 -0.02 118.95 129.10 1brm s ARG 267 Ca 0.06 0.24 0.09 0.00 -0.13 0.00 0.00 55.73 55.99 1brm s ARG 267 Cb -0.07 -3.56 -0.06 0.00 -1.56 0.00 0.00 34.95 29.69 1brm s ARG 267 CO -0.00 -0.11 -0.02 0.14 -0.81 0.00 0.00 175.30 174.50 1brm s VAL 268 N 1.54 2.32 -1.12 7.11 -7.23 0.17 -1.28 120.40 121.91 1brm s VAL 268 Ca 0.20 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1brm s VAL 268 Cb -0.15 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 1brm s VAL 268 CO 0.09 -0.14 2.55 0.61 -0.31 0.00 0.00 175.10 177.89 1brm n GLY 269 N -0.92 3.53 3.55 2.32 0.00 -1.26 -4.45 105.19 107.96 1brm n GLY 269 Ca -0.04 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 1brm n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brm s ALA 270 N 2.68 2.92 -0.19 4.61 0.00 -1.26 -5.04 121.76 125.49 1brm s ALA 270 Ca 0.53 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 1brm s ALA 270 Cb 0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 23.12 22.62 1brm s ALA 270 CO -0.04 0.29 0.14 -0.07 0.00 0.00 0.00 175.76 176.07 1brm h LEU 271 N 2.16 0.00 0.00 0.00 3.38 -1.94 -0.62 115.31 118.29 1brm h LEU 271 Ca -0.42 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1brm h LEU 271 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1brm h LEU 271 CO 0.60 1.27 -0.73 0.54 0.09 0.00 0.00 178.44 180.21 1brm n ARG 272 N -4.49 2.26 -2.71 1.13 1.74 -1.26 -0.87 116.66 112.45 1brm n ARG 272 Ca -0.24 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.44 1brm n ARG 272 Cb 0.56 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1brm n ARG 272 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1brm s HIS 274 N -1.28 2.99 0.06 0.00 3.76 -0.11 -3.32 115.29 117.39 1brm s HIS 274 Ca 0.44 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 1brm s HIS 274 Cb -0.25 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 1brm s HIS 274 CO 0.31 -0.43 -0.05 -1.12 -0.85 0.00 0.00 174.74 172.61 1brm s SER 275 N 1.35 4.75 0.00 1.40 0.01 -0.72 -2.43 113.70 118.06 1brm s SER 275 Ca 0.04 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1brm s SER 275 Cb -0.14 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.00 1brm s SER 275 CO -0.01 0.22 -0.01 -1.10 0.41 0.00 0.00 173.24 172.75 1brm s GLN 276 N -1.95 0.08 -0.20 12.44 -0.21 -0.01 -0.19 119.66 129.63 1brm s GLN 276 Ca 0.21 -0.09 -0.04 0.00 0.02 0.00 0.00 55.36 55.47 1brm s GLN 276 Cb -0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.85 1brm s GLN 276 CO 0.13 0.01 -0.04 0.00 -2.12 0.00 0.00 175.29 173.26 1brm s ALA 277 N -0.17 2.85 0.25 6.09 0.00 -0.22 -0.49 121.76 130.06 1brm s ALA 277 Ca -0.01 -1.06 0.11 0.00 0.00 0.00 0.00 51.96 50.99 1brm s ALA 277 Cb -0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1brm s ALA 277 CO -0.00 -0.22 -0.13 -0.06 0.00 0.00 0.00 175.76 175.35 1brm s PHE 278 N 1.12 2.46 -0.36 0.00 0.08 0.15 -2.05 117.98 119.38 1brm s PHE 278 Ca 0.02 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1brm s PHE 278 Cb -0.15 -1.11 0.14 0.00 -0.57 0.00 0.00 43.02 41.34 1brm s PHE 278 CO -0.00 0.63 0.22 0.99 -0.10 0.00 0.00 175.22 176.97 1brm s THR 279 N -2.24 0.25 -0.16 0.64 2.01 -0.74 -2.29 115.64 113.11 1brm s THR 279 Ca 0.29 -1.85 -0.19 0.00 0.31 0.00 0.00 61.69 60.25 1brm s THR 279 Cb -0.06 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1brm s THR 279 CO 0.16 -1.00 0.54 -0.63 -0.69 0.00 0.00 174.62 173.00 1brm s ILE 280 N 0.94 5.11 -0.60 1.82 1.09 0.15 -2.39 121.20 127.33 1brm s ILE 280 Ca 0.19 1.05 -0.22 0.00 -1.10 0.00 0.00 60.65 60.57 1brm s