#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9i n ALA 6 N 0.00 0.66 -0.92 3.14 0.00 -1.26 -4.96 120.51 117.17 1b9i n ALA 6 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1b9i n ALA 6 Cb 0.00 -2.25 0.14 0.00 0.00 0.00 0.00 19.45 17.34 1b9i n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1b9i s PRO 7 N -3.32 1.47 0.00 0.00 0.04 -1.26 -5.03 135.00 126.90 1b9i s PRO 7 Ca 0.80 1.38 0.06 0.00 0.04 0.00 0.00 61.00 63.27 1b9i s PRO 7 Cb -0.37 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1b9i s PRO 7 CO 0.44 -2.26 -0.18 -1.21 0.04 0.00 0.00 177.00 173.83 1b9i s GLU 8 N -4.75 1.37 0.20 4.56 2.02 -1.26 -4.96 118.70 115.87 1b9i s GLU 8 Ca 0.65 -0.69 0.11 0.00 0.02 0.00 0.00 54.97 55.06 1b9i s GLU 8 Cb -0.21 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 1b9i s GLU 8 CO 0.57 0.36 -0.19 -0.06 0.02 0.00 0.00 175.26 175.97 1b9i s PHE 9 N -0.51 2.40 0.48 1.61 0.08 -1.26 -4.83 117.98 115.96 1b9i s PHE 9 Ca 0.06 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.56 1b9i s PHE 9 Cb -0.07 -1.17 -0.07 0.00 -0.57 0.00 0.00 43.02 41.14 1b9i s PHE 9 CO -0.00 0.52 1.40 -2.14 -0.10 0.00 0.00 175.22 174.90 1b9i s PRO 10 N -2.81 3.49 0.83 0.24 0.02 -1.25 -4.98 135.00 130.54 1b9i s PRO 10 Ca 0.23 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.46 1b9i s PRO 10 Cb -0.08 -2.51 0.09 0.00 0.02 0.00 0.00 34.50 32.03 1b9i s PRO 10 CO 0.12 -0.94 1.19 0.00 -0.33 0.00 0.00 177.00 177.04 1b9i n ALA 11 N -0.49 -0.17 -3.46 -1.55 0.00 -1.26 -4.82 120.51 108.75 1b9i n ALA 11 Ca 0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1b9i n ALA 11 Cb 0.43 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1b9i n ALA 11 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1b9i s TRP 12 N -2.21 -0.53 1.23 0.00 -0.11 -1.26 -4.44 118.94 111.62 1b9i s TRP 12 Ca 0.72 1.23 -0.18 0.00 1.22 0.00 0.00 56.10 59.09 1b9i s TRP 12 Cb -0.28 0.21 0.29 0.00 -1.50 0.00 0.00 33.47 32.19 1b9i s TRP 12 CO 0.52 -0.27 1.05 -1.25 -4.62 0.00 0.00 176.95 172.37 1b9i s PRO 13 N 0.67 -1.42 0.22 5.86 0.04 -1.26 -5.05 135.00 134.04 1b9i s PRO 13 Ca -0.04 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.31 1b9i s PRO 13 Cb -0.05 -1.55 -0.05 0.00 0.04 0.00 0.00 34.50 32.90 1b9i s PRO 13 CO -0.04 -3.90 -0.22 -0.65 0.04 0.00 0.00 177.00 172.22 1b9i s GLN 14 N -5.11 1.55 0.33 4.56 -0.21 -1.26 -5.14 119.66 114.37 1b9i s GLN 14 Ca 0.69 -1.59 -0.14 0.00 0.02 0.00 0.00 55.36 54.34 1b9i s GLN 14 Cb -0.14 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.11 1b9i s GLN 14 CO 0.58 0.37 0.66 1.52 -2.12 0.00 0.00 175.29 176.30 1b9i s TYR 15 N -1.97 0.27 0.00 0.91 1.13 -1.26 -5.01 117.35 111.42 1b9i s TYR 15 Ca 0.23 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 1b9i s TYR 15 Cb -0.07 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.31 1b9i s TYR 15 CO 0.11 -1.31 0.00 -0.40 -2.51 0.00 0.00 175.55 171.44 1b9i n ASP 16 N -1.01 2.64 0.19 -0.18 5.68 -1.26 -5.01 116.55 117.60 1b9i n ASP 16 Ca -0.04 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.30 1b9i n ASP 16 Cb 0.60 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.98 1b9i n ASP 16 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1b9i h ASP 17 N 0.00 0.00 -0.49 -1.12 3.32 -2.02 -0.89 116.42 115.22 1b9i h ASP 17 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1b9i h ASP 17 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1b9i h ASP 17 CO 0.00 0.36 0.11 0.00 -1.72 0.00 0.00 179.24 177.99 1b9i h ALA 18 N 1.64 0.56 0.20 3.45 0.00 -1.97 -0.16 119.26 122.98 1b9i h ALA 18 Ca -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1b9i h ALA 18 Cb 0.74 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1b9i h ALA 18 CO 0.05 -0.30 -0.09 0.93 0.00 0.00 0.00 179.25 179.84 1b9i h GLU 19 N 0.25 -0.25 -0.41 0.00 3.07 -1.53 -0.84 114.58 114.87 1b9i h GLU 19 Ca 0.24 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1b9i h GLU 19 Cb 0.32 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.21 1b9i h GLU 19 CO -0.31 -0.01 -0.50 0.00 -1.40 0.00 0.00 179.01 176.78 1b9i h ARG 20 N -0.47 -0.32 -0.81 2.33 3.08 -1.25 -1.41 114.38 115.53 1b9i h ARG 20 Ca -0.03 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1b9i h ARG 20 Cb 0.36 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1b9i h ARG 20 CO 0.04 -0.21 0.53 -0.91 -1.07 0.00 0.00 179.97 178.36 1b9i h ASN 21 N -0.33 0.80 -0.37 7.04 2.35 -1.06 -2.57 115.58 121.43 1b9i h ASN 21 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1b9i h ASN 21 Cb 0.52 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1b9i h ASN 21 CO -0.56 0.52 0.20 1.23 -1.65 0.00 0.00 177.43 177.16 1b9i h GLY 22 N 0.91 0.56 0.89 2.83 0.00 -0.65 0.92 103.07 108.52 1b9i h GLY 22 Ca 0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1b9i h GLY 22 CO -0.12 0.25 0.04 1.41 0.00 0.00 0.00 176.54 178.12 1b9i h LEU 23 N 0.47 0.51 -0.21 3.11 4.07 -1.01 0.77 115.31 123.02 1b9i h LEU 23 Ca 0.13 -0.27 0.05 0.00 0.08 0.00 0.00 57.88 57.87 1b9i h LEU 23 Cb 0.08 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 1b9i h LEU 23 CO -0.02 0.65 -0.14 0.58 -1.08 0.00 0.00 178.44 178.43 1b9i h VAL 24 N 0.34 0.59 -0.85 1.22 2.07 -1.29 -0.51 116.25 117.83 1b9i h VAL 24 Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1b9i h VAL 24 Cb 0.37 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1b9i h VAL 24 CO 0.01 0.00 0.51 -0.09 0.02 0.00 0.00 177.57 178.02 1b9i h ARG 25 N -0.14 0.89 0.05 1.57 2.43 -0.46 0.50 114.38 119.23 1b9i h ARG 25 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1b9i h ARG 25 Cb 0.32 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1b9i h ARG 25 CO -0.29 0.59 -0.02 0.00 -1.51 0.00 0.00 179.97 178.73 1b9i h ALA 26 N 1.42 -0.07 -0.28 2.80 0.00 -0.69 -2.77 119.26 119.67 1b9i h ALA 26 Ca 0.38 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1b9i h ALA 26 Cb 0.23 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1b9i h ALA 26 CO -0.20 -0.40 -0.26 1.25 0.00 0.00 0.00 179.25 179.65 1b9i h LEU 27 N -0.34 -0.84 0.00 0.00 5.85 -0.50 -3.15 115.31 116.33 1b9i h LEU 27 Ca -0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1b9i h LEU 27 Cb 0.31 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1b9i h LEU 27 CO 0.01 -0.29 0.00 -0.62 -0.34 0.00 0.00 178.44 177.20 1b9i n GLU 28 N -5.39 0.71 0.26 1.25 1.02 0.12 -1.96 120.64 116.64 1b9i n GLU 28 Ca -0.00 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1b9i n GLU 28 Cb 0.30 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 30.91 1b9i n GLU 28 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1b9i h GLN 29 N 0.00 0.00 0.00 3.49 4.20 -1.44 -3.46 115.11 117.90 1b9i h GLN 29 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1b9i h GLN 29 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1b9i h GLN 29 CO 0.00 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.71 1b9i n GLY 30 N -0.57 0.22 2.94 3.46 0.00 -0.83 -4.96 105.19 105.44 1b9i n GLY 30 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1b9i n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b9i s GLN 31 N -1.13 1.39 0.00 1.61 -1.52 -1.26 -5.05 119.66 113.70 1b9i s GLN 31 Ca 0.00 -0.26 0.11 0.00 -1.95 0.00 0.00 55.36 53.26 1b9i s GLN 31 Cb 0.00 -1.32 0.06 0.00 -0.22 0.00 0.00 33.01 31.53 1b9i s GLN 31 CO 0.00 -0.11 0.79 0.91 -0.25 0.00 0.00 175.29 176.63 1b9i n TRP 32 N 4.31 0.00 -4.19 0.91 8.01 -1.26 -4.34 117.44 120.88 1b9i n TRP 32 Ca -0.19 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.78 1b9i n TRP 32 Cb 0.51 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.75 1b9i n TRP 32 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.69 178.35 1b9i s TRP 33 N -1.11 2.89 0.54 -5.99 1.48 -1.26 -1.32 118.94 114.17 1b9i s TRP 33 Ca 0.12 -0.18 0.20 0.00 -1.06 0.00 0.00 56.10 55.18 1b9i s TRP 33 Cb 0.09 -1.32 1.42 0.00 -1.16 0.00 0.00 33.47 32.50 1b9i s TRP 33 CO 0.19 0.55 2.18 0.07 -4.06 0.00 0.00 176.95 175.87 1b9i h ARG 34 N 1.67 0.00 0.00 3.25 0.11 -1.90 -1.84 114.38 115.68 1b9i h ARG 34 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1b9i h ARG 34 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1b9i h ARG 34 CO 0.61 0.00 0.00 0.52 0.10 0.00 0.00 179.97 181.20 1b9i h MET 35 N 0.00 0.00 0.00 0.08 2.86 -1.96 -3.26 114.93 112.65 1b9i h MET 35 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1b9i h MET 35 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1b9i h MET 35 CO -0.00 0.00 -1.38 0.41 1.06 0.00 0.00 176.91 177.00 1b9i n GLY 36 N -0.21 -0.39 0.00 8.32 0.00 -0.74 -5.04 105.19 107.12 1b9i n GLY 36 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1b9i n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9i n GLY 37 N 1.97 2.38 0.00 -0.02 0.00 -0.92 -4.75 105.19 103.85 1b9i n GLY 37 Ca -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1b9i n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b9i n ASP 38 N -2.01 0.40 0.15 1.61 2.03 -1.26 -4.75 116.55 112.71 1b9i n ASP 38 Ca 0.00 -0.75 -0.14 0.00 0.52 0.00 0.00 54.79 54.42 1b9i n ASP 38 Cb 0.00 0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1b9i n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1b9i h GLU 39 N 0.00 -0.33 -0.41 -0.67 4.39 -1.94 -0.66 114.58 114.96 1b9i h GLU 39 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1b9i h GLU 39 Cb 0.12 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1b9i h GLU 39 CO 0.00 -0.10 0.25 0.28 -1.16 0.00 0.00 179.01 178.27 1b9i h VAL 40 N -0.51 1.13 -0.11 3.13 2.07 -1.87 -0.30 116.25 119.79 1b9i h VAL 40 Ca -0.04 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1b9i h VAL 40 Cb 0.38 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1b9i h VAL 40 CO 0.06 0.13 -0.00 0.78 0.02 0.00 0.00 177.57 178.55 1b9i h ASN 41 N 0.54 -0.05 0.01 0.57 2.35 -1.83 0.26 115.58 117.42 1b9i h ASN 41 Ca 0.15 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1b9i h ASN 41 Cb -0.01 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1b9i h ASN 41 CO -0.03 -0.01 -0.00 0.28 -1.65 0.00 0.00 177.43 176.02 1b9i h SER 42 N 0.03 -0.01 -0.63 5.81 0.02 -1.08 -2.93 113.55 114.77 1b9i h SER 42 Ca 0.05 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1b9i h SER 42 Cb 0.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1b9i h SER 42 CO -0.09 0.01 0.30 0.15 -1.14 0.00 0.00 176.83 176.06 1b9i h PHE 43 N -0.02 0.53 -0.49 3.45 3.57 -0.87 -0.35 116.94 122.76 1b9i h PHE 43 Ca -0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1b9i h PHE 43 Cb 0.02 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1b9i h PHE 43 CO -0.07 0.20 0.22 0.93 -2.23 0.00 0.00 178.31 177.36 1b9i h GLU 44 N 0.53 0.42 -0.47 1.11 5.08 -0.77 0.20 114.58 120.67 1b9i h GLU 44 Ca 0.30 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1b9i h GLU 44 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1b9i h GLU 44 CO -0.25 0.28 -0.08 0.00 -1.00 0.00 0.00 179.01 177.96 1b9i h ARG 45 N 0.44 0.89 -0.37 2.33 3.08 -1.18 -1.08 114.38 118.49 1b9i h ARG 45 Ca 0.22 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1b9i h ARG 45 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1b9i h ARG 45 CO -0.18 0.97 0.16 0.93 -1.07 0.00 0.00 179.97 180.77 1b9i h GLU 46 N 0.74 0.54 0.04 0.04 5.08 -0.70 -1.64 114.58 118.67 1b9i h GLU 46 Ca 0.12 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1b9i h GLU 46 Cb 0.62 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1b9i h GLU 46 CO 0.04 0.51 -0.02 0.35 -1.00 0.00 0.00 179.01 178.89 1b9i h PHE 47 N 0.45 -0.05 -0.24 4.33 3.57 -0.49 -1.84 116.94 122.66 1b9i h PHE 47 Ca 0.12 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1b9i h PHE 47 Cb 0.16 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1b9i h PHE 47 CO -0.01 0.20 -0.08 0.00 -2.23 0.00 0.00 178.31 176.19 1b9i h ALA 48 N 0.65 0.14 -0.13 2.41 0.00 -1.20 -2.72 119.26 118.41 1b9i h ALA 48 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1b9i h ALA 48 Cb 0.27 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1b9i h ALA 48 CO 0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 179.25 178.68 1b9i h ALA 49 N 1.20 0.01 -0.51 0.00 0.00 -1.28 0.40 119.26 119.09 1b9i h ALA 49 Ca 0.12 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1b9i h ALA 49 Cb 0.21 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1b9i h ALA 49 CO -0.26 -0.54 0.38 1.25 0.00 0.00 0.00 179.25 180.08 1b9i h HIS 50 N -0.10 0.00 -0.49 0.00 6.17 -1.14 0.14 115.15 119.74 1b9i h HIS 50 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1b9i h HIS 50 Cb 0.22 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1b9i h HIS 50 CO -0.22 0.00 0.00 0.72 0.71 0.00 0.00 177.93 179.14 1b9i n HIS 51 N -4.28 0.64 -1.70 5.26 8.25 -0.95 -4.95 115.22 117.49 1b9i n HIS 51 Ca 0.09 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 57.01 1b9i n HIS 51 Cb 0.60 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.64 1b9i n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b9i n GLY 52 N 1.40 1.41 3.90 -1.41 0.00 0.50 -1.06 105.19 109.92 1b9i n GLY 52 Ca 0.20 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1b9i n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9i s ALA 53 N -2.74 3.59 0.15 4.61 0.00 0.13 -4.29 121.76 123.19 1b9i s ALA 53 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1b9i s ALA 53 Cb 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1b9i s ALA 53 CO 0.00 0.25 1.67 0.00 0.00 0.00 0.00 175.76 177.68 1b9i h ALA 54 N 1.75 0.63 -2.72 0.00 0.00 -1.21 -3.41 119.26 