#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9x n SER 2 N 0.00 0.35 -3.83 6.12 7.64 -1.26 -5.14 113.62 117.51 1b9x n SER 2 Ca 0.00 -1.29 -0.12 0.00 1.01 0.00 0.00 58.87 58.47 1b9x n SER 2 Cb 0.00 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 1b9x n SER 2 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1b9x s GLU 3 N -2.99 0.38 0.00 1.43 2.12 -1.26 -5.06 118.70 113.32 1b9x s GLU 3 Ca 0.16 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1b9x s GLU 3 Cb -0.01 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1b9x s GLU 3 CO 0.11 -0.08 0.00 1.28 -0.54 0.00 0.00 175.26 176.03 1b9x n LEU 4 N 2.18 0.52 -0.35 2.70 4.77 -1.26 -4.59 117.00 120.97 1b9x n LEU 4 Ca -0.18 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.05 1b9x n LEU 4 Cb 0.57 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.16 1b9x n LEU 4 CO 0.20 -0.00 1.17 0.44 -1.33 0.00 0.00 177.39 177.87 1b9x h ASP 5 N 0.00 0.48 -0.20 -1.43 3.32 -1.99 0.49 116.42 117.09 1b9x h ASP 5 Ca 0.00 0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 1b9x h ASP 5 Cb 0.77 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1b9x h ASP 5 CO 0.00 -0.04 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.39 1b9x h GLN 6 N 0.35 0.68 0.00 3.56 4.15 -2.01 -2.69 115.11 119.15 1b9x h GLN 6 Ca 0.70 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1b9x h GLN 6 Cb 1.71 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1b9x h GLN 6 CO -0.47 1.08 0.00 1.25 -1.93 0.00 0.00 178.83 178.76 1b9x h LEU 7 N 0.39 0.00 0.00 -2.39 5.85 -0.40 0.11 115.31 118.87 1b9x h LEU 7 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1b9x h LEU 7 Cb 1.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1b9x h LEU 7 CO 0.10 0.00 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.04 1b9x h ARG 8 N 0.00 0.00 0.05 1.25 2.43 -0.53 -3.30 114.38 114.28 1b9x h ARG 8 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 1b9x h ARG 8 Cb 0.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1b9x h ARG 8 CO 0.00 0.02 -1.67 1.96 -1.51 0.00 0.00 179.97 178.77 1b9x h GLN 9 N 0.00 0.10 0.00 0.20 1.08 -0.75 -3.26 115.11 112.49 1b9x h GLN 9 Ca -0.00 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1b9x h GLN 9 Cb 1.02 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1b9x h GLN 9 CO 0.00 0.81 -0.20 1.49 -0.95 0.00 0.00 178.83 179.97 1b9x h GLU 10 N 0.03 0.00 -0.25 1.46 4.81 -1.58 -0.34 114.58 118.71 1b9x h GLU 10 Ca -0.28 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1b9x h GLU 10 Cb 2.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1b9x h GLU 10 CO 0.10 0.20 -0.09 0.00 -0.73 0.00 0.00 179.01 178.50 1b9x h ALA 11 N 1.80 0.34 -0.18 2.92 0.00 -1.66 -1.44 119.26 121.04 1b9x h ALA 11 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1b9x h ALA 11 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b9x h ALA 11 CO 0.03 0.17 -0.53 0.93 0.00 0.00 0.00 179.25 179.85 1b9x h GLU 12 N 0.23 0.53 -0.23 0.00 4.39 -1.41 0.09 114.58 118.17 1b9x h GLU 12 Ca 0.06 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.30 1b9x h GLU 12 Cb 0.57 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1b9x h GLU 12 CO 0.03 0.93 -0.43 0.37 -1.16 0.00 0.00 179.01 178.74 1b9x h GLN 13 N 0.41 0.56 -0.30 2.33 4.15 -1.06 0.36 115.11 121.56 1b9x h GLN 13 Ca 0.01 -0.30 -0.06 0.00 0.77 0.00 0.00 58.65 59.07 1b9x h GLN 13 Cb 1.06 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1b9x h GLN 13 CO 0.10 0.89 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.75 1b9x h LEU 14 N 0.46 0.57 -0.75 -2.39 3.38 -1.08 0.12 115.31 115.62 1b9x h LEU 14 Ca 0.03 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1b9x h LEU 14 Cb 0.94 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1b9x h LEU 14 CO 0.08 0.80 0.47 0.11 0.09 0.00 0.00 178.44 180.00 1b9x h LYS 15 N 0.33 0.90 -0.83 1.13 1.57 -0.71 -0.24 116.57 118.72 1b9x h LYS 15 Ca 0.08 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1b9x h LYS 15 Cb 0.55 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 1b9x h LYS 15 CO 0.03 0.60 0.49 -0.97 -0.57 0.00 0.00 179.45 179.03 1b9x h ASN 16 N 0.93 0.74 -0.65 0.86 -1.24 0.25 -0.06 115.58 116.40 1b9x h ASN 16 Ca 0.30 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.26 1b9x h ASN 16 Cb 0.01 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 1b9x h ASN 16 CO -0.11 0.45 0.09 1.56 -1.29 0.00 0.00 177.43 178.13 1b9x h GLN 17 N 0.86 1.09 -0.48 6.67 4.20 0.85 -2.53 115.11 125.78 1b9x h GLN 17 Ca 0.38 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1b9x h GLN 17 Cb 0.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1b9x h GLN 17 CO -0.21 1.01 -0.08 0.82 -0.67 0.00 0.00 178.83 179.70 1b9x h ILE 18 N 1.01 1.26 -0.52 2.54 2.04 -0.17 -1.45 117.51 122.21 1b9x h ILE 18 Ca 0.20 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1b9x h ILE 18 Cb 0.46 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1b9x h ILE 18 CO 0.02 0.40 0.31 0.03 0.00 0.00 0.00 178.15 178.91 1b9x h ARG 19 N 0.78 0.60 -0.46 2.37 3.08 -0.77 -1.03 114.38 118.94 1b9x h ARG 19 Ca 0.13 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1b9x h ARG 19 Cb 0.58 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1b9x h ARG 19 CO 0.04 0.39 0.01 -0.44 -1.07 0.00 0.00 179.97 178.90 1b9x h ASP 20 N 0.61 0.78 -1.00 7.04 3.32 -1.07 0.10 116.42 126.21 1b9x h ASP 20 Ca 0.21 -0.30 0.11 0.00 0.02 0.00 0.00 57.03 57.07 1b9x h ASP 20 Cb 0.03 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.29 1b9x h ASP 20 CO -0.10 0.89 0.64 0.00 -1.72 0.00 0.00 179.24 178.95 1b9x h ALA 21 N 0.92 1.50 0.19 3.45 0.00 -0.82 -0.58 119.26 123.92 1b9x h ALA 21 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1b9x h ALA 21 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b9x h ALA 21 CO 0.02 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1b9x h ARG 22 N 1.03 -0.25 -0.04 0.00 3.08 -0.77 -3.08 114.38 114.36 1b9x h ARG 22 Ca 0.48 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.56 