ILE 280 Cb -0.21 -3.87 0.06 0.00 -1.06 0.00 0.00 42.46 37.38 1brm s ILE 280 CO -0.01 0.23 0.88 -0.75 -0.10 0.00 0.00 174.94 175.18 1brm s LYS 281 N 1.23 3.17 0.59 2.79 2.36 -0.94 -0.20 119.74 128.73 1brm s LYS 281 Ca 0.27 -0.73 -0.19 0.00 -2.55 0.00 0.00 55.97 52.76 1brm s LYS 281 Cb -0.16 -4.16 -0.04 0.00 -1.05 0.00 0.00 37.83 32.43 1brm s LYS 281 CO 0.11 -1.60 1.24 -0.51 1.55 0.00 0.00 175.35 176.14 1brm s LEU 282 N 3.66 3.70 0.00 5.43 1.43 0.15 -0.95 118.68 132.10 1brm s LEU 282 Ca 0.22 2.47 0.27 0.00 -1.03 0.00 0.00 54.13 56.07 1brm s LEU 282 Cb -0.17 -4.53 0.91 0.00 0.03 0.00 0.00 46.19 42.43 1brm s LEU 282 CO 0.13 -1.61 1.68 1.17 0.23 0.00 0.00 176.35 177.94 1brm n LYS 283 N -1.48 0.32 -3.63 1.70 4.81 0.12 -4.72 118.16 115.28 1brm n LYS 283 Ca 0.13 -0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1brm n LYS 283 Cb 0.49 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.97 1brm n LYS 283 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1brm s LYS 284 N -2.77 0.81 -0.39 1.64 1.02 -1.26 -5.07 119.74 113.72 1brm s LYS 284 Ca 0.19 1.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.94 1brm s LYS 284 Cb 0.19 0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 37.80 1brm s LYS 284 CO 0.57 -0.11 2.31 0.34 -0.92 0.00 0.00 175.35 177.54 1brm s ASP 285 N 0.60 4.88 -0.12 2.83 -1.08 -1.26 -4.93 116.67 117.58 1brm s ASP 285 Ca -0.02 1.37 -0.02 0.00 -0.52 0.00 0.00 52.55 53.37 1brm s ASP 285 Cb -0.05 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1brm s ASP 285 CO -0.03 -2.49 -0.06 -0.69 0.52 0.00 0.00 175.17 172.42 1brm s VAL 286 N 10.52 3.73 0.73 1.11 1.01 -1.26 -5.09 120.40 131.14 1brm s VAL 286 Ca 0.97 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1brm s VAL 286 Cb -0.23 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1brm s VAL 286 CO 0.29 0.54 1.25 -1.54 0.00 0.00 0.00 175.10 175.65 1brm n SER 287 N 3.01 1.59 -0.15 3.32 3.41 -1.26 -4.84 113.62 118.70 1brm n SER 287 Ca -0.18 0.71 -0.09 0.00 -0.26 0.00 0.00 58.87 59.05 1brm n SER 287 Cb 0.53 -1.54 -0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1brm n SER 287 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1brm h ILE 288 N -0.16 1.23 -0.70 -1.33 5.03 -1.98 -2.12 117.51 117.48 1brm h ILE 288 Ca -0.49 -0.81 0.10 0.00 -0.12 0.00 0.00 64.86 63.54 1brm h ILE 288 Cb 1.32 0.92 -0.08 0.00 -3.03 0.00 0.00 36.82 35.96 1brm h ILE 288 CO 0.50 0.29 0.32 -0.65 -0.68 0.00 0.00 178.15 177.92 1brm h PRO 289 N 0.58 0.51 -0.36 2.37 0.11 -1.99 0.42 132.00 133.65 1brm h PRO 289 Ca 0.14 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1brm h PRO 289 Cb 0.32 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1brm h PRO 289 CO 0.00 0.34 0.18 1.15 -0.21 0.00 0.00 178.00 179.46 1brm h THR 290 N 0.53 0.99 -0.33 -1.15 2.02 -1.88 0.39 112.91 113.47 1brm h THR 290 Ca 0.35 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1brm h THR 290 Cb 0.43 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1brm h THR 290 CO -0.30 0.07 0.11 0.58 0.37 0.00 0.00 175.52 176.34 1brm h VAL 291 N 0.37 1.15 -0.58 3.16 2.07 -0.40 0.37 116.25 122.39 1brm h VAL 291 Ca 0.15 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1brm h VAL 291 Cb 0.06 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1brm h VAL 291 CO -0.10 0.18 -0.03 -0.33 0.02 0.00 0.00 177.57 177.31 1brm h GLU 292 N 0.47 1.04 0.20 1.57 5.08 0.97 -0.55 114.58 123.37 1brm h GLU 292 Ca 0.12 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1brm h GLU 292 Cb 