114.30 1b9i h ALA 54 Ca -0.47 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 1b9i h ALA 54 Cb 1.19 -0.19 -0.20 0.00 0.00 0.00 0.00 17.79 18.59 1b9i h ALA 54 CO 0.66 0.29 -0.53 -1.01 0.00 0.00 0.00 179.25 178.66 1b9i s HIS 55 N -5.41 0.13 0.06 0.00 0.09 -0.92 -5.00 115.29 104.24 1b9i s HIS 55 Ca -0.13 -0.33 0.06 0.00 -0.00 0.00 0.00 55.06 54.66 1b9i s HIS 55 Cb 0.11 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.58 32.56 1b9i s HIS 55 CO 0.78 -0.30 -0.18 0.00 -0.00 0.00 0.00 174.74 175.04 1b9i s ALA 56 N -1.86 1.49 -0.35 -1.40 0.00 -1.26 -0.09 121.76 118.28 1b9i s ALA 56 Ca -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1b9i s ALA 56 Cb -0.06 -0.24 0.11 0.00 0.00 0.00 0.00 23.12 22.93 1b9i s ALA 56 CO -0.01 0.30 0.10 -1.17 0.00 0.00 0.00 175.76 174.98 1b9i s LEU 57 N -1.36 3.69 0.26 0.00 2.96 0.74 -4.85 118.68 120.12 1b9i s LEU 57 Ca 0.04 -2.09 -0.30 0.00 -0.22 0.00 0.00 54.13 51.57 1b9i s LEU 57 Cb -0.09 -1.32 -0.10 0.00 0.50 0.00 0.00 46.19 45.19 1b9i s LEU 57 CO 0.02 -0.37 1.35 0.00 -1.32 0.00 0.00 176.35 176.03 1b9i s ALA 58 N 1.01 3.55 0.23 5.97 0.00 -1.26 -1.20 121.76 130.05 1b9i s ALA 58 Ca 0.12 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1b9i s ALA 58 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1b9i s ALA 58 CO -0.13 -0.64 0.17 0.14 0.00 0.00 0.00 175.76 175.31 1b9i s VAL 59 N -0.38 0.00 0.25 0.00 -7.23 -0.60 -4.33 120.40 108.11 1b9i s VAL 59 Ca 0.55 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1b9i s VAL 59 Cb -0.39 -2.50 0.23 0.00 0.56 0.00 0.00 36.38 34.28 1b9i s VAL 59 CO 0.45 0.00 1.84 0.71 -0.31 0.00 0.00 175.10 177.79 1b9i h THR 60 N 2.51 1.00 -2.78 5.32 1.35 -1.06 -0.69 112.91 118.56 1b9i h THR 60 Ca -0.33 -0.33 0.09 0.00 -0.55 0.00 0.00 66.41 65.28 1b9i h THR 60 Cb 1.25 -0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 1b9i h THR 60 CO 0.49 0.18 0.35 0.54 -0.25 0.00 0.00 175.52 176.82 1b9i s ASN 61 N -5.74 -0.14 0.43 5.36 2.20 -1.26 -2.29 114.94 113.49 1b9i s ASN 61 Ca -0.12 -0.70 0.20 0.00 -0.94 0.00 0.00 52.86 51.30 1b9i s ASN 61 Cb 0.19 0.67 0.97 0.00 -2.00 0.00 0.00 41.25 41.09 1b9i s ASN 61 CO 0.79 -1.28 1.89 1.23 -2.94 0.00 0.00 177.10 176.79 1b9i h GLY 62 N 2.00 0.00 1.17 0.45 0.00 -1.68 -1.02 103.07 103.99 1b9i h GLY 62 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1b9i h GLY 62 CO 0.29 0.00 -0.53 -0.84 0.00 0.00 0.00 176.54 175.47 1b9i h THR 63 N 0.00 1.27 0.00 4.70 2.02 -1.92 -1.49 112.91 117.49 1b9i h THR 63 Ca -0.00 -1.71 -0.15 0.00 0.77 0.00 0.00 66.41 65.32 1b9i h THR 63 Cb 0.62 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1b9i h THR 63 CO 0.04 0.56 -0.70 0.45 0.37 0.00 0.00 175.52 176.24 1b9i h HIS 64 N 0.67 0.00 -0.99 3.16 3.86 -1.86 -0.97 115.15 119.03 1b9i h HIS 64 Ca 0.02 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1b9i h HIS 64 Cb 1.13 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 1b9i h HIS 64 CO 0.07 0.70 0.65 0.00 0.86 0.00 0.00 177.93 180.21 1b9i h ALA 65 N 1.30 1.25 -0.22 2.45 0.00 -0.97 0.20 119.26 123.27 1b9i h ALA 65 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1b9i h ALA 65 Cb 1.24 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1b9i h ALA 65 CO 0.09 0.65 0.09 -0.07 0.00 0.00 0.00 179.25 180.00 1b9i h LEU 66 N 1.34 0.31 -0.77 0.00 3.38 -0.77 0.07 115.31 118.86 1b9i h LEU 66 Ca 0.36 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1b9i h LEU 66 Cb -0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1b9i h LEU 66 CO -0.08 0.39 0.47 -0.33 0.09 0.00 0.00 178.44 178.98 1b9i h GLU 67 N 0.20 0.84 -0.05 1.13 5.08 -0.79 0.23 114.58 121.21 1b9i h GLU 67 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1b9i h GLU 67 Cb 0.18 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1b9i h GLU 67 CO -0.01 0.55 -0.00 1.25 -1.00 0.00 0.00 179.01 179.81 1b9i h LEU 68 N 0.86 0.10 -0.18 1.33 5.85 -0.42 -1.74 115.31 121.10 1b9i h LEU 68 Ca 0.34 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1b9i h LEU 68 Cb 0.15 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1b9i h LEU 68 CO -0.17 0.39 0.01 0.00 -0.34 0.00 0.00 178.44 178.34 1b9i h ALA 69 N 0.71 0.17 -0.23 1.25 0.00 -0.79 -0.45 119.26 119.93 1b9i h ALA 69 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1b9i h ALA 69 Cb 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1b9i h ALA 69 CO 0.00 -0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 178.69 1b9i h LEU 70 N 0.08 -0.24 -0.15 0.00 3.38 -0.99 -0.55 115.31 116.83 1b9i h LEU 70 Ca 0.09 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1b9i h LEU 70 Cb 0.10 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1b9i h LEU 70 CO -0.13 -0.09 -0.10 -0.61 0.09 0.00 0.00 178.44 177.60 1b9i h GLN 71 N -0.02 -0.09 0.00 1.13 4.15 -0.98 0.22 115.11 119.52 1b9i h GLN 71 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1b9i h GLN 71 Cb 0.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1b9i h GLN 71 CO -0.24 -0.06 0.00 -0.39 -1.93 0.00 0.00 178.83 176.21 1b9i h VAL 72 N -0.09 0.00 -0.27 2.39 -1.51 -0.72 -2.18 116.25 113.86 1b9i h VAL 72 Ca 0.09 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1b9i h VAL 72 Cb 0.23 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1b9i h VAL 72 CO -0.21 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.36 1b9i n MET 73 N -2.56 2.78 -1.21 5.19 2.81 -0.25 -4.89 117.12 118.99 1b9i n MET 73 Ca 0.02 -1.47 -0.01 0.00 -1.81 0.00 0.00 57.70 54.43 1b9i n MET 73 Cb 0.26 -1.83 -0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1b9i n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b9i n GLY 74 N 0.34 0.45 3.75 3.03 0.00 -0.82 -4.88 105.19 107.06 1b9i n GLY 74 Ca 0.13 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 1b9i n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9i s VAL 75 N -2.05 3.94 -0.03 1.61 1.01 0.70 -4.96 120.40 120.62 1b9i s VAL 75 Ca 0.00 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1b9i s VAL 75 Cb 0.00 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.19 1b9i s VAL 75 CO 0.00 0.46 0.75 0.61 0.00 0.00 0.00 175.10 176.92 1b9i n GLY 76 N 1.41 0.33 3.65 4.51 0.00 -1.26 -4.55 105.19 109.27 1b9i n GLY 76 Ca -0.02 -0.94 -0.46 0.00 0.00 0.00 0.00 46.02 44.60 1b9i n GLY 76 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b9i n PRO 77 N -0.54 1.89 0.00 1.61 -0.02 -1.21 -0.97 135.00 135.76 1b9i n PRO 77 Ca 0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1b9i n PRO 77 Cb 0.33 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1b9i n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b9i n GLY 78 N 2.33 0.62 3.76 -1.23 0.00 -1.26 -4.96 105.19 104.45 1b9i n GLY 78 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1b9i n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b9i s THR 79 N -2.17 2.62 0.04 2.61 -4.23 -0.15 -4.86 115.64 109.49 1b9i s THR 79 Ca 0.00 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1b9i s THR 79 Cb 0.00 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1b9i s THR 79 CO 0.00 -0.07 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.16 1b9i s GLU 80 N -3.92 1.67 -0.12 3.99 2.02 -0.76 -0.98 118.70 120.60 1b9i s GLU 80 Ca 0.41 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1b9i s GLU 80 Cb 0.00 -1.81 0.02 0.00 0.10 0.00 0.00 34.13 32.44 1b9i s GLU 80 CO 0.23 0.47 -0.15 0.08 0.02 0.00 0.00 175.26 175.91 1b9i s VAL 81 N -0.78 1.56 -0.13 2.63 1.01 0.03 -0.75 120.40 123.97 1b9i s VAL 81 Ca 0.10 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1b9i s VAL 81 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1b9i s VAL 81 CO 0.02 0.45 0.81 -0.63 0.00 0.00 0.00 175.10 175.75 1b9i s ILE 82 N 1.15 4.92 0.09 2.22 1.01 -0.73 -0.44 121.20 129.42 1b9i s ILE 82 Ca -0.03 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1b9i s ILE 82 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1b9i s ILE 82 CO -0.05 0.10 -0.07 0.68 0.00 0.00 0.00 174.94 175.60 1b9i s VAL 83 N 1.71 0.67 0.35 2.92 -7.23 -0.84 -0.81 120.40 117.17 1b9i s VAL 83 Ca 0.39 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.45 1b9i s VAL 83 Cb -0.17 -1.55 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 1b9i s VAL 83 CO 0.15 -0.81 1.30 -2.16 -0.31 0.00 0.00 175.10 173.26 1b9i s PRO 84 N -3.55 4.25 0.46 4.82 0.04 -1.26 -1.29 135.00 138.47 1b9i s PRO 84 Ca 0.09 2.18 0.26 0.00 0.04 0.00 0.00 61.00 63.57 1b9i s PRO 84 Cb 0.03 -2.98 0.65 0.00 0.04 0.00 0.00 34.50 32.25 1b9i s PRO 84 CO -0.04 -0.26 1.72 0.00 0.04 0.00 0.00 177.00 178.46 1b9i h ALA 85 N 3.18 1.00 -2.42 8.56 0.00 -1.20 -3.39 119.26 125.00 1b9i h ALA 85 Ca -0.49 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.69 1b9i h ALA 85 Cb 1.23 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.80 1b9i h ALA 85 CO 0.65 0.00 -0.39 0.12 0.00 0.00 0.00 179.25 179.63 1b9i s PHE 86 N -3.33 3.24 0.00 0.00 5.36 -1.26 -1.36 117.98 120.63 1b9i s PHE 86 Ca 0.06 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.27 1b9i s PHE 86 Cb 0.06 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 1b9i s PHE 86 CO 0.63 -0.69 0.00 -2.37 -1.46 0.00 0.00 175.22 171.33 1b9i n THR 87 N 5.18 0.00 -2.34 0.12 5.66 -1.26 -4.98 114.28 116.66 1b9i n THR 87 Ca -0.12 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 1b9i n THR 87 Cb 0.45 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.21 1b9i n THR 87 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1b9i s PHE 88 N -2.00 3.10 0.57 1.09 5.36 -1.26 -4.65 117.98 120.18 1b9i s PHE 88 Ca 0.00 1.57 0.27 0.00 -0.96 0.00 0.00 56.93 57.81 1b9i s PHE 88 Cb 0.00 -3.34 1.56 0.00 -0.34 0.00 0.00 43.02 40.90 1b9i s PHE 88 CO 0.00 -1.20 2.07 0.97 -1.46 0.00 0.00 175.22 175.60 1b9i h ILE 89 N 2.27 0.56 -0.66 3.12 6.09 -2.00 -2.43 117.51 124.46 1b9i h ILE 89 Ca -0.49 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.15 1b9i h ILE 89 Cb 1.23 0.82 -0.04 0.00 0.47 0.00 0.00 36.82 39.30 1b9i h ILE 89 CO 0.62 0.00 0.45 0.28 -3.07 0.00 0.00 178.15 176.43 1b9i h SER 90 N 0.00 0.25 -0.97 2.19 0.02 -1.97 0.17 113.55 113.24 1b9i h SER 90 Ca 0.12 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1b9i h SER 90 Cb 0.60 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1b9i h SER 90 CO -0.00 0.13 0.62 0.28 -1.14 0.00 0.00 176.83 176.73 1b9i h SER 91 N 0.27 1.00 0.24 3.07 0.02 -1.82 0.34 113.55 116.67 1b9i h SER 91 Ca 0.32 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.94 1b9i h SER 91 Cb 0.87 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1b9i h SER 91 CO -0.07 0.64 -2.02 -1.54 -1.14 0.00 0.00 176.83 172.70 1b9i n SER 92 N -4.52 1.02 -0.26 3.07 3.41 -0.18 -4.22 113.62 111.94 1b9i n SER 92 Ca 0.14 0.21 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 1b9i n SER 92 Cb 0.17 0.01 0.32 0.00 -0.26 0.00 0.00 64.21 64.44 1b9i n SER 92 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1b9i h GLN 93 N 0.01 0.82 -0.68 4.33 4.15 -0.42 0.99 115.11 124.31 1b9i h GLN 93 Ca -0.41 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 58.98 1b9i h GLN 93 Cb 2.07 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 29.53 1b9i h GLN 93 CO 0.05 0.54 0.43 0.00 -1.93 0.00 0.00 178.83 177.92 1b9i h ALA 94 N 1.57 0.88 -0.47 3.38 0.00 -1.11 0.12 119.26 123.63 1b9i h ALA 94 Ca 0.39 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1b9i h ALA 94 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1b9i h ALA 94 CO -0.15 0.22 -0.18 0.00 0.00 0.00 0.00 179.25 179.14 1b9i h ALA 95 N 1.28 0.65 -0.72 0.00 0.00 -1.05 -3.03 119.26 116.39 1b9i h ALA 95 Ca 0.26 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1b9i h ALA 95 Cb -0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 1b9i h ALA 95 CO -0.09 0.61 0.37 0.37 0.00 0.00 0.00 179.25 180.51 1b9i h GLN 96 N 0.79 0.61 0.00 0.00 4.15 -0.56 -1.66 115.11 118.44 1b9i h GLN 96 Ca 0.11 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1b9i h GLN 96 Cb 0.75 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1b9i h GLN 96 CO 0.06 0.41 -0.08 -0.09 -1.93 0.00 0.00 178.83 177.19 1b9i h ARG 97 N 0.63 0.00 -0.03 1.69 9.65 -0.65 -0.41 114.38 125.26 1b9i h ARG 97 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1b9i h ARG 97 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1b9i h ARG 97 CO -0.25 0.08 0.00 1.28 2.80 0.00 0.00 179.97 183.88 1b9i n LEU 98 N -4.43 0.74 0.00 3.80 4.77 -0.66 -4.91 117.00 116.32 1b9i n LEU 98 Ca -0.03 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1b9i n LEU 98 Cb 0.16 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1b9i n LEU 98 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1b9i n GLY 99 N 1.04 0.60 4.00 -0.72 0.00 -0.16 -3.49 105.19 106.46 1b9i n GLY 99 Ca 0.19 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1b9i n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9i s ALA 100 N -2.00 3.93 -0.22 4.61 0.00 -1.01 -3.29 121.76 123.78 1b9i s ALA 100 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 51.96 50.15 1b9i s ALA 100 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1b9i s ALA 100 CO 0.00 -1.20 0.08 0.08 0.00 0.00 0.00 175.76 174.71 1b9i s VAL 101 N -2.97 4.63 -0.06 0.00 1.01 -0.15 -4.28 120.40 118.57 1b9i s VAL 101 Ca 0.64 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.31 1b9i s VAL 101 Cb -0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1b9i s VAL 101 CO 0.42 0.39 0.68 -0.89 0.00 0.00 0.00 175.10 175.70 1b9i s THR 102 N 0.99 5.03 -0.36 3.92 2.01 -1.19 -0.79 115.64 125.25 1b9i s THR 102 Ca 