1b9x h ARG 22 Cb 0.42 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1b9x h ARG 22 CO -0.24 0.15 0.32 -0.22 -1.07 0.00 0.00 179.97 178.91 1b9x h LYS 23 N -0.76 0.00 0.00 0.04 3.11 -0.32 0.85 116.57 119.50 1b9x h LYS 23 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1b9x h LYS 23 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1b9x h LYS 23 CO 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.68 1b9x h ALA 24 N 1.39 1.00 -0.01 5.00 0.00 -1.02 -3.13 119.26 122.50 1b9x h ALA 24 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b9x h ALA 24 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1b9x h ALA 24 CO -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 1b9x n ALA 26 N -0.02 5.44 0.07 0.00 0.00 -1.04 -4.59 120.51 120.36 1b9x n ALA 26 Ca 0.05 -3.90 -0.12 0.00 0.00 0.00 0.00 53.44 49.47 1b9x n ALA 26 Cb 0.24 -3.52 -0.13 0.00 0.00 0.00 0.00 19.45 16.04 1b9x n ALA 26 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1b9x h ASP 27 N 6.07 0.24 -5.04 0.00 2.03 -1.86 -3.48 116.42 114.37 1b9x h ASP 27 Ca 0.56 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 56.52 1b9x h ASP 27 Cb 0.65 -0.08 -0.15 0.00 -0.83 0.00 0.00 39.33 38.93 1b9x h ASP 27 CO 1.85 1.22 -0.03 0.00 -1.03 0.00 0.00 179.24 181.26 1b9x s ALA 28 N -2.66 -1.11 0.37 4.15 0.00 -1.26 -5.17 121.76 116.07 1b9x s ALA 28 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1b9x s ALA 28 Cb 0.08 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1b9x s ALA 28 CO 0.85 -0.56 0.58 0.99 0.00 0.00 0.00 175.76 177.62 1b9x s THR 29 N -3.03 4.90 0.24 0.00 2.01 -1.26 -5.01 115.64 113.49 1b9x s THR 29 Ca -0.02 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1b9x s THR 29 Cb 0.00 -3.79 0.24 0.00 0.01 0.00 0.00 72.50 68.95 1b9x s THR 29 CO -0.06 -0.54 1.91 0.25 -0.69 0.00 0.00 174.62 175.49 1b9x h LEU 30 N 0.66 1.07 -1.85 4.42 5.85 -1.87 -2.44 115.31 121.15 1b9x h LEU 30 Ca -0.49 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.27 1b9x h LEU 30 Cb 1.22 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1b9x h LEU 30 CO 0.61 0.77 0.23 0.77 -0.34 0.00 0.00 178.44 180.47 1b9x h SER 31 N 1.26 0.16 0.08 1.25 4.64 -1.84 -1.91 113.55 117.20 1b9x h SER 31 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1b9x h SER 31 Cb -0.11 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1b9x h SER 31 CO -0.09 0.10 -0.04 1.56 -0.87 0.00 0.00 176.83 177.50 1b9x h GLN 32 N 0.18 -0.11 0.00 4.77 4.20 -1.80 -1.71 115.11 120.64 1b9x h GLN 32 Ca 0.15 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1b9x h GLN 32 Cb 0.36 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1b9x h GLN 32 CO -0.02 -0.03 -0.16 0.82 -0.67 0.00 0.00 178.83 178.77 1b9x h ILE 33 N -0.16 0.50 -0.71 2.54 1.08 -1.45 -2.89 117.51 116.42 1b9x h ILE 33 Ca -0.01 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1b9x h ILE 33 Cb 0.13 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1b9x h ILE 33 CO 0.02 0.16 0.00 0.35 -0.69 0.00 0.00 178.15 177.99 1b9x n THR 34 N -3.46 1.35 0.32 -0.27 -2.24 -0.78 -4.52 114.28 104.68 1b9x n THR 34 Ca -0.01 -1.07 0.21 0.00 -2.27 0.00 0.00 64.05 60.91 1b9x n THR 34 Cb 0.33 0.34 1.07 0.00 -2.10 0.00 0.00 70.33 69.96 1b9x n THR 34 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1b9x h ASN 35 N 4.26 0.00 0.00 3.42 -1.24 -1.09 -2.08 115.58 118.84 1b9x h ASN 35 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1b9x h ASN 35 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1b9x h ASN 35 CO 0.10 0.00 -1.09 -0.46 -1.29 0.00 0.00 177.43 174.70 1b9x n ASN 36 N -3.12 0.82 -4.76 1.15 6.94 -1.26 -4.95 115.26 110.07 1b9x n ASN 36 Ca -0.02 -0.75 -0.41 0.00 -0.02 0.00 0.00 54.58 53.38 1b9x n ASN 36 Cb 0.14 1.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.72 1b9x n ASN 36 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1b9x s ILE 37 N -2.89 2.57 0.21 1.53 -1.09 -0.79 -4.95 121.20 115.80 1b9x s ILE 37 Ca 0.04 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.69 1b9x s ILE 37 Cb 0.14 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 1b9x s ILE 37 CO 0.78 0.11 1.30 -1.81 -1.23 0.00 0.00 174.94 174.09 1b9x s ASP 38 N -0.06 6.90 0.71 3.58 1.01 -1.26 -5.00 116.67 122.55 1b9x s ASP 38 Ca 0.54 2.41 -0.13 0.00 0.71 0.00 0.00 52.55 56.07 1b9x s ASP 38 Cb -0.42 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 40.93 1b9x s ASP 38 CO 0.50 -0.52 1.12 -2.16 0.21 0.00 0.00 175.17 174.32 1b9x s PRO 39 N -0.21 2.50 0.74 8.23 0.04 -1.26 -4.99 135.00 140.05 1b9x s PRO 39 Ca 0.56 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1b9x s PRO 39 Cb -0.36 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1b9x s PRO 39 CO 0.39 -1.48 1.08 0.14 0.04 0.00 0.00 177.00 177.17 1b9x s VAL 40 N -2.48 3.58 0.86 -0.36 -7.23 -1.26 -5.02 120.40 108.49 1b9x s VAL 40 Ca 0.66 0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 61.23 1b9x s VAL 40 Cb -0.20 -3.28 0.11 0.00 0.56 0.00 0.00 36.38 33.57 1b9x s VAL 40 CO 0.47 -0.67 1.10 -0.83 -0.31 0.00 0.00 175.10 174.85 1b9x s GLY 41 N -3.89 1.65 0.07 2.32 0.00 -1.26 -4.87 107.32 101.33 1b9x s GLY 41 Ca 0.59 0.15 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 1b9x s GLY 41 CO 0.54 0.58 1.88 -1.60 0.00 0.00 0.00 173.10 174.51 1b9x s ARG 42 N -4.86 4.15 -0.32 2.90 3.52 -1.26 -4.91 118.95 118.17 1b9x s ARG 42 Ca 0.63 2.57 -0.27 0.00 -0.13 0.00 0.00 55.73 58.53 1b9x s ARG 42 Cb -0.19 -3.91 0.01 0.00 -1.56 0.00 0.00 34.95 29.31 1b9x s ARG 42 CO 0.57 -0.89 0.95 0.42 -0.81 0.00 0.00 175.30 175.54 1b9x s ILE 43 N 3.68 4.63 -0.34 4.11 -1.09 -0.81 -4.99 121.20 126.39 1b9x s ILE 43 Ca 0.84 1.48 -0.01 0.00 -2.23 0.00 0.00 60.65 60.73 1b9x s ILE 43 Cb -0.43 -4.31 0.12 0.00 -1.58 0.00 0.00 42.46 36.26 1b9x s ILE 43 CO 0.38 -0.40 0.16 -1.10 -1.23 0.00 0.00 174.94 172.75 1b9x s GLN 44 N 3.37 0.66 0.29 2.79 -0.21 -1.26 -4.08 119.66 121.22 1b9x s GLN 44 Ca 0.40 -1.18 -0.16 0.00 0.02 0.00 0.00 55.36 54.44 1b9x s GLN 44 Cb -0.13 -1.70 