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1brm h GLU 292 CO -0.01 1.04 -0.10 0.93 -1.00 0.00 0.00 179.01 179.87 1brm h GLU 293 N 0.93 -0.26 -0.52 2.33 5.08 0.22 -1.13 114.58 121.22 1brm h GLU 293 Ca 0.16 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1brm h GLU 293 Cb 0.59 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 1brm h GLU 293 CO 0.04 0.08 0.07 -0.07 -1.00 0.00 0.00 179.01 178.12 1brm h LEU 294 N -0.65 -0.08 -0.32 1.33 3.38 -0.24 -0.44 115.31 118.29 1brm h LEU 294 Ca -0.03 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1brm h LEU 294 Cb 0.47 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1brm h LEU 294 CO 0.05 -0.02 -0.10 -0.07 0.09 0.00 0.00 178.44 178.38 1brm h LEU 295 N 0.19 0.64 -1.16 1.67 3.38 -1.11 -3.03 115.31 115.89 1brm h LEU 295 Ca 0.27 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1brm h LEU 295 Cb 0.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1brm h LEU 295 CO -0.38 0.87 0.44 0.00 0.09 0.00 0.00 178.44 179.46 1brm h ALA 296 N 0.78 1.37 0.19 1.53 0.00 -0.63 -3.32 119.26 119.18 1brm h ALA 296 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1brm h ALA 296 Cb 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1brm h ALA 296 CO 0.04 0.54 -0.09 0.00 0.00 0.00 0.00 179.25 179.74 1brm h ALA 297 N 1.45 -0.47 0.00 0.00 0.00 -1.10 -3.38 119.26 115.76 1brm h ALA 297 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1brm h ALA 297 Cb -0.02 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1brm h ALA 297 CO -0.05 -0.45 0.00 1.58 0.00 0.00 0.00 179.25 180.33 1brm n HIS 298 N -3.43 0.00 -3.72 0.00 -0.00 -1.15 -4.40 115.22 102.53 1brm n HIS 298 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.59 1brm n HIS 298 Cb 0.10 -0.36 -0.06 0.00 -0.00 0.00 0.00 29.99 29.67 1brm n HIS 298 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1brm s ASN 299 N -3.62 -0.12 -0.01 0.26 2.20 -1.26 -4.98 114.94 107.42 1brm s ASN 299 Ca 0.00 -0.37 0.02 0.00 -0.94 0.00 0.00 52.86 51.57 1brm s ASN 299 Cb 0.00 0.41 0.08 0.00 -2.00 0.00 0.00 41.25 39.74 1brm s ASN 299 CO 0.00 -0.76 0.82 -0.81 -2.94 0.00 0.00 177.10 173.41 1brm n PRO 300 N 0.02 1.30 -0.00 3.55 -0.04 -1.26 -3.54 135.00 135.02 1brm n PRO 300 Ca -0.16 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 1brm n PRO 300 Cb 0.62 -1.34 -0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1brm n PRO 300 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1brm n TRP 301 N -0.09 0.00 -1.53 0.54 8.01 -1.26 -4.80 117.44 118.30 1brm n TRP 301 Ca 0.03 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.81 1brm n TRP 301 Cb 0.22 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.50 1brm n TRP 301 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1brm n ALA 302 N -1.39 6.28 -1.78 6.99 0.00 -1.23 -0.71 120.51 128.67 1brm n ALA 302 Ca -0.00 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.32 1brm n ALA 302 Cb 0.01 -3.47 -0.03 0.00 0.00 0.00 0.00 19.45 15.96 1brm n ALA 302 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1brm s LYS 303 N 2.84 3.93 -0.23 0.00 2.20 -1.25 -4.41 119.74 122.83 1brm s LYS 303 Ca 0.56 2.32 -0.25 0.00 -0.36 0.00 0.00 55.97 58.24 1brm s LYS 303 Cb 0.16 -4.15 -0.01 0.00 -1.51 0.00 0.00 37.83 32.32 1brm s LYS 303 CO -0.07 -1.17 0.83 0.08 -0.36 0.00 0.00 175.35 174.66 1brm s VAL 304 N 5.13 4.84 -0.26 4.02 1.01 -1.26 -0.45 120.40 133.43 1brm s VAL 304 Ca 0.86 1.59 -0.10 0.00 0.00 0.00 0.00 61.98 64.32 1brm s VAL 304 Cb -0.37 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1brm s VAL 