0.04 1.41 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1b9i s THR 102 Cb -0.14 -4.02 0.09 0.00 0.01 0.00 0.00 72.50 68.44 1b9i s THR 102 CO 0.03 0.27 0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 1b9i s VAL 103 N 0.67 2.91 0.24 3.82 1.01 0.41 -4.39 120.40 125.07 1b9i s VAL 103 Ca 0.36 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.09 1b9i s VAL 103 Cb -0.18 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1b9i s VAL 103 CO 0.18 -0.50 1.10 -2.16 0.00 0.00 0.00 175.10 173.72 1b9i s PRO 104 N 1.10 4.62 0.13 2.72 0.04 -1.26 -2.00 135.00 140.36 1b9i s PRO 104 Ca 0.05 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1b9i s PRO 104 Cb -0.21 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1b9i s PRO 104 CO -0.04 0.15 -0.15 0.08 0.04 0.00 0.00 177.00 177.07 1b9i s VAL 105 N -0.76 1.47 0.90 -0.36 1.01 -0.41 -4.83 120.40 117.41 1b9i s VAL 105 Ca 0.47 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 1b9i s VAL 105 Cb -0.31 -1.63 0.13 0.00 0.00 0.00 0.00 36.38 34.58 1b9i s VAL 105 CO 0.38 -0.39 1.09 -0.62 0.00 0.00 0.00 175.10 175.56 1b9i s ASP 106 N -2.53 3.29 0.30 3.32 -1.08 -1.26 -0.68 116.67 118.03 1b9i s ASP 106 Ca 0.11 1.70 0.08 0.00 -0.52 0.00 0.00 52.55 53.93 1b9i s ASP 106 Cb -0.05 -2.34 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 1b9i s ASP 106 CO 0.04 -2.78 -0.09 0.68 0.52 0.00 0.00 175.17 173.53 1b9i s VAL 107 N -2.82 1.96 0.49 1.11 -7.23 -1.26 -0.72 120.40 111.92 1b9i s VAL 107 Ca 0.64 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 1b9i s VAL 107 Cb -0.20 -2.48 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1b9i s VAL 107 CO 0.58 -0.29 1.41 -0.62 -0.31 0.00 0.00 175.10 175.87 1b9i s ASP 108 N -3.50 5.64 0.42 4.85 2.15 0.25 -4.63 116.67 121.85 1b9i s ASP 108 Ca 0.30 2.88 0.22 0.00 0.43 0.00 0.00 52.55 56.38 1b9i s ASP 108 Cb 0.02 -2.65 0.89 0.00 -0.30 0.00 0.00 42.92 40.88 1b9i s ASP 108 CO 0.14 -1.34 1.82 0.00 -0.17 0.00 0.00 175.17 175.62 1b9i h ALA 109 N 2.00 1.06 0.00 3.66 0.00 -1.96 -2.05 119.26 121.98 1b9i h ALA 109 Ca -0.51 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 53.87 1b9i h ALA 109 Cb 1.28 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1b9i h ALA 109 CO 0.60 0.35 -2.02 0.00 0.00 0.00 0.00 179.25 178.17 1b9i n ALA 110 N -2.27 1.66 0.04 0.00 0.00 -1.26 -4.69 120.51 113.98 1b9i n ALA 110 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 1b9i n ALA 110 Cb 0.43 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1b9i n ALA 110 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b9i h THR 111 N -0.19 1.10 -0.32 0.00 1.35 -1.80 1.12 112.91 114.18 1b9i h THR 111 Ca -0.42 -2.79 -0.07 0.00 -0.55 0.00 0.00 66.41 62.58 1b9i h THR 111 Cb 1.56 2.51 -0.02 0.00 -1.73 0.00 0.00 68.15 70.47 1b9i h THR 111 CO -0.13 0.63 -0.08 -1.22 -0.25 0.00 0.00 175.52 174.47 1b9i n TYR 112 N -3.15 -0.07 -3.18 4.73 4.01 -0.77 -4.75 117.16 113.98 1b9i n TYR 112 Ca -0.07 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.40 1b9i n TYR 112 Cb 0.94 -1.23 -0.02 0.00 -0.31 0.00 0.00 39.34 38.73 1b9i n TYR 112 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1b9i s ASN 113 N -2.91 6.35 0.16 7.72 0.01 -1.26 -4.65 114.94 120.36 1b9i s ASN 113 Ca 0.00 0.68 -0.34 0.00 -0.71 0.00 0.00 52.86 52.50 1b9i s ASN 113 Cb 0.00 -2.13 -0.15 0.00 0.41 0.00 0.00 41.25 39.37 1b9i s ASN 113 CO 0.00 -0.32 1.30 -0.11 -1.51 0.00 0.00 177.10 176.46 1b9i n LEU 114 N -1.55 2.04 -4.67 0.60 7.94 -1.26 -0.58 117.00 119.52 1b9i n LEU 114 Ca -0.02 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.60 1b9i n LEU 114 Cb 0.55 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.18 1b9i n LEU 114 CO 0.49 -0.96 0.53 -0.62 -1.11 0.00 0.00 177.39 175.72 1b9i s ASP 115 N 0.29 6.86 0.27 1.96 2.15 0.10 -4.67 116.67 123.63 1b9i s ASP 115 Ca 0.76 1.06 -0.04 0.00 0.43 0.00 0.00 52.55 54.76 1b9i s ASP 115 Cb -0.82 -2.42 0.36 0.00 -0.30 0.00 0.00 42.92 39.74 1b9i s ASP 115 CO 0.49 -0.35 1.91 -0.65 -0.17 0.00 0.00 175.17 176.40 1b9i h PRO 116 N 7.37 1.21 -0.43 4.34 0.11 -1.89 0.22 132.00 142.92 1b9i h PRO 116 Ca -0.30 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1b9i h PRO 116 Cb 1.14 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1b9i h PRO 116 CO 0.81 0.80 -0.20 0.93 -0.21 0.00 0.00 178.00 180.13 1b9i h GLU 117 N 1.24 0.90 -0.66 1.05 5.08 -1.97 0.19 114.58 120.41 1b9i h GLU 117 Ca 0.39 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1b9i h GLU 117 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1b9i h GLU 117 CO -0.12 1.04 0.38 0.00 -1.00 0.00 0.00 179.01 179.31 1b9i h ALA 118 N 0.83 1.43 -0.16 3.43 0.00 -1.75 -1.70 119.26 121.34 1b9i h ALA 118 Ca 0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1b9i h ALA 118 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b9i h ALA 118 CO 0.06 0.48 -0.46 -0.39 0.00 0.00 0.00 179.25 178.95 1b9i h VAL 119 N 0.91 1.34 -0.90 0.00 -1.51 0.13 -2.80 116.25 113.42 1b9i h VAL 119 Ca 0.24 -1.72 0.23 0.00 -1.23 0.00 0.00 66.70 64.21 1b9i h VAL 119 Cb -0.01 2.00 -0.13 0.00 -2.13 0.00 0.00 31.29 31.03 1b9i h VAL 119 CO -0.04 0.53 0.40 0.00 -1.23 0.00 0.00 177.57 177.22 1b9i h ALA 120 N 0.55 1.46 0.00 5.19 0.00 -0.20 0.29 119.26 126.56 1b9i h ALA 120 Ca -0.01 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1b9i h ALA 120 Cb 1.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1b9i h ALA 120 CO 0.10 -0.36 -0.35 0.00 0.00 0.00 0.00 179.25 178.64 1b9i h ALA 121 N 1.73 1.25 -0.00 0.00 0.00 -1.21 -2.92 119.26 118.10 1b9i h ALA 121 Ca 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1b9i h ALA 121 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1b9i h ALA 121 CO -0.54 0.43 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 1b9i n ALA 122 N -2.39 3.31 -1.72 0.00 0.00 0.98 -4.90 120.51 115.79 1b9i n ALA 122 Ca -0.01 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 1b9i n ALA 122 Cb 0.42 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.76 1b9i n ALA 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b9i n VAL 123 N -1.36 4.47 -3.96 0.00 0.31 -0.85 -4.99 118.33 111.96 1b9i n VAL 123 Ca 0.07 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 1b9i n VAL 123 Cb 0.33 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 1b9i n VAL 123 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1b9i s THR 124 N -1.37 0.01 0.28 2.52 2.01 -1.26 -5.01 115.64 112.82 1b9i s THR 124 Ca 0.79 -1.31 0.37 0.00 0.31 0.00 0.00 61.69 61.84 1b9i s THR 124 Cb -0.40 -2.08 0.40 0.00 0.01 0.00 0.00 72.50 70.44 1b9i s THR 124 CO 0.44 -0.05 2.11 -0.65 -0.69 0.00 0.00 174.62 175.78 1b9i h PRO 125 N 2.27 0.00 0.00 4.92 0.11 -2.02 -0.77 132.00 136.52 1b9i h PRO 125 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1b9i h PRO 125 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1b9i h PRO 125 CO 0.37 0.00 -0.65 0.54 -0.21 0.00 0.00 178.00 178.04 1b9i n ARG 126 N -3.02 0.21 -1.76 1.05 1.74 -1.26 -4.92 116.66 108.70 1b9i n ARG 126 Ca -0.01 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1b9i n ARG 126 Cb 0.21 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1b9i n ARG 126 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1b9i s THR 127 N -3.13 3.15 -0.18 0.55 2.01 -0.30 -1.83 115.64 115.92 1b9i s THR 127 Ca 0.07 0.21 0.14 0.00 0.31 0.00 0.00 61.69 62.42 1b9i s THR 127 Cb 0.15 -3.13 -0.21 0.00 0.01 0.00 0.00 72.50 69.31 1b9i s THR 127 CO 0.73 -0.02 0.04 1.17 -0.69 0.00 0.00 174.62 175.85 1b9i n LYS 128 N 7.34 1.07 -3.89 4.92 3.00 0.07 -4.87 118.16 125.81 1b9i n LYS 128 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 1b9i n LYS 128 Cb 0.41 -1.45 -0.11 0.00 0.00 0.00 0.00 35.03 33.88 1b9i n LYS 128 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1b9i s VAL 129 N -2.43 0.06 -0.16 3.15 1.01 -1.25 -4.04 120.40 116.74 1b9i s VAL 129 Ca -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1b9i s VAL 129 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 1b9i s VAL 129 CO 0.71 -0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 1b9i s ILE 130 N -0.92 2.78 -0.63 2.22 1.01 -0.49 -1.78 121.20 123.39 1b9i s ILE 130 Ca -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1b9i s ILE 130 Cb -0.06 -2.18 0.16 0.00 0.01 0.00 0.00 42.46 40.39 1b9i s ILE 130 CO 0.00 0.51 0.44 -0.32 0.00 0.00 0.00 174.94 175.57 1b9i s MET 131 N 0.84 2.51 0.71 2.79 1.75 0.01 -0.70 119.30 127.20 1b9i s MET 131 Ca -0.04 -2.66 -0.16 0.00 -1.25 0.00 0.00 55.69 51.58 1b9i s MET 131 Cb -0.15 -3.66 0.03 0.00 2.84 0.00 0.00 34.83 33.89 1b9i s MET 131 CO -0.00 -1.17 1.23 -1.25 -0.65 0.00 0.00 175.02 173.17 1b9i s PRO 132 N -0.29 2.25 -0.08 4.11 0.04 -1.20 -4.24 135.00 135.59 1b9i s PRO 132 Ca 0.18 1.84 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1b9i s PRO 132 Cb -0.20 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1b9i s PRO 132 CO -0.04 -1.77 -0.24 0.08 0.04 0.00 0.00 177.00 175.07 1b9i s VAL 133 N -1.83 2.08 -0.81 -0.36 1.01 -1.26 -0.61 120.40 118.62 1b9i s VAL 133 Ca 0.76 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1b9i s VAL 133 Cb -0.31 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.43 1b9i s VAL 133 CO 0.43 0.57 0.97 -1.00 0.00 0.00 0.00 175.10 176.06 1b9i s HIS 134 N 0.06 3.13 0.04 5.22 3.76 -1.15 -4.54 115.29 121.82 1b9i s HIS 134 Ca -0.10 -1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 53.22 1b9i s HIS 134 Cb -0.16 -4.16 -0.09 0.00 1.11 0.00 0.00 32.58 29.29 1b9i s HIS 134 CO 0.06 -1.40 1.95 1.41 -0.85 0.00 0.00 174.74 175.91 1b9i s MET 135 N 2.49 4.14 -1.50 1.40 1.75 -1.14 -1.89 119.30 124.55 1b9i s MET 135 Ca 0.25 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 57.28 1b9i s MET 135 Cb -0.11 -4.11 0.00 0.00 2.84 0.00 0.00 34.83 33.45 1b9i s MET 135 CO -0.04 -0.94 0.00 0.00 -0.65 0.00 0.00 175.02 173.39 1b9i n ALA 136 N 7.38 -0.43 0.00 4.11 0.00 -1.26 -1.72 120.51 128.60 1b9i n ALA 136 Ca 0.20 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1b9i n ALA 136 Cb 0.41 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1b9i n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9i n GLY 137 N -0.52 1.50 3.58 0.00 0.00 -0.79 -1.24 105.19 107.72 1b9i n GLY 137 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1b9i n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b9i s LEU 138 N 0.00 4.21 0.73 0.99 2.96 -0.70 -2.05 118.68 124.83 1b9i s LEU 138 Ca 0.00 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.97 1b9i s LEU 138 Cb 0.00 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.84 1b9i s LEU 138 CO 0.00 -0.65 1.06 0.23 -1.32 0.00 0.00 176.35 175.68 1b9i n MET 139 N 6.18 0.51 -1.93 1.98 2.81 -1.26 -2.90 117.12 122.51 1b9i n MET 139 Ca 0.00 0.24 -0.29 0.00 -1.81 0.00 0.00 57.70 55.84 1b9i n MET 139 Cb 0.48 -2.31 0.09 0.00 -0.71 0.00 0.00 33.22 30.77 1b9i n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b9i s ALA 140 N -1.83 2.71 -1.09 3.04 0.00 -1.26 -4.90 121.76 118.42 1b9i s ALA 140 Ca 0.75 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 1b9i s ALA 140 Cb -0.34 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1b9i s ALA 140 CO 0.49 -1.63 1.86 0.34 0.00 0.00 0.00 175.76 176.82 1b9i s ASP 141 N -4.57 5.45 0.47 0.00 -1.08 -1.26 -4.75 116.67 110.93 1b9i s ASP 141 Ca 0.62 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 51.52 1b9i s ASP 141 Cb -0.11 -2.58 0.99 0.00 -1.46 0.00 0.00 42.92 39.77 1b9i s ASP 141 CO 0.49 -2.56 1.83 0.24 0.52 0.00 0.00 175.17 175.69 1b9i h MET 142 N 9.97 0.00 0.09 4.34 2.86 -1.98 0.18 114.93 130.40 1b9i h MET 142 Ca 0.21 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1b9i h MET 142 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1b9i h MET 142 CO 1.27 0.00 -0.04 -0.44 1.06 0.00 0.00 176.91 178.76 1b9i h ASP 143 N 0.00 -0.10 -0.69 1.22 3.32 -1.99 0.58 116.42 118.77 1b9i h ASP 143 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1b9i h ASP 143 Cb 0.65 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1b9i h ASP 143 CO 0.00 0.40 0.22 0.00 -1.72 0.00 0.00 179.24 178.14 1b9i h ALA 144 N 0.19 0.90 -0.31 3.45 0.00 -1.94 0.26 119.26 121.80 1b9i h ALA 144 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1b9i h ALA 144 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b9i h ALA 144 CO 0.02 0.57 -0.00 -0.07 0.00 0.00 0.00 179.25 179.76 1b9i h LEU 145 N 1.00 0.55 -1.36 0.00 4.07 -0.97 -1.36 115.31 117.24 1b9i h LEU 145 Ca 0.22 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.89 1b9i h LEU 145 Cb 0.29 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1b9i h LEU 145 CO -0.01 0.73 0.44 0.00 -1.08 0.00 0.00 178.44 178.52 1b9i h ALA 146 N 0.84 1.57 -0.31 1.53 0.00 0.11 -0.55 119.26 122.44 1b9i h ALA 146 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1b9i h ALA 146 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1b9i h ALA 146 CO 0.02 0.38 0.10 -0.22 0.00 0.00 0.00 179.25 179.53 1b9i h LYS 147 N 0.86 0.48 -0.64 0.00 1.63 -0.00 -1.07 116.57 117.83 1b9i h LYS 147 Ca 0.26 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1b9i h LYS 147 Cb -0.02 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1b9i h LYS 147 CO -0.06 0.52 0.42 0.82 -3.45 0.00 0.00 179.45 177.70 1b9i h ILE 148 N 0.35 1.16 -0.47 2.00 2.04 -0.56 -1.37 117.51 120.67 1b9i h ILE 148 Ca 0.10 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1b9i h ILE 148 Cb 0.24 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1b9i h ILE 148 CO -0.00 0.16 0.15 -1.28 0.00 0.00 0.00 