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 1b9x s GLN 44 CO 0.14 -1.08 0.72 -1.64 -2.12 0.00 0.00 175.29 171.32 1b9x s MET 45 N 1.36 4.05 0.09 2.91 -1.94 -1.26 -5.02 119.30 119.49 1b9x s MET 45 Ca 0.13 0.70 0.10 0.00 -1.71 0.00 0.00 55.69 54.90 1b9x s MET 45 Cb -0.20 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 1b9x s MET 45 CO -0.17 0.22 -0.26 0.50 -0.01 0.00 0.00 175.02 175.30 1b9x s ARG 46 N -2.74 1.53 0.00 2.03 3.52 0.43 -4.79 118.95 118.94 1b9x s ARG 46 Ca 0.51 -1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1b9x s ARG 46 Cb -0.12 -1.85 -0.05 0.00 -1.56 0.00 0.00 34.95 31.37 1b9x s ARG 46 CO 0.18 0.46 1.40 0.99 -0.81 0.00 0.00 175.30 177.52 1b9x s THR 47 N -0.94 3.71 -0.11 4.11 2.01 -1.26 -1.80 115.64 121.36 1b9x s THR 47 Ca 0.12 1.10 0.10 0.00 0.31 0.00 0.00 61.69 63.32 1b9x s THR 47 Cb -0.10 -3.70 -0.14 0.00 0.01 0.00 0.00 72.50 68.56 1b9x s THR 47 CO 0.04 -0.00 0.05 0.54 -0.69 0.00 0.00 174.62 174.56 1b9x n ARG 48 N 5.37 2.05 -4.01 4.92 5.12 -0.09 -4.98 116.66 125.03 1b9x n ARG 48 Ca 0.13 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.94 1b9x n ARG 48 Cb 0.44 -1.29 -0.11 0.00 -1.16 0.00 0.00 32.46 30.33 1b9x n ARG 48 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1b9x s ARG 49 N -2.30 0.39 -0.13 5.56 1.81 -1.24 -4.99 118.95 118.05 1b9x s ARG 49 Ca -0.06 -0.68 -0.01 0.00 -1.72 0.00 0.00 55.73 53.27 1b9x s ARG 49 Cb 0.04 -0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.55 1b9x s ARG 49 CO 0.47 -0.02 -0.05 0.99 -0.68 0.00 0.00 175.30 176.01 1b9x s THR 50 N -1.51 0.90 -0.36 0.02 2.01 -1.26 -2.07 115.64 113.36 1b9x s THR 50 Ca -0.13 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 1b9x s THR 50 Cb -0.09 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 1b9x s THR 50 CO -0.01 0.24 0.43 -0.76 -0.69 0.00 0.00 174.62 173.84 1b9x s LEU 51 N 1.75 4.50 -0.15 4.42 1.43 0.18 -4.95 118.68 125.86 1b9x s LEU 51 Ca 0.03 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1b9x s LEU 51 Cb -0.14 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1b9x s LEU 51 CO -0.08 -0.45 0.04 -0.13 0.23 0.00 0.00 176.35 175.97 1b9x s ARG 52 N 2.18 3.69 0.00 1.70 0.52 -1.26 -2.90 118.95 122.87 1b9x s ARG 52 Ca 0.14 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1b9x s ARG 52 Cb -0.16 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1b9x s ARG 52 CO 0.13 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.26 1b9x n GLY 53 N 3.11 0.78 3.80 -3.53 0.00 -1.26 -5.02 105.19 103.07 1b9x n GLY 53 Ca -0.17 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1b9x n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b9x s HIS 54 N 0.00 3.11 -0.71 1.61 3.76 -1.26 -4.96 115.29 116.84 1b9x s HIS 54 Ca 0.00 1.59 0.13 0.00 -0.15 0.00 0.00 55.06 56.63 1b9x s HIS 54 Cb 0.00 -2.99 0.42 0.00 1.11 0.00 0.00 32.58 31.12 1b9x s HIS 54 CO 0.00 -0.58 1.35 1.28 -0.85 0.00 0.00 174.74 175.94 1b9x n LEU 55 N -0.83 3.42 -3.82 0.89 4.77 -1.26 -4.83 117.00 115.33 1b9x n LEU 55 Ca 0.08 -2.38 -0.08 0.00 -0.03 0.00 0.00 56.01 53.61 1b9x n LEU 55 Cb 0.53 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1b9x n LEU 55 CO 0.39 0.72 0.57 0.00 -1.33 0.00 0.00 177.39 177.74 1b9x s ALA 56 N -1.68 -0.93 0.20 -1.18 0.00 -1.26 -4.89 121.76 112.01 1b9x s ALA 56 Ca 0.32 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 1b9x s ALA 56 Cb 0.21 0.70 -0.16 0.00 0.00 0.00 0.00 23.12 23.88 1b9x s ALA 56 CO 0.14 -1.00 0.94 1.17 0.00 0.00 0.00 175.76 177.01 1b9x n LYS 57 N -0.54 0.80 -3.34 0.00 4.81 -1.23 -3.66 118.16 114.99 1b9x n LYS 57 Ca -0.07 0.28 -0.39 0.00 -0.87 0.00 0.00 58.31 57.26 1b9x n LYS 57 Cb 0.60 -1.61 -0.08 0.00 0.02 0.00 0.00 35.03 33.95 1b9x n LYS 57 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1b9x s ILE 58 N -0.62 5.15 -0.10 3.15 -1.09 0.43 -0.72 121.20 127.39 1b9x s ILE 58 Ca 0.68 0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 59.68 1b9x s ILE 58 Cb -0.87 -3.75 -0.27 0.00 -1.58 0.00 0.00 42.46 35.98 1b9x s ILE 58 CO 0.56 0.17 0.55 1.88 -1.23 0.00 0.00 174.94 176.86 1b9x h TYR 59 N 7.83 0.48 -2.73 3.97 0.99 -1.47 -3.41 116.97 122.64 1b9x h TYR 59 Ca -0.32 -0.35 -0.04 0.00 2.00 0.00 0.00 58.73 60.02 1b9x h TYR 59 Cb 1.16 -0.02 -0.14 0.00 1.00 0.00 0.00 36.73 38.72 1b9x h TYR 59 CO 0.73 1.60 0.18 0.00 -0.00 0.00 0.00 178.16 180.66 1b9x s ALA 60 N -2.50 -1.60 0.15 3.88 0.00 -1.14 -4.78 121.76 115.78 1b9x s ALA 60 Ca -0.20 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1b9x s ALA 60 Cb 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1b9x s ALA 60 CO 0.78 -0.64 0.20 0.00 0.00 0.00 0.00 175.76 176.10 1b9x s MET 61 N -2.96 1.08 -0.25 0.00 0.23 -1.26 -0.06 119.30 116.06 1b9x s MET 61 Ca -0.03 -1.27 -0.13 0.00 -1.03 0.00 0.00 55.69 53.23 1b9x s MET 61 Cb -0.01 0.33 0.09 0.00 -1.53 0.00 0.00 34.83 33.71 1b9x s MET 61 CO -0.06 -0.36 0.60 -1.58 -2.03 0.00 0.00 175.02 171.58 1b9x s HIS 62 N -4.00 -1.00 0.53 3.16 5.04 0.13 -4.89 115.29 114.26 1b9x s HIS 62 Ca 0.20 1.94 -0.20 0.00 -1.54 0.00 0.00 55.06 55.46 1b9x s HIS 62 Cb 0.05 0.56 -0.07 0.00 0.04 0.00 0.00 32.58 33.17 1b9x s HIS 62 CO 0.01 -0.51 1.11 -1.58 -2.34 0.00 0.00 174.74 171.42 1b9x s TRP 63 N 1.91 2.75 0.47 3.88 0.52 -1.26 -1.46 118.94 125.75 1b9x s TRP 63 Ca -0.08 1.55 -0.08 0.00 0.02 0.00 0.00 56.10 57.51 1b9x s TRP 63 Cb -0.08 -3.23 -0.05 0.00 -1.15 0.00 0.00 33.47 28.96 1b9x s TRP 63 CO -0.18 -1.38 0.81 0.20 0.02 0.00 0.00 176.95 176.42 1b9x s GLY 64 N -1.83 1.68 0.14 0.98 0.00 0.46 -4.75 107.32 104.01 1b9x s GLY 64 Ca 0.71 -0.34 0.13 0.00 0.00 0.00 0.00 44.72 45.22 1b9x s GLY 64 CO 0.25 -0.16 1.40 -1.30 0.00 0.00 0.00 173.10 173.29 1b9x n THR 65 N -1.96 1.34 1.55 0.90 -2.24 -1.26 -1.84 114.28 110.77 1b9x n THR 65 Ca 0.02 0.49 0.13 0.00 -2.27 0.00 0.00 64.05 62.42 1b9x n THR 65 Cb 0.55 -1.43 0.56 0.00 -2.10 0.00 0.00 70.33 67.90 1b9x n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b9x n ASP 66 N -1.86 1.19 -2.75 3.42 5.75 -1.26 -4.80 116.55 116.25 1b9x n ASP 66 Ca 0.00 -1.46 -0.20 0.00 -0.01 0.00 0.00 54.79 53.12 1b9x n ASP 66 Cb 0.08 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.15 1b9x n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1b9x n SER 67 N -0.05 -5.33 0.00 -1.12 7.64 -0.77 -4.74 113.62 109.26 1b9x n SER 67 Ca 0.19 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1b9x n SER 67 Cb 0.29 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1b9x n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1b9x n ARG 68 N -3.42 0.00 -3.06 1.43 0.63 -1.26 -5.00 116.66 105.98 1b9x n ARG 68 Ca -0.15 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.43 1b9x n ARG 68 Cb 0.63 -0.07 -0.06 0.00 0.45 0.00 0.00 32.46 33.41 1b9x n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1b9x s LEU 69 N -4.75 4.22 -0.09 6.15 1.43 -1.26 -1.99 118.68 122.40 1b9x s LEU 69 Ca 0.00 1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.38 1b9x s LEU 69 Cb 0.00 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.39 1b9x s LEU 69 CO 0.00 -0.09 0.39 -1.48 0.23 0.00 0.00 176.35 175.40 1b9x s LEU 70 N -2.41 0.52 0.02 1.79 0.05 -0.70 -0.40 118.68 117.56 1b9x s LEU 70 Ca 0.49 0.53 0.01 0.00 0.05 0.00 0.00 54.13 55.21 1b9x s LEU 70 Cb -0.14 1.43 -0.04 0.00 -2.05 0.00 0.00 46.19 45.39 1b9x s LEU 70 CO 0.19 -0.29 0.06 -0.22 -0.55 0.00 0.00 176.35 175.54 1b9x s LEU 71 N -0.47 3.78 -0.03 1.48 2.96 -0.54 0.38 118.68 126.24 1b9x s LEU 71 Ca -0.06 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1b9x s LEU 71 Cb -0.04 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1b9x s LEU 71 CO 0.03 0.24 0.00 -0.94 -1.32 0.00 0.00 176.35 174.37 1b9x s SER 72 N -1.89 0.35 -0.16 3.68 1.04 -0.50 -0.70 113.70 115.52 1b9x s SER 72 Ca 0.24 -0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 1b9x s SER 72 Cb -0.12 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 1b9x s SER 72 CO 0.15 -0.10 0.04 0.00 0.98 0.00 0.00 173.24 174.31 1b9x s ALA 73 N 1.00 3.34 0.26 5.32 0.00 0.91 -1.35 121.76 131.25 1b9x s ALA 73 Ca -0.10 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1b9x s ALA 73 Cb -0.13 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1b9x s ALA 73 CO -0.02 0.29 -0.05 0.45 0.00 0.00 0.00 175.76 176.43 1b9x s SER 74 N 0.05 2.53 0.00 0.00 0.15 -0.92 -1.21 113.70 114.30 1b9x s SER 74 Ca 0.04 -1.19 0.15 0.00 0.70 0.00 0.00 55.95 55.65 1b9x s SER 74 Cb -0.12 -0.13 0.77 0.00 -1.71 0.00 0.00 66.02 64.83 1b9x s SER 74 CO 0.01 -0.38 1.41 1.67 1.20 0.00 0.00 173.24 177.16 1b9x n GLN 75 N -0.54 0.23 -0.20 5.44 7.27 0.10 -1.69 117.38 127.99 1b9x n GLN 75 Ca -0.05 0.14 0.05 0.00 0.07 0.00 0.00 57.00 57.20 1b9x n GLN 75 Cb 0.63 -1.50 0.15 0.00 2.41 0.00 0.00 30.24 31.94 1b9x n GLN 75 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1b9x n ASP 76 N -1.27 1.97 -2.34 1.69 3.85 -1.26 -4.69 116.55 114.50 1b9x n ASP 76 Ca 0.07 -2.06 -0.19 0.00 -0.71 0.00 0.00 54.79 51.91 1b9x n ASP 76 Cb 0.12 -0.27 0.01 0.00 -1.35 0.00 0.00 41.12 39.62 1b9x n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1b9x n GLY 77 N 0.93 -0.38 3.31 6.12 0.00 -0.68 -4.92 105.19 109.57 1b9x n GLY 77 Ca 0.11 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1b9x n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b9x s LYS 78 N -5.19 1.20 -0.13 1.61 2.47 -1.25 0.23 119.74 118.69 1b9x s LYS 78 Ca 0.12 -1.27 0.01 0.00 -1.56 0.00 0.00 55.97 53.27 1b9x s LYS 78 Cb -0.05 -1.41 0.02 0.00 -1.46 0.00 0.00 37.83 34.92 1b9x s LYS 78 CO 0.14 0.31 -0.14 -1.17 0.16 0.00 0.00 175.35 174.65 1b9x s LEU 79 N -2.19 1.67 -0.13 5.43 2.96 -0.24 -2.15 118.68 124.03 1b9x s LEU 79 Ca 0.10 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1b9x s LEU 79 Cb -0.09 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.50 1b9x s LEU 79 CO 0.05 -0.02 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.24 1b9x s ILE 80 N 1.26 1.81 -0.44 6.68 1.01 -0.45 0.15 121.20 131.21 1b9x s ILE 80 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1b9x s ILE 80 Cb -0.14 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1b9x s ILE 80 CO -0.06 0.50 0.63 -0.63 0.00 0.00 0.00 174.94 175.38 1b9x s ILE 81 N 0.96 4.85 0.34 2.92 -1.09 -0.98 -1.42 121.20 126.78 1b9x s ILE 81 Ca -0.05 0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.48 1b9x s ILE 81 Cb -0.15 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1b9x s ILE 81 CO -0.03 -0.60 0.36 0.26 -1.23 0.00 0.00 174.94 173.70 1b9x s TRP 82 N 2.76 2.97 -0.74 3.97 0.52 0.16 -0.68 118.94 127.90 1b9x s TRP 82 Ca 0.21 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1b9x s TRP 82 Cb -0.15 -1.89 0.18 0.00 -1.15 0.00 0.00 33.47 30.46 1b9x s TRP 82 CO 0.18 0.09 0.56 0.34 0.02 0.00 0.00 176.95 178.15 1b9x s ASP 83 N -4.07 5.19 0.54 2.95 2.15 -0.12 -1.71 116.67 121.59 1b9x s ASP 83 Ca 0.43 -3.67 0.45 0.00 0.43 0.00 0.00 52.55 50.18 1b9x s ASP 83 Cb -0.07 -1.74 1.66 0.00 -0.30 0.00 0.00 42.92 42.47 1b9x s ASP 83 CO 0.28 -0.15 1.62 0.77 -0.17 0.00 0.00 175.17 177.53 1b9x h SER 84 N 5.80 0.04 -0.65 -0.34 4.64 -1.67 0.28 113.55 121.65 1b9x h SER 84 Ca 0.12 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1b9x h SER 84 Cb 0.80 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1b9x h SER 84 CO 0.76 -0.03 0.11 1.88 -0.87 0.00 0.00 176.83 178.68 1b9x h TYR 85 N 0.01 1.14 -0.00 4.77 -1.99 -1.94 -3.29 116.97 115.67 1b9x h TYR 85 Ca 0.85 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 61.43 1b9x h TYR 85 Cb 3.32 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 41.73 1b9x h TYR 85 CO -0.00 0.95 -0.24 0.25 -0.00 0.00 0.00 178.16 179.13 1b9x n THR 86 N -4.22 0.00 -0.97 -2.88 -2.24 -0.29 -4.98 114.28 98.70 1b9x n THR 86 Ca 0.04 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1b9x n THR 86 Cb 0.28 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1b9x n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b9x n THR 87 N -0.64 0.00 -2.78 4.28 -2.24 0.85 -4.98 114.28 108.77 1b9x n THR 87 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 1b9x n THR 87 Cb 