304 CO 0.37 -0.06 0.17 -0.69 0.00 0.00 0.00 175.10 174.88 1brm s VAL 305 N 2.73 5.22 0.82 2.92 1.01 0.91 -4.95 120.40 129.07 1brm s VAL 305 Ca 0.36 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1brm s VAL 305 Cb -0.15 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1brm s VAL 305 CO 0.08 0.29 1.06 -2.65 0.00 0.00 0.00 175.10 173.88 1brm n PRO 306 N 4.79 0.11 -0.86 2.72 -0.02 -1.26 -4.15 135.00 136.32 1brm n PRO 306 Ca -0.15 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1brm n PRO 306 Cb 0.52 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 1brm n PRO 306 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1brm n ASN 307 N -2.86 4.77 -4.61 2.55 4.05 -1.26 -4.50 115.26 113.40 1brm n ASN 307 Ca 0.12 -2.38 -0.33 0.00 0.45 0.00 0.00 54.58 52.45 1brm n ASN 307 Cb 0.51 -1.26 -0.10 0.00 1.23 0.00 0.00 39.78 40.15 1brm n ASN 307 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1brm s ASP 308 N 2.08 4.74 0.09 1.20 1.01 -1.26 -5.01 116.67 119.52 1brm s ASP 308 Ca 0.54 -0.09 -0.28 0.00 0.71 0.00 0.00 52.55 53.43 1brm s ASP 308 Cb 0.26 -1.15 -0.11 0.00 1.01 0.00 0.00 42.92 42.93 1brm s ASP 308 CO 0.00 0.29 1.44 -0.09 0.21 0.00 0.00 175.17 177.03 1brm h ARG 309 N 4.59 -0.53 0.08 8.23 2.43 -1.99 -2.04 114.38 125.15 1brm h ARG 309 Ca -0.49 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1brm h ARG 309 Cb 1.17 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1brm h ARG 309 CO 0.54 -0.35 -0.35 0.93 -1.51 0.00 0.00 179.97 179.22 1brm h GLU 310 N -0.55 -0.48 -0.48 0.20 3.07 -1.97 -2.01 114.58 112.36 1brm h GLU 310 Ca 0.01 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1brm h GLU 310 Cb 0.58 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.54 1brm h GLU 310 CO -0.28 -0.32 0.13 0.97 -1.40 0.00 0.00 179.01 178.11 1brm h ILE 311 N -0.50 0.78 -0.68 3.13 2.10 -1.92 -1.67 117.51 118.75 1brm h ILE 311 Ca -0.00 -0.10 0.11 0.00 1.08 0.00 0.00 64.86 65.95 1brm h ILE 311 Cb 0.50 0.47 -0.08 0.00 -1.09 0.00 0.00 36.82 36.63 1brm h ILE 311 CO -0.20 0.05 0.29 0.74 -1.08 0.00 0.00 178.15 177.96 1brm h THR 312 N 0.28 0.77 0.00 2.19 2.02 -1.20 0.25 112.91 117.22 1brm h THR 312 Ca 0.24 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1brm h THR 312 Cb 0.28 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1brm h THR 312 CO -0.28 0.09 -0.29 0.24 0.37 0.00 0.00 175.52 175.65 1brm h MET 313 N 0.48 0.00 0.15 6.66 2.86 -0.73 -1.87 114.93 122.48 1brm h MET 313 Ca 0.35 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.76 1brm h MET 313 Cb 0.44 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.12 1brm h MET 313 CO -0.32 0.29 -1.08 -0.09 1.06 0.00 0.00 176.91 176.78 1brm h ARG 314 N 0.00 0.31 0.00 1.72 2.43 -0.07 -3.44 114.38 115.34 1brm h ARG 314 Ca -0.00 -0.53 -0.38 0.00 -0.81 0.00 0.00 59.98 58.25 1brm h ARG 314 Cb 0.70 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 1brm h ARG 314 CO 0.04 1.25 -2.33 0.39 -1.51 0.00 0.00 179.97 177.81 1brm n GLU 315 N -4.02 0.53 -0.84 0.20 1.02 0.66 -4.70 120.64 113.49 1brm n GLU 315 Ca -0.18 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 1brm n GLU 315 Cb 0.88 -1.