178.15 177.17 1b9i h SER 149 N 0.86 0.13 -0.23 1.72 0.87 -0.26 0.19 113.55 116.83 1b9i h SER 149 Ca 0.23 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1b9i h SER 149 Cb -0.10 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1b9i h SER 149 CO -0.05 0.10 -0.21 0.00 -0.53 0.00 0.00 176.83 176.14 1b9i h ALA 150 N 1.32 0.33 -0.51 6.23 0.00 -0.20 0.70 119.26 127.14 1b9i h ALA 150 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b9i h ALA 150 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1b9i h ALA 150 CO -0.25 0.28 0.31 -0.44 0.00 0.00 0.00 179.25 179.14 1b9i h ASP 151 N 0.24 0.61 0.76 0.00 5.19 -1.01 -2.81 116.42 119.40 1b9i h ASP 151 Ca 0.04 -0.06 -0.21 0.00 -0.62 0.00 0.00 57.03 56.18 1b9i h ASP 151 Cb 0.75 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 1b9i h ASP 151 CO 0.05 0.49 -1.36 0.71 -3.12 0.00 0.00 179.24 176.01 1b9i h THR 152 N 0.68 0.82 0.00 0.35 1.35 -0.62 -3.48 112.91 112.01 1b9i h THR 152 Ca 0.18 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1b9i h THR 152 Cb -0.01 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1b9i h THR 152 CO -0.03 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1b9i n GLY 153 N 1.43 0.60 3.55 5.82 0.00 0.24 -5.02 105.19 111.81 1b9i n GLY 153 Ca -0.10 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1b9i n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9i s VAL 154 N -2.00 5.04 0.71 1.61 1.01 -1.10 -5.01 120.40 120.66 1b9i s VAL 154 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1b9i s VAL 154 Cb 0.00 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1b9i s VAL 154 CO 0.00 -0.23 1.24 -2.84 0.00 0.00 0.00 175.10 173.27 1b9i s PRO 155 N 2.32 2.22 0.13 2.72 0.02 -1.26 -4.46 135.00 136.69 1b9i s PRO 155 Ca 0.17 1.88 -0.02 0.00 0.02 0.00 0.00 61.00 63.05 1b9i s PRO 155 Cb -0.16 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1b9i s PRO 155 CO 0.13 -1.80 0.32 -0.51 -0.33 0.00 0.00 177.00 174.81 1b9i s LEU 156 N -4.93 4.29 -0.10 -5.54 1.43 -1.26 -1.39 118.68 111.18 1b9i s LEU 156 Ca 0.77 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1b9i s LEU 156 Cb -0.32 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1b9i s LEU 156 CO 0.44 0.07 -0.05 -0.22 0.23 0.00 0.00 176.35 176.82 1b9i s LEU 157 N -2.77 0.98 -0.21 1.79 2.96 0.12 -4.20 118.68 117.35 1b9i s LEU 157 Ca 0.38 -0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.81 1b9i s LEU 157 Cb -0.12 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1b9i s LEU 157 CO 0.27 -0.15 0.80 -1.10 -1.32 0.00 0.00 176.35 174.85 1b9i s GLN 158 N 1.80 4.23 -0.81 1.98 -0.21 -0.52 -3.23 119.66 122.90 1b9i s GLN 158 Ca 0.05 0.92 -0.20 0.00 0.02 0.00 0.00 55.36 56.15 1b9i s GLN 158 Cb -0.13 -3.61 0.11 0.00 1.00 0.00 0.00 33.01 30.38 1b9i s GLN 158 CO -0.07 -0.41 1.04 0.34 -2.12 0.00 0.00 175.29 174.07 1b9i s ASP 159 N 1.26 6.44 -0.38 5.90 2.15 0.22 -1.04 116.67 131.22 1b9i s ASP 159 Ca 0.35 -1.64 0.02 0.00 0.43 0.00 0.00 52.55 51.71 1b9i s ASP 159 Cb -0.16 -2.40 0.47 0.00 -0.30 0.00 0.00 42.92 40.53 1b9i s ASP 159 CO 0.10 -1.20 1.78 0.00 -0.17 0.00 0.00 175.17 175.67 1b9i n ALA 160 N 6.94 5.08 0.05 3.66 0.00 -0.01 -2.93 120.51 133.30 1b9i n ALA 160 Ca 0.12 -2.30 0.11 0.00 0.00 0.00 0.00 53.44 51.37 1b9i n ALA 160 Cb 0.47 -1.40 0.57 0.00 0.00 0.00 0.00 19.45 19.09 1b9i n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b9i h ALA 161 N 1.37 2.06 -0.01 0.00 0.00 -1.86 -1.61 119.26 119.20 1b9i h ALA 161 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1b9i h ALA 161 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1b9i h ALA 161 CO 0.93 -0.13 -0.36 0.72 0.00 0.00 0.00 179.25 180.41 1b9i n HIS 162 N -4.47 0.00 -2.19 0.00 8.25 -1.26 -4.45 115.22 111.09 1b9i n HIS 162 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.23 1b9i n HIS 162 Cb 0.28 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1b9i n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b9i n ALA 163 N -0.15 5.24 -1.99 -1.41 0.00 -0.60 -3.25 120.51 118.35 1b9i n ALA 163 Ca 0.11 -4.05 -0.42 0.00 0.00 0.00 0.00 53.44 49.08 1b9i n ALA 163 Cb 0.43 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1b9i n ALA 163 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1b9i s HIS 164 N -3.62 3.11 -0.57 0.00 3.76 -1.26 -2.54 115.29 114.17 1b9i s HIS 164 Ca 0.50 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1b9i s HIS 164 Cb 0.41 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1b9i s HIS 164 CO -0.11 -2.98 0.00 0.41 -0.85 0.00 0.00 174.74 171.21 1b9i n GLY 165 N 3.41 0.79 3.89 -2.22 0.00 -1.26 -4.74 105.19 105.06 1b9i n GLY 165 Ca 0.12 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1b9i n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9i s ALA 166 N -2.19 3.38 -0.00 4.61 0.00 -1.05 -4.85 121.76 121.66 1b9i s ALA 166 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1b9i s ALA 166 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1b9i s ALA 166 CO 0.00 -0.20 -0.01 1.03 0.00 0.00 0.00 175.76 176.57 1b9i s ARG 167 N -4.35 0.12 -0.21 0.00 0.52 0.19 -3.45 118.95 111.77 1b9i s ARG 167 Ca 0.49 -0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.67 1b9i s ARG 167 Cb -0.10 -0.13 0.04 0.00 0.52 0.00 0.00 34.95 35.28 1b9i s ARG 167 CO 0.39 0.02 -0.14 -0.46 0.02 0.00 0.00 175.30 175.14 1b9i s TRP 168 N 0.01 2.84 -1.23 -0.53 -0.11 -0.50 -2.40 118.94 117.03 1b9i s TRP 168 Ca 0.00 -1.87 -0.05 0.00 1.22 0.00 0.00 56.10 55.40 1b9i s TRP 168 Cb -0.01 -1.84 -0.01 0.00 -1.50 0.00 0.00 33.47 30.11 1b9i s TRP 168 CO -0.00 -0.81 0.77 1.04 -4.62 0.00 0.00 176.95 173.32 1b9i n GLN 169 N 4.57 -3.87 -0.47 5.86 1.13 0.11 -1.19 117.38 123.52 1b9i n GLN 169 Ca -0.17 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1b9i n GLN 169 Cb 0.46 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.70 1b9i n GLN 169 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b9i n GLY 170 N -1.51 0.52 3.81 1.08 0.00 -1.26 -4.98 105.19 102.84 1b9i n GLY 170 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1b9i n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9i s LYS 171 N -0.48 3.25 0.71 1.61 1.02 -0.33 -5.07 119.74 120.45 1b9i s LYS 171 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.60 1b9i s LYS 171 Cb 0.00 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1b9i s LYS 171 CO 0.00 0.73 1.07 1.03 -0.92 0.00 0.00 175.35 177.26 1b9i s ARG 172 N -1.14 2.84 0.33 1.68 0.52 -1.26 -1.41 118.95 120.51 1b9i s ARG 172 Ca 0.16 0.71 0.09 0.00 -0.52 0.00 0.00 55.73 56.17 1b9i s ARG 172 Cb -0.12 -2.00 0.83 0.00 0.52 0.00 0.00 34.95 34.18 1b9i s ARG 172 CO 0.06 -1.10 1.78 0.28 0.02 0.00 0.00 175.30 176.34 1b9i h VAL 173 N -0.71 0.68 -0.10 3.52 2.07 -1.70 0.75 116.25 120.75 1b9i h VAL 173 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1b9i h VAL 173 Cb 1.23 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1b9i h VAL 173 CO 0.60 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1b9i n GLY 174 N -1.36 -0.47 0.95 2.17 0.00 -0.22 -3.76 105.19 102.48 1b9i n GLY 174 Ca 0.23 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1b9i n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b9i n GLU 175 N -0.24 2.48 -0.17 1.61 1.02 0.26 -4.33 120.64 121.28 1b9i n GLU 175 Ca 0.08 -2.93 0.09 0.00 -0.02 0.00 0.00 57.16 54.38 1b9i n GLU 175 Cb 0.12 -1.82 0.18 0.00 -0.02 0.00 0.00 31.44 29.90 1b9i n GLU 175 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1b9i n LEU 176 N -0.77 3.14 0.00 -4.62 4.77 -1.24 -4.78 117.00 113.50 1b9i n LEU 176 Ca 0.25 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1b9i n LEU 176 Cb 0.94 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1b9i n LEU 176 CO 0.16 0.70 0.00 -0.67 -1.33 0.00 0.00 177.39 176.26 1b9i n ASP 177 N 1.14 -3.10 -4.26 -1.43 2.03 -1.26 -5.00 116.55 104.67 1b9i n ASP 177 Ca 0.16 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.24 1b9i n ASP 177 Cb 0.51 -1.35 -0.12 0.00 -0.72 0.00 0.00 41.12 39.44 1b9i n ASP 177 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1b9i s SER 178 N -2.15 2.35 0.68 1.67 1.04 -1.26 -4.94 113.70 111.09 1b9i s SER 178 Ca 0.00 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 1b9i s SER 178 Cb 0.00 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1b9i s SER 178 CO 0.00 0.02 1.23 -0.63 0.98 0.00 0.00 173.24 174.85 1b9i s ILE 179 N -1.23 2.29 0.03 -1.02 1.01 -1.26 -4.41 121.20 116.62 1b9i s ILE 179 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1b9i s ILE 179 Cb -0.10 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1b9i s ILE 179 CO 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 174.94 174.93 1b9i s ALA 180 N -1.72 0.18 0.12 9.38 0.00 -0.82 -1.43 121.76 127.46 1b9i s ALA 180 Ca 0.78 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 52.09 1b9i s ALA 180 Cb -0.32 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1b9i s ALA 180 CO 0.41 -0.26 -0.25 0.95 0.00 0.00 0.00 175.76 176.61 1b9i s THR 181 N -2.47 2.07 0.29 0.00 -4.23 -0.21 0.03 115.64 111.12 1b9i s THR 181 Ca -0.06 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1b9i s THR 181 Cb -0.02 -1.84 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 1b9i s THR 181 CO -0.04 0.05 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.72 1b9i s PHE 182 N -1.08 1.89 0.06 3.99 0.40 0.10 -0.83 117.98 122.51 1b9i s PHE 182 Ca 0.11 -0.81 0.08 0.00 -0.60 0.00 0.00 56.93 55.72 1b9i s PHE 182 Cb -0.10 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1b9i s PHE 182 CO 0.05 0.15 -0.23 0.45 0.70 0.00 0.00 175.22 176.34 1b9i s SER 183 N -3.44 2.79 -0.16 1.36 0.15 -1.26 -1.87 113.70 111.28 1b9i s SER 183 Ca 0.31 -0.59 0.14 0.00 0.70 0.00 0.00 55.95 56.52 1b9i s SER 183 Cb 0.06 -0.23 0.38 0.00 -1.71 0.00 0.00 66.02 64.52 1b9i s SER 183 CO 0.12 0.18 1.19 0.49 1.20 0.00 0.00 173.24 176.43 1b9i n PHE 184 N 1.64 0.00 -0.80 3.44 3.72 0.20 -4.84 117.46 120.83 1b9i n PHE 184 Ca -0.17 -1.21 -0.32 0.00 -0.05 0.00 0.00 57.45 55.69 1b9i n PHE 184 Cb 0.53 -0.21 0.14 0.00 -0.94 0.00 0.00 39.48 39.00 1b9i n PHE 184 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1b9i n GLN 185 N -0.93 -0.29 -0.34 -1.08 0.00 -1.25 -2.52 117.38 110.98 1b9i n GLN 185 Ca 0.16 -0.03 0.19 0.00 -0.00 0.00 0.00 57.00 57.32 1b9i n GLN 185 Cb 0.74 -2.15 0.42 0.00 0.00 0.00 0.00 30.24 29.25 1b9i n GLN 185 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1b9i h ASN 186 N -1.58 0.61 0.12 1.69 -1.24 -1.54 -0.41 115.58 113.22 1b9i h ASN 186 Ca -0.44 0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.68 1b9i h ASN 186 Cb 1.28 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.34 1b9i h ASN 186 CO 0.39 0.13 -0.10 0.61 -1.29 0.00 0.00 177.43 177.17 1b9i n GLY 187 N -1.37 -0.38 3.67 1.57 0.00 -1.26 -4.48 105.19 102.94 1b9i n GLY 187 Ca 0.26 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1b9i n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9i s LYS 188 N -2.23 0.35 0.46 1.61 -0.14 -0.16 -4.94 119.74 114.69 1b9i s LYS 188 Ca 0.33 0.53 0.25 0.00 -1.36 0.00 0.00 55.97 55.72 1b9i s LYS 188 Cb 0.20 -1.73 1.09 0.00 -1.68 0.00 0.00 37.83 35.71 1b9i s LYS 188 CO 0.42 -2.79 1.90 -0.07 -0.76 0.00 0.00 175.35 174.05 1b9i h LEU 189 N -1.94 0.00 -7.70 3.17 3.38 -1.87 -3.40 115.31 106.95 1b9i h LEU 189 Ca -0.55 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.19 1b9i h LEU 189 Cb 1.33 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.80 1b9i h LEU 189 CO 0.57 0.20 -0.70 0.00 0.09 0.00 0.00 178.44 178.61 1b9i s MET 190 N -3.84 0.02 0.04 1.13 0.23 -1.26 -4.92 119.30 110.70 1b9i s MET 190 Ca -0.01 0.04 -0.10 0.00 -1.03 0.00 0.00 55.69 54.59 1b9i s MET 190 Cb 0.11 -0.00 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 1b9i s MET 190 CO 0.62 -0.01 0.21 -0.08 -2.03 0.00 0.00 175.02 173.73 1b9i s THR 191 N 0.07 0.10 -0.11 3.16 -1.32 -1.26 -4.45 115.64 111.84 1b9i s THR 191 Ca -0.01 -0.84 0.17 0.00 -1.21 0.00 0.00 61.69 59.80 1b9i s THR 191 Cb -0.01 -0.88 0.38 0.00 -1.51 0.00 0.00 72.50 70.48 1b9i s THR 191 CO -0.00 -0.46 1.18 0.00 -2.21 0.00 0.00 174.62 173.12 1b9i n ALA 192 N 0.73 2.91 0.00 11.08 0.00 -1.05 -4.64 120.51 129.55 1b9i n ALA 192 Ca -0.19 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1b9i n ALA 192 Cb 0.59 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1b9i n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9i n GLY 193 N -0.43 2.04 3.14 0.00 0.00 -1.24 -4.84 105.19 103.86 1b9i n GLY 193 Ca 0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1b9i n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b9i s GLU 194 N 0.00 0.74 0.00 1.61 0.41 -1.25 -1.22 118.70 118.99 1b9i s GLU 194 Ca 0.00 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 1b9i s GLU 194 Cb 0.00 -0.