0.15 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1b9x n THR 87 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b9x s ASN 88 N -2.09 7.00 -0.04 3.42 0.02 -1.21 -4.75 114.94 117.30 1b9x s ASN 88 Ca 0.00 1.77 -0.20 0.00 -1.02 0.00 0.00 52.86 53.40 1b9x s ASN 88 Cb 0.00 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 1b9x s ASN 88 CO 0.00 -0.32 0.58 -0.75 0.02 0.00 0.00 177.10 176.63 1b9x s LYS 89 N -2.84 4.33 -0.21 -0.60 2.20 -1.26 -0.95 119.74 120.41 1b9x s LYS 89 Ca 0.59 0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 56.85 1b9x s LYS 89 Cb -0.13 -3.38 -0.12 0.00 -1.51 0.00 0.00 37.83 32.70 1b9x s LYS 89 CO 0.17 0.28 -0.22 0.28 -0.36 0.00 0.00 175.35 175.50 1b9x n VAL 90 N 3.09 1.19 -4.18 4.02 0.31 0.14 -4.93 118.33 117.97 1b9x n VAL 90 Ca -0.06 -0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 63.77 1b9x n VAL 90 Cb 0.51 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 1b9x n VAL 90 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1b9x s HIS 91 N -2.41 0.94 -0.16 3.52 3.76 -1.12 -4.99 115.29 114.82 1b9x s HIS 91 Ca -0.29 -0.95 -0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1b9x s HIS 91 Cb 0.09 -0.54 0.08 0.00 1.11 0.00 0.00 32.58 33.32 1b9x s HIS 91 CO 0.44 -0.18 0.34 0.00 -0.85 0.00 0.00 174.74 174.49 1b9x s ALA 92 N -3.66 -0.87 -0.18 -1.40 0.00 -1.26 -2.32 121.76 112.08 1b9x s ALA 92 Ca 0.14 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1b9x s ALA 92 Cb 0.06 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1b9x s ALA 92 CO -0.03 -0.67 -0.18 0.42 0.00 0.00 0.00 175.76 175.29 1b9x s ILE 93 N 2.45 1.95 0.15 0.00 1.01 0.12 -4.73 121.20 122.14 1b9x s ILE 93 Ca -0.01 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 1b9x s ILE 93 Cb -0.12 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 1b9x s ILE 93 CO -0.11 0.49 1.30 -2.84 0.00 0.00 0.00 174.94 173.79 1b9x s PRO 94 N 1.33 4.39 0.41 2.79 0.02 -1.26 -1.07 135.00 141.60 1b9x s PRO 94 Ca 0.04 1.99 0.08 0.00 0.02 0.00 0.00 61.00 63.13 1b9x s PRO 94 Cb -0.13 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 1b9x s PRO 94 CO -0.12 -0.29 0.34 -0.51 -0.33 0.00 0.00 177.00 176.09 1b9x s LEU 95 N 0.46 3.36 -0.01 -5.54 1.43 0.14 -4.95 118.68 113.57 1b9x s LEU 95 Ca 0.59 -0.78 0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1b9x s LEU 95 Cb -0.35 -1.97 -0.20 0.00 0.03 0.00 0.00 46.19 43.69 1b9x s LEU 95 CO 0.34 -0.62 0.58 0.54 0.23 0.00 0.00 176.35 177.43 1b9x n ARG 96 N -1.49 0.65 -4.31 1.70 1.74 -1.26 -4.89 116.66 108.80 1b9x n ARG 96 Ca 0.02 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 1b9x n ARG 96 Cb 0.62 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 1b9x n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1b9x s SER 97 N -5.31 3.97 0.15 0.55 0.15 -1.26 -4.99 113.70 106.96 1b9x s SER 97 Ca -0.06 -0.52 0.22 0.00 0.70 0.00 0.00 55.95 56.30 1b9x s SER 97 Cb 0.10 -0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 63.73 1b9x s SER 97 CO 0.84 0.18 0.92 -1.20 1.20 0.00 0.00 173.24 175.18 1b9x n SER 98 N 0.83 0.66 -3.59 5.45 7.64 -1.26 -4.34 113.62 119.01 1b9x n SER 98 Ca -0.15 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.57 1b9x n SER 98 Cb 0.53 0.79 -0.01 0.00 -1.01 0.00 0.00 64.21 64.51 1b9x n SER 98 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1b9x n TRP 99 N -2.59 2.90 -3.27 1.43 7.02 -1.26 -4.15 117.44 117.53 1b9x n TRP 99 Ca -0.01 -2.94 -0.39 0.00 -1.02 0.00 0.00 57.50 53.14 1b9x n TRP 99 Cb 0.56 -2.26 -0.06 0.00 -2.42 0.00 0.00 31.31 27.12 1b9x n TRP 99 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1b9x s VAL 100 N 1.42 5.13 -0.14 -0.99 1.01 -1.26 -1.97 120.40 123.60 1b9x s VAL 100 Ca 0.53 0.96 0.19 0.00 0.00 0.00 0.00 61.98 63.66 1b9x s VAL 100 Cb 0.15 -3.84 -0.26 0.00 0.00 0.00 0.00 36.38 32.43 1b9x s VAL 100 CO -0.06 0.23 0.30 0.23 0.00 0.00 0.00 175.10 175.80 1b9x n MET 101 N 4.42 0.67 -3.83 2.72 2.81 -0.04 -4.75 117.12 119.12 1b9x n MET 101 Ca -0.05 -0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.72 1b9x n MET 101 Cb 0.51 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1b9x n MET 101 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1b9x s THR 102 N -2.85 0.03 -0.13 2.03 -1.32 -0.95 -4.66 115.64 107.80 1b9x s THR 102 Ca -0.08 -1.02 -0.21 0.00 -1.21 0.00 0.00 61.69 59.17 1b9x s THR 102 Cb 0.09 -1.72 0.05 0.00 -1.51 0.00 0.00 72.50 69.41 1b9x s THR 102 CO 0.85 -0.16 0.53 0.00 -2.21 0.00 0.00 174.62 173.63 1b9x s ALA 104 N -0.43 1.10 -0.17 0.00 0.00 0.15 -4.57 121.76 117.84 1b9x s ALA 104 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1b9x s ALA 104 Cb -0.03 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1b9x s ALA 104 CO 0.04 -0.15 -0.14 -0.47 0.00 0.00 0.00 175.76 175.04 1b9x s TYR 105 N -3.22 2.33 0.36 0.00 6.04 -1.26 -1.17 117.35 120.43 1b9x s TYR 105 Ca 0.11 -1.39 -0.29 0.00 0.04 0.00 0.00 57.07 55.54 1b9x s TYR 105 Cb 0.02 -1.66 -0.11 0.00 -1.04 0.00 0.00 41.96 39.18 1b9x s TYR 105 CO -0.02 -0.71 1.53 0.00 -1.54 0.00 0.00 175.55 174.80 1b9x s ALA 106 N 1.43 3.63 0.65 3.97 0.00 -1.16 -4.78 121.76 125.50 1b9x s ALA 106 Ca 0.03 1.60 0.33 0.00 0.00 0.00 0.00 51.96 53.92 1b9x s ALA 106 Cb -0.14 -3.63 1.83 0.00 0.00 0.00 0.00 23.12 21.18 1b9x s ALA 106 CO -0.10 -1.07 2.05 -1.00 0.00 0.00 0.00 175.76 175.64 1b9x h PRO 107 N 3.47 0.00 0.00 0.00 0.13 -1.91 0.19 132.00 133.87 1b9x h PRO 107 Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 1b9x h PRO 107 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1b9x h PRO 107 CO 0.68 0.00 -0.96 0.66 -0.23 0.00 0.00 178.00 178.15 1b9x h SER 108 N 0.00 0.00 0.00 1.44 4.64 -1.94 -3.41 113.55 114.28 1b9x h SER 108 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1b9x h SER 108 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1b9x h SER 108 CO -0.00 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1b9x n GLY 109 N 1.31 1.10 0.11 -0.77 0.00 0.65 -4.89 105.19 102.70 1b9x n GLY 109 