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.77 1brm n GLU 315 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1brm n LEU 316 N -3.75 4.49 -3.93 -4.62 7.94 -0.70 -4.51 117.00 111.91 1brm n LEU 316 Ca -0.45 -2.77 -0.10 0.00 -1.11 0.00 0.00 56.01 51.58 1brm n LEU 316 Cb 0.87 -1.21 -0.12 0.00 0.53 0.00 0.00 43.42 43.50 1brm n LEU 316 CO 0.10 1.37 -0.33 0.42 -1.11 0.00 0.00 177.39 177.84 1brm s THR 317 N 1.26 0.08 0.23 1.96 -4.23 -1.26 -4.93 115.64 108.75 1brm s THR 317 Ca 0.56 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 60.33 1brm s THR 317 Cb 0.27 -0.23 0.25 0.00 1.34 0.00 0.00 72.50 74.12 1brm s THR 317 CO 0.00 -0.36 1.64 -0.65 -0.54 0.00 0.00 174.62 174.72 1brm h PRO 318 N 4.97 0.10 -1.07 3.99 0.11 -1.95 0.35 132.00 138.50 1brm h PRO 318 Ca -0.30 -0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.10 1brm h PRO 318 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1brm h PRO 318 CO 0.43 0.07 0.73 0.00 -0.21 0.00 0.00 178.00 179.01 1brm h ALA 319 N 1.65 2.64 0.13 -0.75 0.00 -1.96 0.17 119.26 121.14 1brm h ALA 319 Ca 0.37 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 1brm h ALA 319 Cb 0.63 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1brm h ALA 319 CO -0.61 -1.00 -1.52 0.00 0.00 0.00 0.00 179.25 176.12 1brm h ALA 320 N 1.54 0.23 0.16 0.00 0.00 -0.60 -3.39 119.26 117.19 1brm h ALA 320 Ca 0.55 -1.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 1brm h ALA 320 Cb 1.80 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1brm h ALA 320 CO -0.15 1.09 -1.83 0.28 0.00 0.00 0.00 179.25 178.65 1brm h VAL 321 N 0.08 0.83 -0.73 0.00 2.07 -0.37 -3.47 116.25 114.66 1brm h VAL 321 Ca -0.24 -2.47 -0.61 0.00 0.82 0.00 0.00 66.70 64.20 1brm h VAL 321 Cb 2.03 2.67 0.02 0.00 -1.52 0.00 0.00 31.29 34.49 1brm h VAL 321 CO 0.17 0.87 0.30 0.41 0.02 0.00 0.00 177.57 179.34 1brm n THR 322 N -3.54 0.00 -0.86 2.57 -1.04 0.45 -0.43 114.28 111.42 1brm n THR 322 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1brm n THR 322 Cb 1.07 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 1brm n THR 322 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1brm n GLY 323 N 2.10 0.97 3.73 3.41 0.00 -1.26 -5.03 105.19 109.11 1brm n GLY 323 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1brm n GLY 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1brm s THR 324 N -3.74 2.95 -1.80 2.61 -4.23 0.43 -5.02 115.64 106.83 1brm s THR 324 Ca 0.00 -1.70 0.15 0.00 -1.18 0.00 0.00 61.69 58.95 1brm s THR 324 Cb 0.00 -2.97 0.46 0.00 1.34 0.00 0.00 72.50 71.33 1brm s THR 324 CO 0.00 -0.17 1.36 0.18 -0.54 0.00 0.00 174.62 175.46 1brm n LEU 325 N -1.15 2.87 -4.76 4.79 4.77 -1.26 -4.49 117.00 117.77 1brm n LEU 325 Ca -0.03 -1.44 -0.40 0.00 -0.03 0.00 0.00 56.01 54.11 1brm n LEU 325 Cb 0.62 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1brm n LEU 325 CO 0.43 0.65 0.50 -0.89 -1.33 0.00 0.00 177.39 176.74 1brm s THR 326 N -1.44 4.51 -0.54 -5.08 2.01 -1.26 -4.84 115.64 108.99 1brm s THR 326 Ca 0.34 1.72 0.06 0.00 0.31 0.00 0.00 61.69 64.12 1brm s THR 326 Cb 0.19 -4.15 0.22 0.00 0.01 0.00 0.00 72.50 68.77 1brm s THR 326 CO 0.21 0.45 0.56 0.35 -0.69 0.00 0.00 174.62 175.49 1brm n THR 327 N 2.14 0.65 -2.01 -0.82 -2.24 0.11 -4.41 114.28 107.71 1brm n THR 327 Ca -0.04 -4.46 -0.38 0.00 -2.27 0.00 0.00 64.05 56.90 1brm n THR 327 Cb 0.49 -1.99 0.02 0.00 -2.10 0.00 0.00 70.33 66.75 1brm n THR 327 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1brm s PRO 328 N -1.43 3.40 -0.06 -0.78 0.04 -1.15 -3.77 135.00 131.26 1brm s PRO 328 Ca 0.34 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.44 1brm s PRO 328 Cb 0.10 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1brm s PRO 328 CO -0.11 -0.91 -0.22 0.08 0.04 0.00 0.00 177.00 175.89 1brm s VAL 329 N -1.43 1.80 0.10 -0.36 1.01 0.41 -2.20 120.40 119.72 1brm s VAL 329 Ca 0.68 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1brm