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.89 1b9i s GLU 194 CO 0.00 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 1b9i n GLY 195 N 0.87 2.98 3.67 -1.39 0.00 -0.97 -4.78 105.19 105.57 1b9i n GLY 195 Ca -0.18 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1b9i n GLY 195 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b9i s GLY 196 N 0.00 0.92 0.04 -0.02 0.00 -0.27 0.62 107.32 108.61 1b9i s GLY 196 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 44.72 43.32 1b9i s GLY 196 CO 0.00 -0.63 0.63 0.00 0.00 0.00 0.00 173.10 173.10 1b9i s ALA 197 N -2.45 -1.64 -0.13 3.20 0.00 -0.78 -1.56 121.76 118.41 1b9i s ALA 197 Ca 0.22 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1b9i s ALA 197 Cb -0.03 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1b9i s ALA 197 CO 0.16 -0.53 -0.18 0.08 0.00 0.00 0.00 175.76 175.30 1b9i s VAL 198 N -2.25 2.58 -0.02 0.00 1.01 -0.34 -0.73 120.40 120.66 1b9i s VAL 198 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1b9i s VAL 198 Cb -0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1b9i s VAL 198 CO 0.00 0.53 -0.25 -0.69 0.00 0.00 0.00 175.10 174.70 1b9i s VAL 199 N 0.48 2.18 -0.13 2.92 1.01 0.10 -0.18 120.40 126.78 1b9i s VAL 199 Ca -0.12 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.78 1b9i s VAL 199 Cb -0.16 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1b9i s VAL 199 CO 0.05 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.16 1b9i s PHE 200 N -0.65 2.32 1.00 5.22 0.40 0.87 -1.94 117.98 125.20 1b9i s PHE 200 Ca 0.10 -1.16 -0.12 0.00 -0.60 0.00 0.00 56.93 55.15 1b9i s PHE 200 Cb -0.10 -1.63 0.19 0.00 0.51 0.00 0.00 43.02 41.99 1b9i s PHE 200 CO -0.00 -0.57 1.08 -1.25 0.70 0.00 0.00 175.22 175.18 1b9i s PRO 201 N 0.98 0.39 0.34 0.24 0.04 -1.26 -0.81 135.00 134.91 1b9i s PRO 201 Ca -0.05 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1b9i s PRO 201 Cb -0.15 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 1b9i s PRO 201 CO -0.03 -2.80 1.42 -3.47 0.04 0.00 0.00 177.00 172.16 1b9i n ASP 202 N -4.25 3.30 0.00 6.66 2.03 -1.26 -1.56 116.55 121.47 1b9i n ASP 202 Ca 0.05 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1b9i n ASP 202 Cb 0.56 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1b9i n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b9i n GLY 203 N 1.04 0.88 0.82 0.27 0.00 -1.26 -4.95 105.19 101.98 1b9i n GLY 203 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1b9i n GLY 203 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b9i n GLU 204 N -2.00 1.71 -0.26 1.61 -0.58 -0.60 -4.77 120.64 115.75 1b9i n GLU 204 Ca 0.00 -3.29 0.03 0.00 -0.42 0.00 0.00 57.16 53.48 1b9i n GLU 204 Cb 0.00 -1.70 0.17 0.00 -0.57 0.00 0.00 31.44 29.33 1b9i n GLU 204 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1b9i h THR 205 N 1.03 0.81 -0.68 2.62 2.02 -1.93 -1.95 112.91 114.83 1b9i h THR 205 Ca 0.08 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1b9i h THR 205 Cb 1.23 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1b9i h THR 205 CO 0.15 0.11 0.36 -0.08 0.37 0.00 0.00 175.52 176.43 1b9i h GLU 206 N 0.62 0.61 -0.20 6.66 4.57 -2.00 -1.10 114.58 123.74 1b9i h GLU 206 Ca 0.39 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.39 1b9i h GLU 206 Cb 0.45 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1b9i h GLU 206 CO -0.30 0.40 -0.45 0.87 -1.18 0.00 0.00 179.01 178.36 1b9i h LYS 207 N 0.63 0.50 0.23 1.92 1.57 -1.82 -0.99 116.57 118.61 1b9i h LYS 207 Ca 0.32 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1b9i h LYS 207 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1b9i h LYS 207 CO -0.23 0.85 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.44 1b9i h TYR 208 N 0.41 -0.37 -0.15 -1.35 3.20 -0.96 0.51 116.97 118.26 1b9i h TYR 208 Ca 0.03 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1b9i h TYR 208 Cb 0.94 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1b9i h TYR 208 CO 0.03 -0.23 0.06 0.93 -1.64 0.00 0.00 178.16 177.32 1b9i h GLU 209 N -0.36 0.13 -0.56 1.82 4.39 -0.95 0.83 114.58 119.89 1b9i h GLU 209 Ca -0.02 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1b9i h GLU 209 Cb 0.30 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1b9i h GLU 209 CO 0.02 0.09 0.36 1.15 -1.16 0.00 0.00 179.01 179.46 1b9i h THR 210 N 0.14 1.10 -0.31 1.13 2.02 -1.05 -2.32 112.91 113.63 1b9i h THR 210 Ca 0.06 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1b9i h THR 210 Cb 0.03 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 1b9i h THR 210 CO -0.06 0.13 0.07 0.00 0.37 0.00 0.00 175.52 176.04 1b9i h ALA 211 N 1.23 0.33 -0.31 6.16 0.00 0.44 0.28 119.26 127.37 1b9i h ALA 211 Ca 0.22 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1b9i h ALA 211 Cb -0.03 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1b9i h ALA 211 CO -0.07 -0.33 -0.10 0.35 0.00 0.00 0.00 179.25 179.10 1b9i h PHE 212 N 0.19 -0.23 -0.16 0.00 3.04 -0.68 -0.89 116.94 118.22 1b9i h PHE 212 Ca 0.14 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.14 1b9i h PHE 212 Cb 0.14 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1b9i h PHE 212 CO -0.16 -0.16 0.02 -0.07 -2.02 0.00 0.00 178.31 175.91 1b9i h LEU 213 N -0.03 -0.03 -1.94 0.59 3.38 -0.84 -2.43 115.31 114.01 1b9i h LEU 213 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1b9i h LEU 213 Cb 0.27 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1b9i h LEU 213 CO -0.34 0.01 -0.04 0.03 0.09 0.00 0.00 178.44 178.19 1b9i h ARG 214 N 0.07 0.00 0.00 1.13 3.08 0.16 -0.28 114.38 118.55 1b9i h ARG 214 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1b9i h ARG 214 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1b9i h ARG 214 CO -0.11 0.04 -0.42 -2.39 -1.07 0.00 0.00 179.97 176.02 1b9i n HIS 215 N -3.21 0.01 -2.47 3.04 1.44 -0.40 -1.35 115.22 112.28 1b9i n HIS 215 Ca -0.01 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.43 1b9i n HIS 215 Cb 0.24 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.05 1b9i n HIS 215 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1b9i n SER 216 N -1.51 4.74 -3.35 4.39 2.88 -0.88 -0.28 113.62 119.61 1b9i n SER 216 Ca 0.06 -3.72 -0.24 0.00 -1.33 0.00 0.00 58.87 53.63 1b9i n SER 216 Cb 0.34 -0.46 0.02 0.00 -0.75 0.00 0.00 64.21 63.35 1b9i n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9i n GLY 218 N -1.40 0.32 3.62 0.00 0.00 -0.17 -4.75 105.19 102.81 1b9i n GLY 218 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1b9i n GLY 218 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b9i s ARG 219 N -4.45 3.99 0.37 1.61 3.52 -0.47 -0.18 118.95 123.35 1b9i s ARG 219 Ca 0.00 -0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.03 1b9i s ARG 219 Cb 0.00 -3.46 -0.12 0.00 -1.56 0.00 0.00 34.95 29.81 1b9i s ARG 219 CO 0.00 0.05 1.05 -2.30 -0.81 0.00 0.00 175.30 173.29 1b9i n PRO 220 N 4.29 1.46 -0.24 5.12 -0.02 -1.26 -4.83 135.00 139.52 1b9i n PRO 220 Ca -0.15 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1b9i n PRO 220 Cb 0.52 -2.02 0.41 0.00 -0.02 0.00 0.00 33.50 32.39 1b9i n PRO 220 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1b9i h ARG 221 N 1.82 0.61 -0.45 -0.52 1.12 -1.97 -0.65 114.38 114.34 1b9i h ARG 221 Ca -0.43 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 1b9i h ARG 221 Cb 1.33 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1b9i h ARG 221 CO 0.59 0.40 0.00 -0.25 -3.11 0.00 0.00 179.97 177.60 1b9i n ASP 222 N -4.53 3.57 -4.77 -3.80 8.00 -1.26 -5.00 116.55 108.76 1b9i n ASP 222 Ca 0.16 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.26 1b9i n ASP 222 Cb 0.47 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1b9i n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1b9i s ASP 223 N -1.42 6.05 -0.00 -2.24 2.15 -0.25 -4.92 116.67 116.03 1b9i s ASP 223 Ca 0.41 2.94 0.01 0.00 0.43 0.00 0.00 52.55 56.34 1b9i s ASP 223 Cb 0.23 -2.66 -0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1b9i s ASP 223 CO 0.32 -1.06 0.04 0.54 -0.17 0.00 0.00 175.17 174.84 1b9i n ARG 224 N 0.03 4.43 -0.23 4.34 1.74 -1.26 -4.83 116.66 120.88 1b9i n ARG 224 Ca 0.04 -0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.20 1b9i n ARG 224 Cb 0.41 -0.71 0.19 0.00 -1.02 0.00 0.00 32.46 31.33 1b9i n ARG 224 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b9i n ARG 225 N -1.20 2.05 -3.37 5.56 5.12 -1.26 -4.98 116.66 118.58 1b9i n ARG 225 Ca 0.00 -2.66 -0.19 0.00 -1.93 0.00 0.00 57.85 53.07 1b9i n ARG 225 Cb 0.02 -1.63 0.06 0.00 -1.16 0.00 0.00 32.46 29.75 1b9i n ARG 225 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1b9i n TYR 226 N -0.99 -2.31 -2.10 -1.55 4.01 -1.26 -4.93 117.16 108.03 1b9i n TYR 226 Ca 0.18 0.82 -0.42 0.00 -0.16 0.00 0.00 57.90 58.31 1b9i n TYR 226 Cb 0.74 -4.26 0.00 0.00 -0.31 0.00 0.00 39.34 35.50 1b9i n TYR 226 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1b9i n PHE 227 N -4.48 3.26 -1.76 -0.72 3.72 -1.26 -4.95 117.46 111.26 1b9i n PHE 227 Ca -0.00 -2.88 -0.42 0.00 -0.05 0.00 0.00 57.45 54.10 1b9i n PHE 227 Cb 0.55 -2.22 -0.03 0.00 -0.94 0.00 0.00 39.48 36.84 1b9i n PHE 227 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1b9i s HIS 228 N 1.64 1.76 -0.13 1.38 3.76 -1.26 -4.61 115.29 117.83 1b9i s HIS 228 Ca 0.43 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.07 1b9i s HIS 228 Cb 0.11 -4.15 -0.25 0.00 1.11 0.00 0.00 32.58 29.40 1b9i s HIS 228 CO -0.03 -4.93 0.40 0.87 -0.85 0.00 0.00 174.74 170.19 1b9i h LYS 229 N 9.61 0.23 -4.23 1.40 1.79 -0.86 -3.49 116.57 121.02 1b9i h LYS 229 Ca -0.46 -0.38 -0.16 0.00 -2.18 0.00 0.00 60.65 57.46 1b9i h LYS 229 Cb 1.22 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 31.88 1b9i h LYS 229 CO 0.94 1.18 -0.46 0.96 -1.08 0.00 0.00 179.45 181.00 1b9i s ILE 230 N -2.51 0.03 0.99 1.86 -4.36 -1.25 -5.10 121.20 110.85 1b9i s ILE 230 Ca -0.23 -1.74 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 1b9i s ILE 230 Cb 0.06 -2.23 0.18 0.00 1.25 0.00 0.00 42.46 41.72 1b9i s ILE 230 CO 0.74 -0.14 1.08 0.00 0.24 0.00 0.00 174.94 176.87 1b9i s ALA 231 N -4.07 0.89 0.00 2.27 0.00 -1.26 -3.76 121.76 115.83 1b9i s ALA 231 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1b9i s ALA 231 Cb 0.05 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1b9i s ALA 231 CO 0.07 -2.91 0.00 0.41 0.00 0.00 0.00 175.76 173.34 1b9i n GLY 232 N -0.31 -0.51 0.00 0.00 0.00 -1.26 -4.57 105.19 98.53 1b9i n GLY 232 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1b9i n GLY 232 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b9i n SER 233 N 0.00 0.00 -4.30 1.61 2.88 -0.45 -4.93 113.62 108.42 1b9i n SER 233 Ca 0.00 -0.80 -0.34 0.00 -1.33 0.00 0.00 58.87 56.39 1b9i n SER 233 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1b9i n SER 233 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1b9i s ASN 234 N -0.41 4.11 -0.14 -3.46 2.47 -1.26 -0.21 114.94 116.05 1b9i s ASN 234 Ca 0.00 -0.40 0.19 0.00 0.42 0.00 0.00 52.86 53.06 1b9i s ASN 234 Cb 0.00 -1.68 0.44 0.00 -1.45 0.00 0.00 41.25 38.56 1b9i s ASN 234 CO 0.00 0.02 1.18 0.23 -3.72 0.00 0.00 177.10 174.81 1b9i n MET 235 N 4.50 1.14 -2.16 0.43 2.81 0.61 -4.98 117.12 119.47 1b9i n MET 235 Ca -0.19 -2.87 -0.41 0.00 -1.81 0.00 0.00 57.70 52.43 1b9i n MET 235 Cb 0.51 -1.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.00 1b9i n MET 235 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1b9i s ARG 236 N -1.97 4.38 0.04 0.03 0.52 -1.24 -0.66 118.95 120.05 1b9i s ARG 236 Ca 0.36 2.14 -0.11 0.00 -0.52 0.00 0.00 55.73 57.60 1b9i s ARG 236 Cb 0.38 -3.13 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 1b9i s ARG 236 CO -0.10 -0.21 0.39 -1.17 0.02 0.00 0.00 175.30 174.24 1b9i s LEU 237 N -1.02 4.40 0.57 2.53 2.96 -1.26 -4.23 118.68 122.62 1b9i s LEU 237 Ca 0.53 0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 55.19 1b9i s LEU 237 Cb -0.38 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1b9i s LEU 237 CO 0.46 0.24 0.94 0.54 -1.32 0.00 0.00 176.35 177.20 1b9i s ASN 238 N -1.49 6.24 0.31 3.68 2.20 -1.26 -4.32 114.94 120.30 1b9i s ASN 238 Ca 0.29 1.23 0.06 0.00 -0.94 0.00 0.00 52.86 53.50 1b9i s ASN 238 Cb -0.15 -2.38 0.50 0.00 -2.00 0.00 0.00 41.25 37.23 1b9i s ASN 238 CO 0.16 -0.76 1.74 -0.33 -2.94 0.00 0.00 177.10 174.97 1b9i h GLU 239 N -0.11 0.28 0.37 3.55 4.39 -1.52 -1.98 114.58 119.56 1b9i h GLU 239 Ca -0.45 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 1b9i h GLU 239 Cb 1.