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1b9x n GLY 109 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1b9x h ASN 110 N 0.00 0.00 -4.94 1.61 2.35 -1.92 -3.45 115.58 109.24 1b9x h ASN 110 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1b9x h ASN 110 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 1b9x h ASN 110 CO 0.00 0.74 -0.47 -1.22 -1.65 0.00 0.00 177.43 174.83 1b9x n TYR 111 N -3.52 0.66 -3.61 1.19 4.02 -1.26 0.38 117.16 115.02 1b9x n TYR 111 Ca -0.00 -2.53 -0.01 0.00 -0.01 0.00 0.00 57.90 55.35 1b9x n TYR 111 Cb 0.76 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.84 1b9x n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1b9x s VAL 112 N -2.94 -0.04 0.37 -0.72 1.01 -0.84 -2.98 120.40 114.27 1b9x s VAL 112 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1b9x s VAL 112 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 1b9x s VAL 112 CO 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 175.10 175.17 1b9x s ALA 113 N 1.36 2.90 0.03 5.51 0.00 -0.32 -0.44 121.76 130.80 1b9x s ALA 113 Ca -0.08 -2.19 -0.28 0.00 0.00 0.00 0.00 51.96 49.41 1b9x s ALA 113 Cb -0.03 0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.42 1b9x s ALA 113 CO -0.14 -0.13 0.90 0.00 0.00 0.00 0.00 175.76 176.40 1b9x s GLY 115 N -2.57 -0.37 0.00 0.00 0.00 -0.99 0.17 107.32 103.56 1b9x s GLY 115 Ca 0.06 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1b9x s GLY 115 CO -0.07 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1b9x n GLY 116 N -0.35 2.13 0.00 0.20 0.00 -1.25 -0.86 105.19 105.07 1b9x n GLY 116 Ca -0.05 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1b9x n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b9x n LEU 117 N 0.00 0.00 -0.24 0.99 4.77 -0.83 -0.70 117.00 120.98 1b9x n LEU 117 Ca 0.00 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.15 1b9x n LEU 117 Cb 0.00 -0.02 0.71 0.00 -2.33 0.00 0.00 43.42 41.78 1b9x n LEU 117 CO 0.00 -0.01 0.97 -0.90 -1.33 0.00 0.00 177.39 176.12 1b9x n ASP 118 N -1.02 0.77 -1.24 -1.43 5.68 -1.26 -4.83 116.55 113.22 1b9x n ASP 118 Ca 0.14 -1.20 -0.15 0.00 -0.50 0.00 0.00 54.79 53.09 1b9x n ASP 118 Cb 0.07 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 1b9x n ASP 118 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1b9x n ASN 119 N -0.43 -4.73 -4.22 -1.12 5.03 -1.06 -4.93 115.26 103.79 1b9x n ASN 119 Ca 0.21 0.36 -0.22 0.00 0.87 0.00 0.00 54.58 55.79 1b9x n ASN 119 Cb 0.24 -3.98 -0.13 0.00 -1.02 0.00 0.00 39.78 34.89 1b9x n ASN 119 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1b9x s ILE 120 N -2.20 1.46 -0.39 2.41 1.01 -1.26 -4.29 121.20 117.94 1b9x s ILE 120 Ca 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 1b9x s ILE 120 Cb 0.00 -1.32 0.09 0.00 0.01 0.00 0.00 42.46 41.24 1b9x s ILE 120 CO 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 174.94 175.12 1b9x s SER 122 N 1.81 7.00 -0.11 0.00 0.01 0.13 -1.13 113.70 121.41 1b9x s SER 122 Ca 0.04 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1b9x s SER 122 Cb -0.22 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1b9x s SER 122 CO -0.01 0.02 -0.11 -0.63 0.41 0.00 0.00 173.24 172.92 1b9x s ILE 123 N 0.16 3.29 -0.10 1.44 1.01 0.68 -1.51 121.20 126.18 1b9x s ILE 123 Ca 0.34 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1b9x s ILE 123 Cb -0.18 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1b9x s ILE 123 CO 0.18 0.55 -0.23 -0.31 0.00 0.00 0.00 174.94 175.12 1b9x s TYR 124 N -0.07 2.48 -0.21 3.97 1.51 0.41 -1.80 117.35 123.64 1b9x s TYR 124 Ca -0.01 -1.00 -0.22 0.00 -1.01 0.00 0.00 57.07 54.83 1b9x s TYR 124 Cb -0.14 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1b9x s TYR 124 CO 0.03 -0.40 0.70 1.21 -1.11 0.00 0.00 175.55 175.98 1b9x s ASN 125 N 0.33 6.74 0.25 2.29 3.84 -1.26 -1.98 114.94 125.15 1b9x s ASN 125 Ca -0.18 0.91 0.23 0.00 0.21 0.00 0.00 52.86 54.02 1b9x s ASN 125 Cb -0.18 -2.38 0.12 0.00 -0.55 0.00 0.00 41.25 38.26 1b9x s ASN 125 CO 0.08 -0.35 1.21 -0.07 -2.79 0.00 0.00 177.10 175.18 1b9x h LEU 126 N 8.51 0.00 0.02 3.21 3.38 -0.37 -2.75 115.31 127.31 1b9x h LEU 126 Ca -0.29 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1b9x h LEU 126 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1b9x h LEU 126 CO 0.80 0.01 -0.16 0.11 0.09 0.00 0.00 178.44 179.29 1b9x h LYS 127 N 0.00 0.07 0.00 1.13 1.79 -1.88 -3.12 116.57 114.55 1b9x h LYS 127 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1b9x h LYS 127 Cb 0.98 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1b9x h LYS 127 CO 0.00 1.02 0.00 0.25 -1.08 0.00 0.00 179.45 179.64 1b9x n THR 128 N -4.53 1.20 -2.81 -0.16 -2.24 -1.26 -4.90 114.28 99.58 1b9x n THR 128 Ca -0.11 0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1b9x n THR 128 Cb 0.53 -1.12 0.05 0.00 -2.10 0.00 0.00 70.33 67.70 1b9x n THR 128 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1b9x n ARG 129 N -1.47 -3.73 0.00 -0.78 0.63 -1.18 -4.97 116.66 105.16 1b9x n ARG 129 Ca 0.03 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1b9x n ARG 129 Cb 0.12 -4.43 0.00 0.00 0.45 0.00 0.00 32.46 28.60 1b9x n ARG 129 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1b9x n GLU 130 N -2.80 0.72 -0.15 -0.14 1.02 -1.04 -4.44 120.64 113.82 1b9x n GLU 130 Ca -0.16 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1b9x n GLU 130 Cb 0.60 -1.20 0.40 0.00 -0.02 0.00 0.00 31.44 31.21 1b9x n GLU 130 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1b9x h GLY 131 N 3.57 0.84 0.00 0.62 0.00 -1.84 -3.33 103.07 102.93 1b9x h GLY 131 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1b9x h GLY 131 CO 0.00 0.19 -1.03 1.16 0.00 0.00 0.00 176.54 176.86 1b9x n ASN 132 N -4.48 1.85 -0.01 0.19 6.94 -1.26 -4.23 115.26 114.26 1b9x n ASN 132 Ca 0.10 0.50 -0.01 0.00 -0.02 0.00 0.00 54.58 55.15 1b9x n ASN 132 Cb 0.26 -0.90 -0.01 0.00 -2.36 0.00 0.00 39.78 36.77 1b9x n ASN 132 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1b9x n VAL 133 N -4.50 0.07 -1.76 3.53 0.31 -1.26 -4.82 118.33 109.90 1b9x n VAL 133 Ca -0.22 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.71 1b9x n VAL 133 Cb 0.51 -0.91 0.06 0.00 -0.91 0.00 0.00 33.84 32.60 1b9x n VAL 133 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1b9x s ARG 134 N -2.02 2.65 -0.32 5.55 0.52 -1.25 -5.03 118.95 119.04 1b9x s ARG 134 Ca -0.02 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 1b9x s ARG 134 Cb 0.01 -1.90 0.14 0.00 0.52 0.00 0.00 34.95 33.71 1b9x s ARG 134 CO 0.02 -1.53 0.28 0.08 0.02 0.00 0.00 175.30 174.18 1b9x s VAL 135 N -1.39 -0.24 0.10 3.52 1.01 -1.26 -4.70 120.40 117.44 1b9x s VAL 135 Ca 0.81 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 1b9x s VAL 135 Cb -0.38 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1b9x s VAL 135 CO 0.40 -0.63 0.99 -1.20 0.00 0.00 0.00 175.10 174.66 1b9x n SER 136 N 4.78 -0.67 -3.74 3.32 7.64 -0.74 -4.64 113.62 119.57 1b9x n SER 136 Ca 0.04 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 60.92 1b9x n SER 136 Cb 0.44 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 1b9x n SER 136 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1b9x s ARG 137 N -5.27 0.48 -0.34 1.43 1.81 -1.12 -5.01 118.95 110.92 1b9x s ARG 137 Ca -0.08 0.53 -0.04 0.00 -1.72 0.00 0.00 55.73 54.43 1b9x s ARG 137 Cb 0.07 0.23 0.06 0.00 -0.45 0.00 0.00 34.95 34.86 1b9x s ARG 137 CO 0.39 -0.06 0.09 -1.21 -0.68 0.00 0.00 175.30 173.83 1b9x s GLU 138 N 0.16 2.39 -0.92 3.54 2.02 -1.26 -0.23 118.70 124.40 1b9x s GLU 138 Ca -0.00 -1.38 -0.24 0.00 0.02 0.00 0.00 54.97 53.36 1b9x s GLU 138 Cb -0.03 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.85 1b9x s GLU 138 CO 0.01 -0.75 1.47 -0.51 0.02 0.00 0.00 175.26 175.49 1b9x s LEU 139 N 1.28 3.37 0.13 1.80 2.01 -0.28 -4.92 118.68 122.07 1b9x s LEU 139 Ca -0.01 -1.03 -0.11 0.00 0.01 0.00 0.00 54.13 52.99 1b9x s LEU 139 Cb -0.21 -2.56 -0.06 0.00 0.01 0.00 0.00 46.19 43.37 1b9x s LEU 139 CO -0.01 -1.75 0.48 0.00 1.01 0.00 0.00 176.35 176.09 1b9x s ALA 140 N 5.83 3.65 0.00 4.21 0.00 -1.26 -2.98 121.76 131.20 1b9x s ALA 140 Ca 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1b9x s ALA 140 Cb -0.03 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1b9x s ALA 140 CO -0.01 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1b9x n GLY 141 N 0.66 0.62 3.67 0.00 0.00 -1.26 -4.89 105.19 104.00 1b9x n GLY 141 Ca -0.05 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1b9x n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b9x n HIS 142 N 0.00 1.71 -0.64 1.61 8.25 -1.26 -4.88 115.22 120.02 1b9x n HIS 142 Ca 0.00 0.49 0.08 0.00 -0.26 0.00 0.00 57.72 58.04 1b9x n HIS 142 Cb 0.00 -2.30 0.30 0.00 1.12 0.00 0.00 29.99 29.11 1b9x n HIS 142 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b9x n THR 143 N -0.66 1.84 -4.13 1.59 -2.24 -1.26 -4.90 114.28 104.52 1b9x n THR 143 Ca 0.09 -1.32 -0.09 0.00 -2.27 0.00 0.00 64.05 60.45 1b9x n THR 143 Cb 0.42 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1b9x n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1b9x s GLY 144 N -1.14 0.91 0.77 3.38 0.00 -1.26 -4.78 107.32 105.20 1b9x s GLY 144 Ca 0.44 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 1b9x s GLY 144 CO 0.19 -1.33 0.79 1.58 0.00 0.00 0.00 173.10 174.33 1b9x n TYR 145 N -0.08 0.01 -3.13 1.90 0.18 -1.26 -4.38 117.16 110.40 1b9x n TYR 145 Ca -0.06 0.36 -0.43 0.00 1.88 0.00 0.00 57.90 59.64 1b9x n TYR 145 Cb 0.63 -1.99 -0.07 0.00 -0.38 0.00 0.00 39.34 37.54 1b9x n TYR 145 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1b9x s LEU 146 N -2.39 4.61 0.03 -3.48 2.96 0.12 -0.54 118.68 120.00 1b9x s LEU 146 Ca 0.68 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.94 1b9x s LEU 146 Cb -0.32 -2.64 -0.28 0.00 0.50 0.00 0.00 46.19 43.45 1b9x s LEU 146 CO 0.55 -0.80 1.07 0.28 -1.32 0.00 0.00 176.35 176.14 1b9x h SER 147 N 8.90 0.77 -5.03 3.68 0.02 -1.66 -3.34 113.55 116.89 1b9x h SER 147 Ca -0.26 -0.83 -0.00 0.00 -0.84 0.00 0.00 61.79 59.86 1b9x h SER 147 Cb 1.10 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.30 1b9x h SER 147 CO 0.90 1.52 0.14 0.00 -1.14 0.00 0.00 176.83 178.25 1b9x s ARG 150 N -0.64 0.20 0.36 0.00 1.81 -0.64 -4.59 118.95 115.45 1b9x s ARG 150 Ca -0.07 0.67 -0.27 0.00 -1.72 0.00 0.00 55.73 54.34 1b9x s ARG 150 Cb -0.02 -0.06 -0.09 0.00 -0.45 0.00 0.00 34.95 34.33 1b9x s ARG 150 CO 0.06 -0.22 1.16 -0.06 -0.68 0.00 0.00 175.30 175.56 1b9x s PHE 151 N 1.85 3.20 -0.14 -0.53 0.40 -1.26 -1.94 117.98 119.56 1b9x s PHE 151 Ca -0.04 1.58 0.15 0.00 -0.60 0.00 0.00 56.93 58.02 1b9x s PHE 151 Cb -0.11 -3.38 -0.24 0.00 0.51 0.00 0.00 43.02 39.80 1b9x s PHE 151 CO -0.09 -1.14 0.29 1.28 0.70 0.00 0.00 175.22 176.25 1b9x n LEU 152 N 0.41 0.42 0.00 -0.37 4.77 0.48 -4.84 117.00 117.87 1b9x n LEU 152 Ca 0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1b9x n LEU 152 Cb 0.46 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1b9x n LEU 152 CO 0.52 0.47 0.00 -0.90 -1.33 0.00 0.00 177.39 176.15 1b9x n ASP 153 N -2.88 0.00 0.28 -1.43 5.75 -1.11 -4.99 116.55 112.17 1b9x n ASP 153 Ca -0.27 -0.60 0.17 0.00 -0.01 0.00 0.00 54.79 54.08 1b9x n ASP 153 Cb 1.12 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.93 1b9x n ASP 153 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1b9x h ASP 154 N 0.00 0.00 -0.02 -1.12 3.45 -2.00 -3.20 116.42 113.53 1b9x h ASP 154 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1b9x h ASP 154 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1b9x h ASP 154 CO 0.00 0.03 0.00 -0.46 -1.57 0.00 0.00 179.24 177.24 1b9x n ASN 155 N -3.14 1.96 -3.78 6.45 0.23 -1.26 -4.82 115.26 110.90 1b9x n ASN 155 Ca 0.00 -1.92 -0.19 0.00 -0.53 0.00 0.00 54.58 51.95 1b9x n ASN 155 Cb 0.29 -0.01 -0.17 0.00 -2.08 0.00 0.00 39.78 37.81 1b9x n ASN 155 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1b9x s GLN 156 N -0.92 0.29 -0.01 -3.83 -1.52 -1.21 -1.29 119.66 111.16 1b9x s GLN 156 Ca 0.01 0.14 -0.02 0.00 -1.95 0.00 0.00 55.36 53.54 1b9x s GLN 156 Cb 