s VAL 329 Cb -0.34 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1brm s VAL 329 CO 0.41 0.50 0.16 0.61 0.00 0.00 0.00 175.10 176.78 1brm n GLY 330 N 3.10 2.55 3.32 4.51 0.00 0.01 -0.06 105.19 118.60 1brm n GLY 330 Ca -0.18 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 1brm n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brm n ARG 331 N -0.16 -4.84 -2.76 1.61 5.12 -1.26 -0.45 116.66 113.93 1brm n ARG 331 Ca -0.01 0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 56.21 1brm n ARG 331 Cb 0.16 -5.56 -0.03 0.00 -1.16 0.00 0.00 32.46 25.87 1brm n ARG 331 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1brm s LEU 332 N -6.78 4.08 -0.10 0.55 1.43 -1.25 -3.94 118.68 112.68 1brm s LEU 332 Ca 0.42 1.21 -0.31 0.00 -1.03 0.00 0.00 54.13 54.42 1brm s LEU 332 Cb -0.20 -3.39 0.12 0.00 0.03 0.00 0.00 46.19 42.75 1brm s LEU 332 CO 0.51 -0.62 1.00 0.00 0.23 0.00 0.00 176.35 177.47 1brm s ARG 333 N 3.08 0.62 -0.00 1.70 1.70 -1.20 -4.84 118.95 120.01 1brm s ARG 333 Ca 0.40 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.25 1brm s ARG 333 Cb -0.15 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1brm s ARG 333 CO 0.07 -0.25 1.02 0.15 -1.08 0.00 0.00 175.30 175.22 1brm s LYS 334 N -2.28 4.52 0.83 3.89 -0.14 -1.26 -2.04 119.74 123.25 1brm s LYS 334 Ca 0.04 1.48 -0.12 0.00 -1.36 0.00 0.00 55.97 56.01 1brm s LYS 334 Cb -0.01 -3.45 0.09 0.00 -1.68 0.00 0.00 37.83 32.77 1brm s LYS 334 CO -0.05 -0.12 1.10 -0.51 -0.76 0.00 0.00 175.35 175.01 1brm s LEU 335 N 1.17 2.48 0.57 3.17 1.43 -0.91 -4.95 118.68 121.63 1brm s LEU 335 Ca 0.53 1.29 0.34 0.00 -1.03 0.00 0.00 54.13 55.26 1brm s LEU 335 Cb -0.22 -3.84 1.66 0.00 0.03 0.00 0.00 46.19 43.82 1brm s LEU 335 CO 0.27 -2.14 2.11 0.78 0.23 0.00 0.00 176.35 177.60 1brm h ASN 336 N -1.20 0.00 0.00 2.29 2.35 -1.96 -2.94 115.58 114.12 1brm h ASN 336 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1brm h ASN 336 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1brm h ASN 336 CO 0.59 0.05 0.00 1.15 -1.65 0.00 0.00 177.43 177.57 1brm n MET 337 N -3.27 0.66 0.00 0.81 0.00 -1.26 -4.89 117.12 109.17 1brm n MET 337 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1brm n MET 337 Cb 0.23 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.35 1brm n MET 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1brm n GLY 338 N 0.19 4.06 0.00 3.17 0.00 -1.11 -4.87 105.19 106.64 1brm n GLY 338 Ca 0.03 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.64 1brm n GLY 338 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1brm n PRO 339 N -1.43 0.58 0.00 1.61 -0.02 -1.26 -1.36 135.00 133.13 1brm n PRO 339 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1brm n PRO 339 Cb 0.00 -1.30 0.37 0.00 -0.02 0.00 0.00 33.50 32.54 1brm n PRO 339 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1brm n GLU 340 N -0.80 1.84 -4.43 -0.52 2.13 -1.26 -4.57 120.64 113.03 1brm n GLU 340 Ca 0.08 -1.27 -0.34 0.00 0.66 0.00 0.00 57.16 56.30 1brm n GLU 340 Cb 0.04 -1.47 -0.13 0.00 0.27 0.00 0.00 31.44 30.15 1brm n GLU 340 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1brm s PHE 341 N -2.03 2.97 0.07 4.31 0.40 -0.46 0.34 117.98 123.58 1brm s PHE 341 Ca 0.34 -0.44 0.09 0.00 -0.60 0.00 0.00 56.93 56.32 1brm s PHE 341 Cb 0.21 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1brm s PHE 341 CO 0.34 -0.13 -0.23 -1.17 0.70 0.00 0.00 175.22 174.73 1brm s LEU 342 N 0.48 2.22 0.08 -0.37 2.96 0.72 -2.14 118.68 122.63 1brm s LEU 342 Ca -0.05 -0.61 