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1b9i h GLU 239 CO 0.62 0.59 -0.18 0.74 -1.16 0.00 0.00 179.01 179.62 1b9i h PHE 240 N 0.24 -0.46 -0.56 4.33 0.04 -1.92 -1.64 116.94 116.96 1b9i h PHE 240 Ca 0.03 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.89 1b9i h PHE 240 Cb 0.72 0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.94 1b9i h PHE 240 CO 0.01 -0.26 0.10 0.77 -0.60 0.00 0.00 178.31 178.34 1b9i h SER 241 N -0.55 -0.03 -0.86 2.17 0.02 -1.92 -1.03 113.55 111.36 1b9i h SER 241 Ca -0.05 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1b9i h SER 241 Cb 0.41 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1b9i h SER 241 CO 0.08 0.00 0.52 0.00 -1.14 0.00 0.00 176.83 176.30 1b9i h ALA 242 N 1.45 1.09 -0.38 3.77 0.00 -1.23 -1.37 119.26 122.59 1b9i h ALA 242 Ca 0.29 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1b9i h ALA 242 Cb 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b9i h ALA 242 CO -0.39 0.55 -0.23 0.66 0.00 0.00 0.00 179.25 179.84 1b9i h SER 243 N 1.18 0.78 -0.13 0.00 4.64 -0.22 -1.00 113.55 118.80 1b9i h SER 243 Ca 0.31 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1b9i h SER 243 Cb -0.05 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1b9i h SER 243 CO -0.06 0.98 -0.07 0.58 -0.87 0.00 0.00 176.83 177.39 1b9i h VAL 244 N 0.66 1.20 -0.53 0.95 2.07 -0.76 -2.84 116.25 117.00 1b9i h VAL 244 Ca 0.09 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1b9i h VAL 244 Cb 0.74 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1b9i h VAL 244 CO 0.06 0.28 -0.10 -0.07 0.02 0.00 0.00 177.57 177.76 1b9i h LEU 245 N 0.41 0.99 -1.19 2.57 4.07 -0.50 -1.46 115.31 120.20 1b9i h LEU 245 Ca 0.08 -0.32 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 1b9i h LEU 245 Cb 0.39 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1b9i h LEU 245 CO 0.02 1.10 0.19 0.03 -1.08 0.00 0.00 178.44 178.70 1b9i h ARG 246 N 0.89 0.76 -0.07 1.13 3.08 -0.97 -1.38 114.38 117.82 1b9i h ARG 246 Ca 0.14 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1b9i h ARG 246 Cb 0.65 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1b9i h ARG 246 CO 0.05 0.64 -0.57 0.00 -1.07 0.00 0.00 179.97 179.01 1b9i h ALA 247 N 1.47 0.90 -0.23 0.04 0.00 -1.34 -3.13 119.26 116.97 1b9i h ALA 247 Ca 0.18 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1b9i h ALA 247 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b9i h ALA 247 CO -0.01 0.71 -0.16 1.96 0.00 0.00 0.00 179.25 181.74 1b9i h GLN 248 N 0.17 0.52 -0.75 0.00 1.08 -1.00 -3.20 115.11 111.93 1b9i h GLN 248 Ca -0.00 -0.25 0.17 0.00 -1.45 0.00 0.00 58.65 57.12 1b9i h GLN 248 Cb 1.06 -0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.37 1b9i h GLN 248 CO 0.09 0.81 0.14 1.25 -0.95 0.00 0.00 178.83 180.17 1b9i h LEU 249 N 0.22 -0.07 -2.16 1.46 6.46 -1.29 -1.20 115.31 118.74 1b9i h LEU 249 Ca 0.05 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1b9i h LEU 249 Cb 0.69 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1b9i h LEU 249 CO 0.04 -0.08 -0.07 0.00 -0.62 0.00 0.00 178.44 177.71 1b9i h ALA 250 N 1.64 1.33 -0.01 1.25 0.00 -1.53 -2.87 119.26 119.08 1b9i h ALA 250 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1b9i h ALA 250 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1b9i h ALA 250 CO -0.55 0.09 -0.51 0.54 0.00 0.00 0.00 179.25 178.81 1b9i n ARG 251 N -3.65 0.48 0.24 0.00 1.74 -0.47 -4.74 116.66 110.26 1b9i n ARG 251 Ca -0.02 -0.33 -0.16 0.00 -0.77 0.00 0.00 57.85 56.56 1b9i n ARG 251 Cb 0.18 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1b9i n ARG 251 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1b9i h LEU 252 N 0.81 -1.12 -0.75 0.55 5.85 -1.35 -2.45 115.31 116.85 1b9i h LEU 252 Ca 0.00 0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1b9i h LEU 252 Cb 0.55 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.84 1b9i h LEU 252 CO 0.00 -0.55 0.13 0.44 -0.34 0.00 0.00 178.44 178.12 1b9i h ASP 253 N -0.82 -0.10 0.91 1.25 5.19 -1.85 0.52 116.42 121.51 1b9i h ASP 253 Ca -0.03 0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 1b9i h ASP 253 Cb 0.74 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1b9i h ASP 253 CO -0.08 -0.09 -0.59 -0.08 -3.12 0.00 0.00 179.24 175.27 1b9i h GLU 254 N 0.21 0.00 -0.32 3.56 4.81 -1.90 -2.00 114.58 118.94 1b9i h GLU 254 Ca 0.43 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.51 1b9i h GLU 254 Cb 0.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1b9i h GLU 254 CO -0.57 0.59 -0.38 1.96 -0.73 0.00 0.00 179.01 179.88 1b9i h GLN 255 N 0.00 0.83 -0.76 1.92 4.20 -0.42 -2.06 115.11 118.82 1b9i h GLN 255 Ca -0.01 -0.46 0.02 0.00 0.06 0.00 0.00 58.65 58.27 1b9i h GLN 255 Cb 1.20 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1b9i h GLN 255 CO 0.08 1.09 0.50 0.82 -0.67 0.00 0.00 178.83 180.65 1b9i h ILE 256 N 0.61 1.15 0.22 2.54 2.04 -1.28 -1.11 117.51 121.68 1b9i h ILE 256 Ca 0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1b9i h ILE 256 Cb 0.97 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1b9i h ILE 256 CO 0.09 0.18 -0.11 0.00 0.00 0.00 0.00 178.15 178.31 1b9i h ALA 257 N 1.54 -0.30 -0.50 1.87 0.00 -1.17 -0.95 119.26 119.76 1b9i h ALA 257 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1b9i h ALA 257 Cb -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1b9i h ALA 257 CO -0.08 -0.61 0.29 0.28 0.00 0.00 0.00 179.25 179.14 1b9i h VAL 258 N -0.42 1.04 -0.90 0.00 2.07 -1.04 -2.57 116.25 114.43 1b9i h VAL 258 Ca -0.03 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1b9i h VAL 258 Cb 0.32 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1b9i h VAL 258 CO 0.05 0.10 0.58 0.03 0.02 0.00 0.00 177.57 178.35 1b9i h ARG 259 N 0.57 1.08 -0.65 1.57 3.08 -1.09 -1.51 114.38 117.42 1b9i h ARG 259 Ca 0.20 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1b9i h ARG 259 Cb 0.04 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 1b9i h ARG 259 CO -0.10 0.71 0.24 0.22 -1.07 0.00 0.00 179.97 179.97 1b9i h ASP 260 N 1.11 0.88 -0.44 7.04 3.58 -0.76 0.44 116.42 128.27 1b9i h ASP 260 Ca 0.37 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.60 1b9i h ASP 260 Cb 0.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1b9i h ASP 260 CO -0.13 0.80 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.64 1b9i h GLU 261 N 0.94 0.82 -0.03 0.28 5.08 -1.25 -2.70 114.58 117.73 1b9i h GLU 261 Ca 0.22 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1b9i h GLU 261 Cb 0.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1b9i h GLU 261 CO -0.02 0.91 -0.58 0.00 -1.00 0.00 0.00 179.01 178.33 1b9i h ARG 262 N 0.66 0.08 -0.05 2.33 2.47 -0.96 -3.06 114.38 115.85 1b9i h ARG 262 Ca 0.12 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.58 1b9i h ARG 262 Cb 0.58 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1b9i h ARG 262 CO 0.03 0.64 -0.81 2.35 0.56 0.00 0.00 179.97 182.74 1b9i h TRP 263 N 0.06 0.57 -0.29 3.04 2.91 -0.73 -0.33 115.95 121.18 1b9i h TRP 263 Ca -0.00 -0.28 0.06 0.00 1.13 0.00 0.00 58.89 59.80 1b9i h TRP 263 Cb 1.04 -0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 29.53 1b9i h TRP 263 CO 0.01 1.06 -0.34 1.15 -1.03 0.00 0.00 178.44 179.29 1b9i h THR 264 N 0.26 0.23 0.04 2.65 2.02 -1.50 0.32 112.91 116.93 1b9i h THR 264 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1b9i h THR 264 Cb 1.42 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1b9i h THR 264 CO 0.14 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.23 1b9i h LEU 265 N -0.33 -0.12 -0.09 2.58 5.85 -1.39 -3.03 115.31 118.77 1b9i h LEU 265 Ca 0.13 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1b9i h LEU 265 Cb 0.55 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1b9i h LEU 265 CO -0.47 -0.07 -0.08 0.25 -0.34 0.00 0.00 178.44 177.73 1b9i h LEU 266 N -0.10 0.22 -0.71 2.25 5.85 -0.96 -2.05 115.31 119.81 1b9i h LEU 266 Ca 0.01 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.42 1b9i h LEU 266 Cb 0.10 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 40.95 1b9i h LEU 266 CO -0.02 0.64 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.41 1b9i h SER 267 N -0.19 -0.40 -0.03 1.25 0.87 -0.44 0.06 113.55 114.67 1b9i h SER 267 Ca 0.02 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1b9i h SER 267 Cb 0.57 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1b9i h SER 267 CO 0.02 -0.18 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.05 1b9i h ARG 268 N 0.08 0.05 -0.88 2.24 2.43 -1.47 -1.19 114.38 115.64 1b9i h ARG 268 Ca 0.38 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.65 1b9i h ARG 268 Cb 0.64 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 1b9i h ARG 268 CO -0.65 0.36 0.50 -0.07 -1.51 0.00 0.00 179.97 178.60 1b9i h LEU 269 N -0.27 0.70 -0.21 3.80 3.38 -0.58 -2.45 115.31 119.68 1b9i h LEU 269 Ca 0.01 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1b9i h LEU 269 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1b9i h LEU 269 CO 0.00 0.36 -0.18 -0.07 0.09 0.00 0.00 178.44 178.64 1b9i h LEU 270 N 0.79 0.52 -1.91 1.67 4.07 -1.04 -3.14 115.31 116.28 1b9i h LEU 270 Ca 0.44 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1b9i h LEU 270 Cb 0.48 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1b9i h LEU 270 CO -0.28 0.88 0.00 1.23 -1.08 0.00 0.00 178.44 179.18 1b9i h GLY 271 N 0.18 0.00 2.00 0.83 0.00 -0.76 -0.54 103.07 104.78 1b9i h GLY 271 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1b9i h GLY 271 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1b9i n ALA 272 N -1.97 2.21 -2.71 3.60 0.00 -1.01 -4.77 120.51 115.87 1b9i n ALA 272 Ca -0.01 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1b9i n ALA 272 Cb 0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1b9i n ALA 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b9i s ILE 273 N -3.12 5.07 0.42 0.00 1.01 -0.21 -5.03 121.20 119.34 1b9i s ILE 273 Ca 0.10 1.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.78 1b9i s ILE 273 Cb 0.12 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1b9i s ILE 273 CO 0.56 0.24 1.19 -1.81 0.00 0.00 0.00 174.94 175.12 1b9i s ASP 274 N 0.83 6.38 0.00 3.58 1.01 -1.26 -2.84 116.67 124.36 1b9i s ASP 274 Ca 0.33 2.38 0.00 0.00 0.71 0.00 0.00 52.55 55.97 1b9i s ASP 274 Cb -0.17 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1b9i s ASP 274 CO 0.15 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.36 1b9i n GLY 275 N 0.59 3.04 3.62 0.21 0.00 -1.26 -5.00 105.19 106.39 1b9i n GLY 275 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1b9i n GLY 275 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9i s VAL 276 N -1.99 5.02 -0.27 1.61 1.01 -1.13 -3.65 120.40 120.99 1b9i s VAL 276 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1b9i s VAL 276 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 33.15 1b9i s VAL 276 CO 0.00 0.39 0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1b9i s VAL 277 N 0.87 1.39 0.73 2.92 1.01 -0.73 -4.38 120.40 122.21 1b9i s VAL 277 Ca 0.06 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.45 1b9i s VAL 277 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1b9i s VAL 277 CO 0.03 -0.38 1.23 -0.81 0.00 0.00 0.00 175.10 175.17 1b9i n PRO 278 N 4.68 0.63 -1.51 2.72 -0.04 -1.26 -1.50 135.00 138.72 1b9i n PRO 278 Ca -0.06 0.28 -0.45 0.00 -0.04 0.00 0.00 63.50 63.24 1b9i n PRO 278 Cb 0.43 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1b9i n PRO 278 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1b9i n GLN 279 N -2.55 0.81 -1.74 0.54 7.27 0.11 -4.81 117.38 117.01 1b9i n GLN 279 Ca 0.15 0.29 -0.29 0.00 0.07 0.00 0.00 57.00 57.21 1b9i n GLN 279 Cb 0.49 -1.55 0.10 0.00 2.41 0.00 0.00 30.24 31.69 1b9i n GLN 279 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1b9i s GLY 280 N -0.77 1.59 0.28 1.69 0.00 0.39 -4.95 107.32 105.55 1b9i s GLY 280 Ca 0.61 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.84 1b9i s GLY 280 CO 0.58 -0.04 0.31 0.61 0.00 0.00 0.00 173.10 174.57 1b9i n GLY 281 N -2.78 2.36 3.50 0.20 0.00 -1.26 -4.52 105.19 102.68 1b9i n GLY 281 Ca 0.07 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.90 1b9i n GLY 281 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b9i s ASP 282 N -2.70 -0.89 0.33 1.61 -1.08 -1.26 -4.86 116.67 107.82 1b9i s ASP 282 Ca 0.24 1.16 0.17 0.00 -0.52 0.00 0.00 52.55 53.60 1b9i s ASP 282 Cb -0.02 1.99 0.41 0.00 -1.46 0.00 0.00 42.92 43.84 1b9i s ASP 282 CO 0.15 -0.17 1.60 1.62 0.52 0.00 0.00 175.17 178.90 1b9i h VAL 283 N 5.76 0.87 -0.23 1.11 3.04 -2.01 -2.75 116.25 122.05 1b9i h VAL 283 Ca -0.17 -1.84 0.07 0.00 -1.01 0.00 0.00 66.70 63.74 1b9i h VAL 283 Cb 1.11 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 1b9i h VAL 283 CO 0.09 0.43 0.22 0.03 -1.01 0.00 0.00 177.57 177.33 1b9i h ARG 284 N 0.00 0.00 -5.36 4.17 3.08 -1.97 -3.33 114.38 110.97 1b9i h ARG 284 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1b9i h ARG 284 Cb 1.12 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.03 1b9i h ARG 284 CO 0.06 0.00 1.37 0.00 -1.07 0.00 0.00 179.97 180.33 1b9i s ALA 285 N -4.74 3.37 -0.29 0.04 0.00 -1.04 0.07 121.76 119.17 1b9i s ALA 285 Ca -0.05 -2.83 0.27 0.00 0.00 0.00 0.00 51.96 49.35 1b9i s ALA 285 Cb 0.16 -4.29 1.12 0.00 0.00 0.00 0.00 23.12 20.11 1b9i s ALA 285 CO 0.59 -3.13 1.80 0.38 0.00 0.00 0.00 175.76 175.40 1b9i h ASP 286 N 8.39 0.00 -2.79 0.00 2.03 -1.59 -3.39 116.42 119.08 1b9i h ASP 286 Ca 0.26 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 56.17 1b9i h ASP 286 Cb 0.95 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 39.07 1b9i h ASP 286 CO 1.28 0.00 -0.69 -0.60 -1.03 0.00 0.00 179.24 178.20 1b9i s ARG 287 N -3.44 0.13 -0.23 4.15 3.52 -1.08 -4.90 118.95 117.10 1b9i s ARG 287 Ca 0.03 0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.54 1b9i s ARG 287 Cb 0.09 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1b9i s ARG 287 CO 0.43 -0.66 0.36 1.21 -0.81 0.00 0.00 175.30 175.83 1b9i s ASN 288 N 2.23 6.34 0.51 -2.12 3.84 -1.26 -0.64 114.94 123.84 1b9i s ASN 288 Ca 0.04 0.39 0.30 0.00 0.21 0.00 0.00 52.86 53.80 1b9i s ASN 288 Cb -0.16 -2.21 1.19 0.00 -0.55 0.00 0.00 41.25 39.52 1b9i s ASN 288 CO -0.11 -0.10 1.92 0.28 -2.79 0.00 0.00 177.10 176.31 1b9i h SER 289 N 7.65 0.00 -4.19 -4.21 0.02 -1.69 -3.46 113.55 107.67 1b9i h SER 289 Ca -0.35 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.39 1b9i h SER 289 Cb 1.16 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.80 1b9i h SER 289 CO 0.69 0.08 -0.46 1.41 -1.14 0.00 0.00 176.83 177.41 1b9i n HIS 290 N -3.22 -1.41 -0.10 3.45 8.25 -1.17 -4.77 115.22 116.26 1b9i n HIS 290 Ca 0.00 0.58 -0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1b9i n HIS 290 Cb 0.35 -3.83 0.03 0.00 1.12 0.00 0.00 29.99 27.66 1b9i n HIS 290 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1b9i h TYR 291 N -1.24 1.01 -3.86 4.41 3.20 -1.33 -3.44 116.97 115.72 1b9i h TYR 291 Ca -0.36 -0.27 -0.38 0.00 3.14 0.00 0.00 58.73 60.85 1b9i h TYR 291 Cb 1.21 -0.22 -0.20 0.00 1.54 0.00 0.00 36.73 39.05 1b9i h TYR 291 CO 0.27 1.06 -0.76 -1.64 -1.64 0.00 0.00 178.16 175.45 1b9i s MET 292 N -4.47 0.82 -0.77 1.82 -1.94 -1.23 -3.58 119.30 109.95 1b9i s MET 292 Ca -0.10 -1.01 -0.16 0.00 -1.71 0.00 0.00 55.69 52.71 1b9i s MET 292 Cb 0.12 -0.74 0.17 0.00 2.01 0.00 0.00 34.83 36.40 1b9i s MET 292 CO 0.86 0.15 0.79 0.00 -0.01 0.00 0.00 175.02 176.82 1b9i s ALA 293 N -1.59 3.78 -0.08 3.03 0.00 -0.93 -4.91 121.76 121.06 1b9i s ALA 293 Ca -0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 51.96 48.97 1b9i s ALA 293 Cb -0.08 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1b9i s ALA 293 CO 0.02 -2.39 0.12 -1.64 0.00 0.00 0.00 175.76 171.87 1b9i s MET 294 N 1.24 3.33 -0.04 0.00 -1.94 -1.26 -1.12 119.30 119.52 1b9i s MET 294 Ca 0.18 -0.25 -0.10 0.00 -1.71 0.00 0.00 55.69 53.81 1b9i s MET 294 Cb -0.14 -3.08 0.02 0.00 2.01 0.00 0.00 34.83 33.64 1b9i s MET 294 CO -0.05 0.73 0.23 -0.59 -0.01 0.00 0.00 175.02 175.33 1b9i s PHE 295 N -1.08 -0.13 0.25 -0.03 -0.71 0.62 0.05 117.98 116.94 1b9i s PHE 295 Ca 0.18 0.26 0.01 0.00 -1.04 0.00 0.00 56.93 56.34 1b9i s PHE 295 Cb -0.12 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1b9i s PHE 295 CO 0.08 -0.26 0.43 1.03 -1.34 0.00 0.00 175.22 175.15 1b9i s ARG 296 N -0.84 3.49 -0.45 1.99 0.52 -0.56 -0.90 118.95 122.19 1b9i s ARG 296 Ca -0.09 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.77 1b9i s ARG 296 Cb -0.05 -2.80 0.30 0.00 0.52 0.00 0.00 34.95 32.91 1b9i s ARG 296 CO 0.02 0.34 0.69 -0.89 0.02 0.00 0.00 175.30 175.48 1b9i n ILE 297 N -1.13 0.57 -1.48 1.52 -0.00 -0.73 -1.77 119.36 116.34 1b9i n ILE 297 Ca -0.06 -4.65 -0.49 0.00 -0.00 0.00 0.00 62.75 57.55 1b9i n ILE 297 Cb 0.55 -1.34 -0.04 0.00 -0.00 0.00 0.00 39.64 38.82 1b9i n ILE 297 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1b9i n PRO 298 N 0.69 0.42 0.00 0.38 -0.02 -1.24 -2.10 135.00 133.12 1b9i n PRO 298 Ca 0.25 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1b9i n PRO 298 Cb 0.53 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1b9i n PRO 298 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b9i n GLY 299 N 1.79 2.93 3.76 -1.23 0.00 -1.26 -5.04 105.19 106.14 1b9i n GLY 299 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1b9i n GLY 299 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b9i s LEU 300 N 0.00 4.40 0.95 0.99 1.02 -0.89 -5.04 118.68 120.11 1b9i s LEU 300 Ca 0.00 2.71 -0.13 0.00 0.02 0.00 0.00 54.13 56.73 1b9i s LEU 300 Cb 0.00 -3.64 0.16 0.00 0.02 0.00 0.00 46.19 42.73 1b9i s LEU 300 CO 0.00 -0.61 1.13 0.42 0.02 0.00 0.00 176.35 177.31 1b9i s THR 301 N -0.78 1.98 0.20 5.49 -4.23 -1.26 -4.39 115.64 112.65 1b9i s THR 301 Ca 0.52 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1b9i s THR 301 Cb -0.41 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 70.87 1b9i s THR 301 CO 0.51 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.99 1b9i h GLU 302 N -1.66 0.33 -0.59 3.99 5.08 -1.91 0.50 114.58 120.31 1b9i h GLU 302 Ca -0.51 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1b9i h GLU 302 Cb 1.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1b9i h GLU 302 CO 0.59 0.22 0.31 0.93 -1.00 0.00 0.00 179.01 180.06 1b9i h GLU 303 N 0.34 0.84 -0.20 2.33 3.07 -1.92 1.20 114.58 120.24 1b9i h GLU 303 Ca 0.28 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1b9i h GLU 303 Cb 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1b9i h GLU 303 CO -0.30 0.65 -0.02 0.00 -1.40 0.00 0.00 179.01 177.94 1b9i h ARG 304 N 0.80 0.36 -0.62 2.33 3.08 -1.57 -1.89 114.38 116.87 1b9i h ARG 304 Ca 0.21 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1b9i h ARG 304 Cb 0.07 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1b9i h ARG 304 CO -0.03 0.58 0.30 -0.09 -1.07 0.00 0.00 179.97 179.66 1b9i h ARG 305 N 0.10 0.53 -0.68 0.04 1.12 -0.31 0.15 114.38 115.33 1b9i h ARG 305 Ca 0.05 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.90 1b9i h ARG 305 Cb 0.43 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.23 1b9i h ARG 305 CO 0.01 0.35 0.45 -0.91 -3.11 0.00 0.00 179.97 176.77 1b9i h ASN 306 N 0.55 0.77 -0.06 -3.80 2.35 0.14 0.32 115.58 115.85 1b9i h ASN 306 Ca 0.29 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.85 1b9i h ASN 306 Cb 0.25 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1b9i h ASN 306 CO -0.22 0.56 -0.55 0.00 -1.65 0.00 0.00 177.43 175.56 1b9i h ALA 307 N 1.58 0.63 -0.11 -0.83 0.00 -0.89 -1.42 119.26 118.21 1b9i h ALA 307 Ca 0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1b9i h ALA 307 Cb -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1b9i h ALA 307 CO -0.06 0.69 -0.02 1.25 0.00 0.00 0.00 179.25 181.11 1b9i h LEU 308 N 0.50 0.21 -0.68 0.00 5.85 0.28 -1.17 115.31 120.30 1b9i h LEU 308 Ca 0.01 -0.36 0.13 0.00 0.84 0.00 0.00 57.88 58.50 1b9i h LEU 308 Cb 1.11 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.96 1b9i h LEU 308 CO 0.11 0.52 -0.26 0.58 -0.34 0.00 0.00 178.44 179.05 1b9i h VAL 309 N -0.10 0.21 -0.83 1.05 2.07 -0.19 0.19 116.25 118.65 1b9i h VAL 309 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1b9i h VAL 309 Cb 0.42 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1b9i h VAL 309 CO 0.01 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.53 1b9i h ASP 310 N -0.08 0.74 -0.49 0.57 3.32 -1.10 0.15 116.42 119.53 1b9i h ASP 310 Ca 0.30 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1b9i h ASP 310 Cb 0.55 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1b9i h ASP 310 CO -0.73 0.44 0.02 0.03 -1.72 0.00 0.00 179.24 177.28 1b9i h ARG 311 N 0.86 0.91 -0.63 3.56 -0.00 0.31 -1.03 114.38 118.36 1b9i h ARG 311 Ca 0.39 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.98 59.56 1b9i h ARG 311 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.13 1b9i h ARG 311 CO -0.22 0.89 0.18 -0.07 0.00 0.00 0.00 179.97 180.76 1b9i h LEU 312 N 0.84 0.93 -0.90 3.04 3.38 0.85 -1.74 115.31 121.71 1b9i h LEU 312 Ca 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1b9i h LEU 312 Cb 0.48 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1b9i h LEU 312 CO 0.02 0.90 0.49 0.58 0.09 0.00 0.00 178.44 180.53 1b9i h VAL 313 N 0.91 1.26 0.00 1.22 2.07 -0.73 0.17 116.25 121.16 1b9i h VAL 313 Ca 0.20 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1b9i h VAL 313 Cb 0.32 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1b9i h VAL 313 CO -0.00 0.30 -0.11 -0.33 0.02 0.00 0.00 177.57 177.44 1b9i h GLU 314 N 1.27 0.00 -0.20 1.57 5.08 -0.85 -1.68 114.58 119.77 1b9i h GLU 314 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1b9i h GLU 314 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1b9i h GLU 314 CO -0.05 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 1b9i n ALA 315 N -2.40 2.50 -0.01 3.43 0.00 0.55 -4.88 120.51 119.71 1b9i n ALA 315 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1b9i n ALA 315 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1b9i n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9i n GLY 316 N 1.04 0.99 3.85 0.00 0.00 -0.63 -4.72 105.19 105.73 1b9i n GLY 316 Ca 0.14 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1b9i n GLY 316 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b9i s LEU 317 N 0.00 4.15 -1.35 0.99 1.43 -0.93 -4.84 118.68 118.14 1b9i s LEU 317 Ca 0.00 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1b9i s LEU 317 Cb 0.00 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 43.82 1b9i s LEU 317 CO 0.00 0.25 1.96 -0.81 0.23 0.00 0.00 176.35 177.98 1b9i n PRO 318 N 0.92 3.27 -4.59 1.29 -0.04 -1.26 -3.72 135.00 130.87 1b9i n PRO 318 Ca -0.11 -3.18 -0.32 0.00 -0.04 0.00 0.00 63.50 59.86 1b9i n PRO 318 Cb 0.52 -3.12 -0.12 0.00 -0.04 0.00 0.00 33.50 30.75 1b9i n PRO 318 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b9i s ALA 319 N 1.88 2.82 0.10 0.55 0.00 -1.26 -1.20 121.76 124.66 1b9i s ALA 319 Ca 0.44 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1b9i s ALA 319 Cb 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1b9i s ALA 319 CO -0.03 0.59 -0.11 -0.06 0.00 0.00 0.00 175.76 176.16 1b9i s PHE 320 N -0.93 1.13 0.54 0.00 0.08 -0.21 -4.77 117.98 113.82 1b9i s PHE 320 Ca 0.15 -0.64 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 1b9i s PHE 320 Cb -0.11 -0.61 -0.06 0.00 -0.57 0.00 0.00 43.02 41.67 1b9i s PHE 320 CO 0.06 0.03 1.08 0.00 -0.10 0.00 0.00 175.22 176.29 1b9i s ALA 321 N -2.44 2.74 0.69 5.36 0.00 -1.26 -1.28 121.76 125.58 1b9i s ALA 321 Ca 0.07 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1b9i s ALA 321 Cb -0.03 -3.30 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1b9i s ALA 321 CO 0.01 -0.66 0.97 0.00 0.00 0.00 0.00 175.76 176.07 1b9i s ALA 322 N -2.00 3.52 0.59 0.00 0.00 -1.02 -4.76 121.76 118.09 1b9i s ALA 322 Ca 0.69 -1.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1b9i s ALA 322 Cb -0.20 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 1b9i s ALA 322 CO 0.27 -1.33 0.61 1.19 0.00 0.00 0.00 175.76 176.50 1b9i n PHE 323 N -2.81 -0.42 -3.12 0.00 3.72 -1.26 -4.96 117.46 108.61 1b9i n PHE 323 Ca 0.12 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.60 1b9i n PHE 323 Cb 0.60 -1.98 -0.06 0.00 -0.94 0.00 0.00 39.48 37.10 1b9i n PHE 323 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1b9i s ARG 324 N -2.27 4.19 0.08 -1.08 3.52 -1.26 -4.45 118.95 117.68 1b9i s ARG 324 Ca 0.70 0.81 -0.35 0.00 -0.13 0.00 0.00 55.73 56.77 1b9i s ARG 324 Cb -0.43 -2.79 -0.14 0.00 -1.56 0.00 0.00 34.95 30.03 1b9i s ARG 324 CO 0.53 0.35 1.61 0.00 -0.81 0.00 0.00 175.30 176.99 1b9i n ALA 325 N 0.51 0.90 0.28 6.12 0.00 -1.26 -4.61 120.51 122.45 1b9i n ALA 325 Ca -0.01 0.42 0.14 0.00 0.00 0.00 0.00 53.44 53.99 1b9i n ALA 325 Cb 0.51 -2.34 0.83 0.00 0.00 0.00 0.00 19.45 18.46 1b9i n ALA 325 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1b9i h ILE 326 N 4.01 0.57 0.00 0.00 3.07 -1.52 0.29 117.51 123.92 1b9i h ILE 326 Ca -0.46 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1b9i h ILE 326 Cb 1.27 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1b9i h ILE 326 CO 0.89 0.05 0.00 0.00 -1.05 0.00 0.00 178.15 178.04 1b9i n TYR 327 N -3.79 0.00 -0.90 0.16 0.18 -1.26 -2.28 117.16 109.27 1b9i n TYR 327 Ca -0.03 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.83 1b9i n TYR 327 Cb 0.14 -0.32 0.33 0.00 -0.38 0.00 0.00 39.34 39.12 1b9i n TYR 327 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1b9i n ARG 328 N -1.32 3.88 -4.39 -3.48 1.74 0.10 -4.93 116.66 108.26 1b9i n ARG 328 Ca 0.10 -2.97 -0.33 0.00 -0.77 0.00 0.00 57.85 53.88 1b9i n ARG 328 Cb 0.19 -2.02 -0.10 0.00 -1.02 0.00 0.00 32.46 29.52 1b9i n ARG 328 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1b9i s THR 329 N -2.66 3.97 0.28 0.55 -4.23 -0.97 -4.95 115.64 107.64 1b9i s THR 329 Ca 0.48 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1b9i s THR 329 Cb 0.37 -2.73 0.27 0.00 1.34 0.00 0.00 72.50 71.75 1b9i s THR 329 CO 0.14 0.44 1.94 0.44 -0.54 0.00 0.00 174.62 177.04 1b9i h ASP 330 N 4.63 1.03 -0.79 3.99 3.32 -1.91 -3.04 116.42 123.64 1b9i h ASP 330 Ca -0.49 -0.02 0.19 0.00 0.02 0.00 0.00 57.03 56.73 1b9i h ASP 330 Cb 1.18 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 1b9i h ASP 330 CO 0.55 0.72 0.07 0.00 -1.72 0.00 0.00 179.24 178.86 1b9i h ALA 331 N 1.45 0.92 -0.92 3.45 0.00 -1.95 -0.16 119.26 122.04 1b9i h ALA 331 Ca 0.36 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.53 1b9i h ALA 331 Cb -0.05 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1b9i h ALA 331 CO -0.10 -0.43 0.60 0.35 0.00 0.00 0.00 179.25 179.68 1b9i h PHE 332 N 0.14 1.12 0.00 0.00 3.57 -1.76 -2.09 116.94 117.92 1b9i h PHE 332 Ca 0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1b9i h PHE 332 Cb 0.82 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1b9i h PHE 332 CO -0.38 0.66 -0.02 0.91 -2.23 0.00 0.00 178.31 177.25 1b9i n TRP 333 N -4.43 0.03 -0.04 0.41 7.02 -0.11 -4.20 117.44 116.11 1b9i n TRP 333 Ca 0.12 0.01 -0.10 0.00 -1.02 0.00 0.00 57.50 56.50 1b9i n TRP 333 Cb 0.09 -0.50 -0.04 0.00 -2.42 0.00 0.00 31.31 28.43 1b9i n TRP 333 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1b9i h GLU 334 N 0.00 0.25 -4.09 -0.99 4.81 -0.94 -3.42 114.58 110.19 1b9i h GLU 334 Ca 0.00 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1b9i h GLU 334 Cb 0.51 -0.05 -0.18 0.00 0.63 0.00 0.00 28.75 29.66 1b9i h GLU 334 CO 0.00 0.23 -0.67 -0.51 -0.73 0.00 0.00 179.01 177.33 1b9i s LEU 335 N -10.04 2.32 -1.79 1.64 1.02 -1.26 -4.91 118.68 105.66 1b9i s LEU 335 Ca -0.13 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.26 1b9i s LEU 335 Cb 0.08 0.21 0.00 0.00 0.02 0.00 0.00 46.19 46.49 1b9i s LEU 335 CO 0.69 -0.48 0.00 0.61 0.02 0.00 0.00 176.35 177.20 1b9i n GLY 336 N 0.75 1.06 3.75 -3.19 0.00 -1.26 -4.92 105.19 101.39 1b9i n GLY 336 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1b9i n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9i s ALA 337 N -2.62 2.83 0.56 4.61 0.00 -1.26 -3.17 121.76 122.71 1b9i s ALA 337 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1b9i s ALA 337 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1b9i s ALA 337 CO 0.00 -1.18 1.05 -1.25 0.00 0.00 0.00 175.76 174.37 1b9i s PRO 338 N -2.89 3.49 0.51 0.00 0.04 -1.26 -4.92 135.00 129.96 1b9i s PRO 338 Ca 0.70 1.21 0.17 0.00 0.04 0.00 0.00 61.00 63.12 1b9i s PRO 338 Cb -0.37 -2.06 1.28 0.00 0.04 0.00 0.00 34.50 33.39 1b9i s PRO 338 CO 0.43 -0.67 2.13 0.22 0.04 0.00 0.00 177.00 179.15 1b9i h ASP 339 N 0.72 0.00 -2.03 6.66 1.82 -1.97 -3.44 116.42 118.18 1b9i h ASP 339 Ca -0.47 