0.10 0.00 -0.22 0.00 0.00 54.13 53.35 1brm s LEU 342 Cb -0.15 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1brm s LEU 342 CO 0.03 0.17 -0.26 -0.94 -1.32 0.00 0.00 176.35 174.03 1brm s SER 343 N -1.48 3.11 -0.07 3.68 1.04 -0.87 0.34 113.70 119.46 1brm s SER 343 Ca 0.09 -0.65 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 1brm s SER 343 Cb -0.10 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 65.84 1brm s SER 343 CO 0.03 0.20 0.58 0.00 0.98 0.00 0.00 173.24 175.04 1brm s ALA 344 N -0.93 -1.50 -0.10 5.32 0.00 -0.97 -3.23 121.76 120.35 1brm s ALA 344 Ca 0.12 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1brm s ALA 344 Cb -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1brm s ALA 344 CO 0.04 -0.33 -0.14 0.12 0.00 0.00 0.00 175.76 175.45 1brm s PHE 345 N -0.98 1.79 0.21 0.00 5.36 0.41 0.34 117.98 125.11 1brm s PHE 345 Ca -0.10 -0.81 0.11 0.00 -0.96 0.00 0.00 56.93 55.17 1brm s PHE 345 Cb -0.02 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.30 1brm s PHE 345 CO 0.07 -0.43 -0.21 0.95 -1.46 0.00 0.00 175.22 174.14 1brm s THR 346 N 1.00 2.23 0.03 0.12 -4.23 0.35 -0.81 115.64 114.32 1brm s THR 346 Ca -0.07 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.35 1brm s THR 346 Cb -0.15 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 1brm s THR 346 CO -0.01 -0.26 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.05 1brm s VAL 347 N -2.04 0.45 -0.27 2.29 1.01 -0.94 -0.83 120.40 120.07 1brm s VAL 347 Ca 0.22 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1brm s VAL 347 Cb -0.06 -0.49 0.14 0.00 0.00 0.00 0.00 36.38 35.96 1brm s VAL 347 CO 0.10 -0.26 1.12 -0.83 0.00 0.00 0.00 175.10 175.23 1brm s GLY 348 N -1.16 -0.06 0.05 4.51 0.00 -1.02 -2.91 107.32 106.72 1brm s GLY 348 Ca -0.07 2.76 -0.31 0.00 0.00 0.00 0.00 44.72 47.10 1brm s GLY 348 CO 0.00 1.71 1.46 -0.35 0.00 0.00 0.00 173.10 175.92 1brm s ASP 349 N -0.05 6.78 0.24 1.64 -1.08 -1.26 -0.94 116.67 122.00 1brm s ASP 349 Ca 0.03 2.27 0.03 0.00 -0.52 0.00 0.00 52.55 54.36 1brm s ASP 349 Cb -0.04 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.11 1brm s ASP 349 CO -0.07 -0.74 1.58 -0.61 0.52 0.00 0.00 175.17 175.86 1brm h GLN 350 N 7.63 0.35 0.00 4.34 -0.00 -1.44 -3.22 115.11 122.77 1brm h GLN 350 Ca -0.40 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.01 1brm h GLN 350 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.69 1brm h GLN 350 CO 0.90 0.79 -0.12 -0.07 0.00 0.00 0.00 178.83 180.32 1brm h LEU 351 N 0.27 0.00 0.00 -2.39 3.38 -1.90 -1.94 115.31 112.73 1brm h LEU 351 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1brm h LEU 351 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1brm h LEU 351 CO 0.09 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.92 1brm n LEU 352 N -3.21 0.00 0.28 1.67 4.77 -1.22 -2.23 117.00 117.07 1brm n LEU 352 Ca 0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1brm n LEU 352 Cb 0.43 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.35 1brm n LEU 352 CO 0.32 0.00 1.09 -0.50 -1.33 0.00 0.00 177.39 176.97 1brm h TRP 353 N 0.00 0.00 0.00 -1.77 4.06 -1.81 0.61 115.95 117.04 1brm h TRP 353 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1brm h TRP 353 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1brm h TRP 353 CO 0.00 0.02 -0.11 0.41 -3.56 0.00 0.00 178.44 175.20 1brm n GLY 354 N -1.27 -1.50 0.14 1.49 0.00 -1.16 -4.62 105.19 98.26 1brm n GLY 354 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1brm n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brm n ALA 355 N -1.58 2.06 -0.00 4.61 0.00 -0.32 -4.08 120.51 121.19 1brm n ALA 355 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 1brm n ALA 355 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 1brm n ALA 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1brm h ALA 356 N 0.00 0.00 -0.98 0.00 0.00 -0.88 -3.39 119.26 114.02 1brm h ALA 356 Ca 0.00 -0.56 0.19 0.00 0.00 0.00 0.00 54.91 54.54 1brm h ALA 356 Cb 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.65 1brm h ALA 356 CO 0.00 0.22 -0.27 -1.91 0.00 0.00 0.00 179.25 177.28 1brm n GLU 357 N -4.35 -0.12 -0.16 0.00 4.07 0.06 0.09 120.64 120.23 1brm n GLU 357 Ca -0.11 1.53 0.06 0.00 -0.06 0.00 0.00 57.16 58.58 1brm n GLU 357 Cb 0.63 -2.28 0.36 0.00 -0.06 0.00 0.00 31.44 30.09 1brm n GLU 357 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1brm h PRO 358 N 0.00 0.71 0.34 5.31 0.11 -1.76 -2.25 132.00 134.47 1brm h PRO 358 Ca 0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.50 1brm h PRO 358 Cb 0.69 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1brm h PRO 358 CO -1.01 0.47 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.02 1brm h LEU 359 N 0.73 -0.39 -0.96 2.35 3.38 -0.55 -1.94 115.31 117.94 1brm h LEU 359 Ca 0.30 -0.16 0.27 0.00 0.09 0.00 0.00 57.88 58.38 1brm h LEU 359 Cb 0.23 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1brm h LEU 359 CO -0.09 -0.01 0.47 -0.09 0.09 0.00 0.00 178.44 178.80 1brm h ARG 360 N -0.81 0.34 0.04 1.13 2.43 -0.99 0.09 114.38 116.60 1brm h ARG 360 Ca -0.05 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 1brm h ARG 360 Cb 0.52 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1brm h ARG 360 CO 0.08 0.22 -1.03 0.00 -1.51 0.00 0.00 179.97 177.73 1brm h ARG 361 N 0.35 0.11 -0.40 0.20 3.08 -1.39 -2.81 114.38 113.52 1brm h ARG 361 Ca 0.65 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.48 1brm h ARG 361 Cb 1.38 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1brm h ARG 361 CO -0.59 1.04 0.07 1.98 -1.07 0.00 0.00 179.97 181.40 1brm h MET 362 N 0.04 0.66 -0.84 0.04 4.05 -0.21 -2.29 114.93 116.38 1brm h MET 362 Ca -0.05 -0.17 0.05 0.00 -0.28 0.00 0.00 59.70 59.24 1brm h MET 362 Cb 1.74 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 32.41 1brm h MET 362 CO 0.15 0.70 0.53 1.25 0.23 0.00 0.00 176.91 179.77 1brm h LEU 363 N 0.51 0.85 -0.75 3.39 5.85 -1.21 -1.74 115.31 122.21 1brm h LEU 363 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1brm h LEU 363 Cb 0.36 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1brm h LEU 363 CO 0.01 0.56 0.45 0.03 -0.34 0.00 0.00 178.44 179.15 1brm h ARG 364 N 0.99 0.81 -0.73 1.25 2.47 -1.19 -0.24 114.38 117.75 1brm h ARG 364 Ca 0.35 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1brm h ARG 364 Cb 0.09 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 1brm h ARG 364 CO -0.15 0.54 0.45 1.96 0.56 0.00 0.00 179.97 183.33 1brm h GLN 365 N 0.84 0.97 0.00 0.04 4.20 -0.78 -2.95 115.11 117.43 1brm h GLN 365 Ca 0.33 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1brm h GLN 365 Cb 0.14 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1brm h GLN 365 CO -0.16 0.68 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.39 1brm h LEU 366 N 0.99 0.00 0.00 1.46 3.38 -0.99 -3.52 115.31 116.62 1brm h LEU 366 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1brm h LEU 366 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1brm h LEU 366 CO -0.05 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.49