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 55.70 1b9i h ASP 339 Cb 1.22 0.00 0.24 0.00 0.68 0.00 0.00 39.33 41.47 1b9i h ASP 339 CO 0.58 0.03 -1.44 -0.62 -1.61 0.00 0.00 179.24 176.19 1b9i n GLU 340 N -4.43 -1.28 -2.70 0.28 1.02 -1.26 -5.03 120.64 107.24 1b9i n GLU 340 Ca -0.03 -0.36 -0.22 0.00 -0.02 0.00 0.00 57.16 56.53 1b9i n GLU 340 Cb 0.12 -1.55 0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1b9i n GLU 340 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1b9i s SER 341 N -1.66 4.59 0.12 1.62 1.04 -1.26 -4.95 113.70 113.20 1b9i s SER 341 Ca 0.52 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 1b9i s SER 341 Cb -0.07 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1b9i s SER 341 CO 0.66 -1.68 1.52 0.58 0.98 0.00 0.00 173.24 175.29 1b9i h VAL 342 N -0.31 1.28 -0.04 5.02 2.07 -1.95 -2.49 116.25 119.82 1b9i h VAL 342 Ca -0.35 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 1b9i h VAL 342 Cb 1.27 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1b9i h VAL 342 CO 0.41 0.40 -0.46 0.44 0.02 0.00 0.00 177.57 178.38 1b9i h ASP 343 N 0.55 0.11 -0.49 0.57 3.32 -1.98 0.06 116.42 118.57 1b9i h ASP 343 Ca 0.09 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1b9i h ASP 343 Cb 0.65 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1b9i h ASP 343 CO 0.04 0.56 -0.01 0.00 -1.72 0.00 0.00 179.24 178.11 1b9i h ALA 344 N 1.44 0.66 -0.07 3.45 0.00 -1.92 0.38 119.26 123.20 1b9i h ALA 344 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1b9i h ALA 344 Cb 0.86 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1b9i h ALA 344 CO 0.07 0.48 -0.02 0.82 0.00 0.00 0.00 179.25 180.59 1b9i h ILE 345 N 0.72 1.30 -0.96 0.00 2.04 -1.23 -3.02 117.51 116.36 1b9i h ILE 345 Ca 0.14 -0.95 0.12 0.00 1.00 0.00 0.00 64.86 65.17 1b9i h ILE 345 Cb 0.53 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 38.33 1b9i h ILE 345 CO 0.03 0.26 0.59 0.00 0.00 0.00 0.00 178.15 179.02 1b9i h ALA 346 N 0.66 1.44 -0.96 1.87 0.00 -0.75 -2.30 119.26 119.22 1b9i h ALA 346 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1b9i h ALA 346 Cb 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1b9i h ALA 346 CO 0.01 0.16 0.62 0.00 0.00 0.00 0.00 179.25 180.03 1b9i h ARG 347 N 0.92 1.11 -0.53 0.00 3.08 -0.12 0.06 114.38 118.90 1b9i h ARG 347 Ca 0.48 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1b9i h ARG 347 Cb 0.50 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1b9i h ARG 347 CO -0.28 0.73 0.00 2.89 -1.07 0.00 0.00 179.97 182.25 1b9i n ARG 348 N -4.52 2.36 -3.01 0.04 1.85 -0.91 -4.21 116.66 108.25 1b9i n ARG 348 Ca 0.14 -1.56 -0.16 0.00 -1.00 0.00 0.00 57.85 55.26 1b9i n ARG 348 Cb 0.15 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 30.03 1b9i n ARG 348 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1b9i h PRO 350 N 2.99 0.46 -0.07 0.00 0.13 -1.72 0.11 132.00 133.89 1b9i h PRO 350 Ca 0.05 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1b9i h PRO 350 Cb 0.99 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1b9i h PRO 350 CO 0.53 0.59 -0.10 -0.91 -0.23 0.00 0.00 178.00 177.89 1b9i h ASN 351 N 0.43 0.21 -0.46 1.44 2.35 -1.92 -2.65 115.58 114.97 1b9i h ASN 351 Ca 0.08 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.38 1b9i h ASN 351 Cb 0.49 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 1b9i h ASN 351 CO 0.03 0.68 0.11 0.74 -1.65 0.00 0.00 177.43 177.35 1b9i h THR 352 N -0.27 0.78 -0.93 2.81 2.02 -1.74 0.49 112.91 116.07 1b9i h THR 352 Ca 0.01 -0.09 0.22 0.00 0.77 0.00 0.00 66.41 67.32 1b9i h THR 352 Cb 0.64 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1b9i h THR 352 CO 0.02 0.05 0.62 -0.78 0.37 0.00 0.00 175.52 175.80 1b9i h ASP 353 N 0.26 0.40 0.12 4.18 3.58 -0.95 0.67 116.42 124.68 1b9i h ASP 353 Ca 0.22 0.05 -0.30 0.00 0.42 0.00 0.00 57.03 57.42 1b9i h ASP 353 Cb 0.27 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1b9i h ASP 353 CO -0.27 0.15 -1.55 0.00 -2.88 0.00 0.00 179.24 174.68 1b9i h ALA 354 N 1.61 0.23 -0.80 -0.78 0.00 -0.86 -3.29 119.26 115.36 1b9i h ALA 354 Ca 0.49 -1.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1b9i h ALA 354 Cb 1.26 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1b9i h ALA 354 CO -0.19 0.93 0.33 0.82 0.00 0.00 0.00 179.25 181.14 1b9i h ILE 355 N -0.23 1.26 -0.93 0.00 2.04 0.22 0.22 117.51 120.09 1b9i h ILE 355 Ca -0.33 -0.81 0.26 0.00 1.00 0.00 0.00 64.86 64.98 1b9i h ILE 355 Cb 1.82 0.30 -0.14 0.00 -0.74 0.00 0.00 36.82 38.06 1b9i h ILE 355 CO 0.06 0.33 0.40 -1.28 0.00 0.00 0.00 178.15 177.66 1b9i h SER 356 N 1.15 0.28 0.71 1.72 0.87 0.16 -1.72 113.55 116.72 1b9i h SER 356 Ca 0.27 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.99 1b9i h SER 356 Cb 0.20 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1b9i h SER 356 CO -0.02 -0.10 -1.30 -1.20 -0.53 0.00 0.00 176.83 173.68 1b9i n SER 357 N -5.11 0.63 -0.04 6.23 7.64 -0.66 -4.63 113.62 117.67 1b9i n SER 357 Ca 0.25 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1b9i n SER 357 Cb 0.78 0.82 0.01 0.00 -1.01 0.00 0.00 64.21 64.82 1b9i n SER 357 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1b9i n ASP 358 N -2.59 2.01 -4.58 6.43 5.68 -0.02 -3.27 116.55 120.21 1b9i n ASP 358 Ca -0.02 -1.94 -0.34 0.00 -0.50 0.00 0.00 54.79 51.98 1b9i n ASP 358 Cb 0.58 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 1b9i n ASP 358 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b9i s VAL 360 N 0.26 3.01 0.06 0.00 1.01 -0.08 -2.42 120.40 122.24 1b9i s VAL 360 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1b9i s VAL 360 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1b9i s VAL 360 CO 0.02 0.21 -0.07 -1.66 0.00 0.00 0.00 175.10 173.60 1b9i s TRP 361 N -1.07 0.73 0.14 5.22 1.48 -0.40 -0.28 118.94 124.76 1b9i s TRP 361 Ca 0.17 -0.66 0.10 0.00 -1.06 0.00 0.00 56.10 54.65 1b9i s TRP 361 Cb -0.11 -0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 31.73 1b9i s TRP 361 CO 0.09 -0.12 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.15 1b9i s LEU 362 N -2.13 2.60 0.35 -4.66 1.43 -0.27 -1.04 118.68 114.94 1b9i s LEU 362 Ca -0.02 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1b9i s LEU 362 Cb -0.04 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.64 1b9i s LEU 362 CO -0.02 0.16 1.53 -2.28 0.23 0.00 0.00 176.35 175.98 1b9i s HIS 363 N -1.25 2.63 -0.78 0.29 5.65 -0.34 -2.19 115.29 119.30 1b9i s HIS 363 Ca 0.18 1.02 0.00 0.00 0.25 0.00 0.00 55.06 56.51 1b9i s HIS 363 Cb -0.10 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.25 1b9i s HIS 363 CO 0.10 -3.25 0.88 -2.39 -0.65 0.00 0.00 174.74 169.42 1b9i n HIS 364 N 1.08 0.00 0.23 3.88 1.44 -1.23 -1.33 115.22 119.28 1b9i n HIS 364 Ca 0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.85 1b9i n HIS 364 Cb 0.38 -0.38 0.50 0.00 0.12 0.00 0.00 29.99 30.62 1b9i n HIS 364 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 1b9i h ARG 365 N 0.00 0.00 -0.32 -1.40 0.11 -1.89 -2.03 114.38 108.85 1b9i h ARG 365 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1b9i h ARG 365 Cb 0.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 1b9i h ARG 365 CO 0.00 0.20 -0.07 0.28 0.10 0.00 0.00 179.97 180.48 1b9i h VAL 366 N 0.00 1.22 0.00 0.08 2.07 -1.53 -3.14 116.25 114.96 1b9i h VAL 366 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1b9i h VAL 366 Cb 0.69 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1b9i h VAL 366 CO 0.03 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.11 1b9i n LEU 367 N -4.23 0.00 -0.00 2.57 4.77 -0.76 -1.38 117.00 117.96 1b9i n LEU 367 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1b9i n LEU 367 Cb 0.30 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1b9i n LEU 367 CO 0.40 0.00 -0.36 0.18 -1.33 0.00 0.00 177.39 176.28 1b9i n LEU 368 N -0.90 0.40 -4.85 2.23 4.77 -1.19 -3.22 117.00 114.25 1b9i n LEU 368 Ca 0.14 -0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 1b9i n LEU 368 Cb 0.07 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 1b9i n LEU 368 CO 0.11 0.10 0.80 0.00 -1.33 0.00 0.00 177.39 177.07 1b9i s ALA 369 N -2.85 1.96 0.86 -1.18 0.00 -0.48 -4.84 121.76 115.24 1b9i s ALA 369 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1b9i s ALA 369 Cb 0.12 -2.86 0.11 0.00 0.00 0.00 0.00 23.12 20.49 1b9i s ALA 369 CO 0.69 -2.49 1.09 0.20 0.00 0.00 0.00 175.76 175.25 1b9i s GLY 370 N -4.55 1.62 0.19 0.00 0.00 -1.26 -4.92 107.32 98.39 1b9i s GLY 370 Ca 0.70 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.22 1b9i s GLY 370 CO 0.53 0.39 1.83 0.83 0.00 0.00 0.00 173.10 176.67 1b9i h GLU 371 N -1.41 0.67 -0.75 2.90 5.08 -1.98 -2.23 114.58 116.87 1b9i h GLU 371 Ca -0.48 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1b9i h GLU 371 Cb 1.28 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 1b9i h GLU 371 CO 0.55 0.45 0.23 -1.35 -1.00 0.00 0.00 179.01 177.89 1b9i h PRO 372 N 0.70 0.32 -0.13 2.33 0.11 -2.00 0.16 132.00 133.49 1b9i h PRO 372 Ca 0.23 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1b9i h PRO 372 Cb 0.02 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1b9i h PRO 372 CO -0.10 0.21 -0.47 0.93 -0.21 0.00 0.00 178.00 178.36 1b9i h GLU 373 N 0.33 0.32 -0.05 1.05 3.07 -1.78 -0.39 114.58 117.12 1b9i h GLU 373 Ca 0.42 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 1b9i h GLU 373 Cb 0.71 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1b9i h GLU 373 CO -0.48 0.72 -0.37 -0.07 -1.40 0.00 0.00 179.01 177.42 1b9i h LEU 374 N 0.26 0.10 -0.15 1.33 3.38 -0.27 -0.17 115.31 119.79 1b9i h LEU 374 Ca 0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1b9i h LEU 374 Cb 0.92 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1b9i h LEU 374 CO 0.08 0.46 -0.05 0.45 0.09 0.00 0.00 178.44 179.47 1b9i h HIS 375 N 0.09 0.35 -0.47 1.13 3.86 -0.97 -1.98 115.15 117.15 1b9i h HIS 375 Ca 0.01 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1b9i h HIS 375 Cb 0.69 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1b9i h HIS 375 CO 0.00 0.60 0.14 0.00 0.86 0.00 0.00 177.93 179.53 1b9i h ALA 376 N 0.70 1.36 0.28 2.45 0.00 -0.85 -1.59 119.26 121.61 1b9i h ALA 376 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1b9i h ALA 376 Cb 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b9i h ALA 376 CO 0.02 0.46 -0.13 1.15 0.00 0.00 0.00 179.25 180.75 1b9i h THR 377 N 0.69 0.77 0.00 0.00 2.02 -1.00 -2.27 112.91 113.12 1b9i h THR 377 Ca 0.16 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1b9i h THR 377 Cb 0.21 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1b9i h THR 377 CO -0.01 0.08 -0.11 0.00 0.37 0.00 0.00 175.52 175.85 1b9i h ALA 378 N 0.11 1.64 0.06 6.16 0.00 -1.25 -0.53 119.26 125.45 1b9i h ALA 378 Ca -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b9i h ALA 378 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b9i h ALA 378 CO 0.06 0.14 -0.03 0.93 0.00 0.00 0.00 179.25 180.35 1b9i h GLU 379 N 0.00 -0.07 -0.73 0.00 5.08 -1.11 0.21 114.58 117.95 1b9i h GLU 379 Ca -0.00 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1b9i h GLU 379 Cb 0.22 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 1b9i h GLU 379 CO 0.01 0.18 0.30 0.82 -1.00 0.00 0.00 179.01 179.33 1b9i h ILE 380 N -0.33 0.70 -0.62 3.13 2.04 -0.95 0.14 117.51 121.63 1b9i h ILE 380 Ca -0.01 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1b9i h ILE 380 Cb 0.29 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1b9i h ILE 380 CO 0.01 0.09 0.13 0.40 0.00 0.00 0.00 178.15 178.78 1b9i h ILE 381 N 0.47 1.26 -0.51 -0.67 2.04 -0.81 -1.43 117.51 117.85 1b9i h ILE 381 Ca 0.39 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1b9i h ILE 381 Cb 0.55 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1b9i h ILE 381 CO -0.37 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.14 1b9i h ALA 382 N 1.04 0.69 0.47 1.87 0.00 0.13 -0.63 119.26 122.83 1b9i h ALA 382 Ca 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1b9i h ALA 382 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1b9i h ALA 382 CO 0.01 0.50 -0.25 -0.44 0.00 0.00 0.00 179.25 179.07 1b9i h ASP 383 N 0.77 -0.60 -0.84 0.00 5.19 -1.03 -2.79 116.42 117.12 1b9i h ASP 383 Ca 0.15 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1b9i h ASP 383 Cb 0.52 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 1b9i h ASP 383 CO 0.03 -0.41 0.56 0.00 -3.12 0.00 0.00 179.24 176.29 1b9i h ALA 384 N -0.15 1.41 0.00 3.45 0.00 -1.23 0.52 119.26 123.27 1b9i h ALA 384 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b9i h ALA 384 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1b9i h ALA 384 CO 0.09 0.54 0.00 0.28 0.00 0.00 0.00 179.25 180.16 1b9i h VAL 385 N 1.12 0.00 -0.31 0.00 2.07 -1.06 -2.15 116.25 115.92 1b9i h VAL 385 Ca 0.31 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1b9i h VAL 385 Cb -0.11 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1b9i h VAL 385 CO -0.07 0.00 -0.51 1.23 0.02 0.00 0.00 177.57 178.24 1b9i h GLY 386 N 1.89 0.97 0.13 2.17 0.00 -0.61 -2.72 103.07 104.90 1b9i h GLY 386 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.23 1b9i h GLY 386 CO 0.00 0.99 -0.09 0.54 0.00 0.00 0.00 176.54 177.98 1b9i n ARG 387 N -4.02 1.20 0.00 4.80 1.74 -0.90 -5.13 116.66 114.34 1b9i n ARG 387 Ca -0.04 -0.60 0.10 0.00 -0.77 0.00 0.00 57.85 56.54 1b9i n ARG 387 Cb 0.61 -1.49 0.57 0.00 -1.02 0.00 0.00 32.46 31.13 1b9i n ARG 387 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11