0.01 -0.58 0.00 0.00 -0.22 0.00 0.00 33.01 32.22 1b9x s GLN 156 CO 0.01 -0.20 0.06 -1.50 -0.25 0.00 0.00 175.29 173.40 1b9x s ILE 157 N 1.41 0.03 -0.10 1.08 2.07 -1.05 -0.39 121.20 124.25 1b9x s ILE 157 Ca -0.04 -0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1b9x s ILE 157 Cb -0.13 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 1b9x s ILE 157 CO -0.03 -0.12 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.13 1b9x s VAL 158 N -0.37 3.74 0.10 4.00 1.01 -0.82 -1.03 120.40 127.04 1b9x s VAL 158 Ca -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1b9x s VAL 158 Cb -0.03 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1b9x s VAL 158 CO 0.00 0.56 -0.18 0.42 0.00 0.00 0.00 175.10 175.91 1b9x s THR 159 N -0.36 1.48 0.13 3.92 -4.23 0.41 -1.62 115.64 115.38 1b9x s THR 159 Ca 0.05 -1.53 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 1b9x s THR 159 Cb -0.12 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1b9x s THR 159 CO 0.02 -0.18 -0.19 -0.94 -0.54 0.00 0.00 174.62 172.79 1b9x s SER 160 N -2.00 3.82 0.11 3.99 1.04 -0.68 -0.28 113.70 119.70 1b9x s SER 160 Ca 0.05 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 1b9x s SER 160 Cb -0.09 -0.50 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 1b9x s SER 160 CO 0.04 0.16 0.12 -0.55 0.98 0.00 0.00 173.24 173.99 1b9x s SER 161 N -2.27 0.25 0.00 7.02 0.15 0.61 -1.99 113.70 117.46 1b9x s SER 161 Ca 0.19 -0.98 0.22 0.00 0.70 0.00 0.00 55.95 56.07 1b9x s SER 161 Cb -0.10 0.32 1.03 0.00 -1.71 0.00 0.00 66.02 65.56 1b9x s SER 161 CO 0.10 -0.74 1.70 0.61 1.20 0.00 0.00 173.24 176.11 1b9x n GLY 162 N -0.08 -1.09 0.61 9.45 0.00 0.30 -1.28 105.19 113.10 1b9x n GLY 162 Ca -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1b9x n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b9x n ASP 163 N -1.36 1.59 0.00 1.61 3.85 -1.26 -4.49 116.55 116.49 1b9x n ASP 163 Ca 0.08 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 1b9x n ASP 163 Cb 0.20 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 1b9x n ASP 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1b9x n THR 164 N 0.08 0.00 -4.43 2.12 -1.04 -1.06 -4.93 114.28 105.02 1b9x n THR 164 Ca 0.06 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.81 1b9x n THR 164 Cb 0.33 -0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.67 1b9x n THR 164 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1b9x s THR 165 N -3.35 2.29 0.01 12.58 2.01 -1.25 -4.28 115.64 123.64 1b9x s THR 165 Ca 0.00 -1.98 0.03 0.00 0.31 0.00 0.00 61.69 60.05 1b9x s THR 165 Cb 0.00 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1b9x s THR 165 CO 0.00 -0.10 -0.09 0.00 -0.69 0.00 0.00 174.62 173.74 1b9x s ALA 167 N -0.48 0.38 -0.33 0.00 0.00 0.61 0.07 121.76 122.01 1b9x s ALA 167 Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1b9x s ALA 167 Cb -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1b9x s ALA 167 CO 0.00 0.01 0.11 -1.17 0.00 0.00 0.00 175.76 174.71 1b9x s LEU 168 N -0.84 4.27 0.18 0.00 2.96 -0.67 -0.44 118.68 124.13 1b9x s LEU 168 Ca -0.05 -1.05 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 1b9x s LEU 168 Cb -0.06 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1b9x s LEU 168 CO -0.00 -0.31 0.20 0.26 -1.32 0.00 0.00 176.35 175.18 1b9x s TRP 169 N 1.43 3.25 -0.51 5.38 0.52 -0.19 -1.28 118.94 127.54 1b9x s TRP 169 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 56.10 56.01 1b9x s TRP 169 Cb -0.19 -1.54 0.13 0.00 -1.15 0.00 0.00 33.47 30.72 1b9x s TRP 169 CO 0.03 0.51 0.40 0.34 0.02 0.00 0.00 176.95 178.26 1b9x s ASP 170 N -3.32 5.83 0.31 2.95 -1.08 -0.85 -2.53 116.67 117.99 1b9x s ASP 170 Ca 0.32 -1.98 0.05 0.00 -0.52 0.00 0.00 52.55 50.42 1b9x s ASP 170 Cb -0.10 -2.05 0.84 0.00 -1.46 0.00 0.00 42.92 40.15 1b9x s ASP 170 CO 0.25 -0.70 1.59 0.40 0.52 0.00 0.00 175.17 177.24 1b9x h ILE 171 N 5.97 0.10 0.18 4.11 2.04 -1.51 1.01 117.51 129.41 1b9x h ILE 171 Ca -0.20 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1b9x h ILE 171 Cb 1.07 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1b9x h ILE 171 CO 0.88 0.01 -0.09 -0.33 0.00 0.00 0.00 178.15 178.63 1b9x h GLU 172 N 0.06 -0.23 0.00 2.37 5.08 -1.89 -3.14 114.58 116.83 1b9x h GLU 172 Ca 0.63 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.95 1b9x h GLU 172 Cb 1.37 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1b9x h GLU 172 CO -0.82 -0.16 -0.28 1.79 -1.00 0.00 0.00 179.01 178.55 1b9x h THR 173 N -0.24 1.02 -0.12 1.13 1.35 -1.89 -3.46 112.91 110.70 1b9x h THR 173 Ca -0.02 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 1b9x h THR 173 Cb 0.19 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1b9x h THR 173 CO 0.04 0.27 -0.04 0.61 -0.25 0.00 0.00 175.52 176.15 1b9x n GLY 174 N -0.53 0.47 3.81 5.82 0.00 0.35 -5.04 105.19 110.07 1b9x n GLY 174 Ca -0.02 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1b9x n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b9x s GLN 175 N -2.54 3.12 -1.16 1.61 -0.21 -1.21 -4.76 119.66 114.51 1b9x s GLN 175 Ca 0.00 -0.49 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 1b9x s GLN 175 Cb 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1b9x s GLN 175 CO 0.00 0.64 1.97 0.94 -2.12 0.00 0.00 175.29 176.71 1b9x n GLN 176 N 0.96 2.26 -0.33 2.91 7.27 -1.26 -2.01 117.38 127.16 1b9x n GLN 176 Ca -0.11 -2.49 0.06 0.00 0.07 0.00 0.00 57.00 54.52 1b9x n GLN 176 Cb 0.52 -3.32 0.14 0.00 2.41 0.00 0.00 30.24 30.00 1b9x n GLN 176 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1b9x h THR 177 N 4.94 0.07 -3.72 1.69 2.02 -1.63 -3.42 112.91 112.86 1b9x h THR 177 Ca 0.43 -0.00 -0.37 0.00 0.77 0.00 0.00 66.41 67.23 1b9x h THR 177 Cb 0.76 0.06 -0.19 0.00 -1.74 0.00 0.00 68.15 67.05 1b9x h THR 177 CO 1.68 0.00 -0.75 -0.89 0.37 0.00 0.00 175.52 175.93 1b9x s THR 178 N -6.23 1.12 -0.10 3.16 2.01 -0.40 -4.99 115.64 110.20 1b9x s THR 178 Ca -0.15 -1.59 -0.01 0.00 0.31 0.00 0.00 61.69 60.26 1b9x s THR 178 Cb 0.26 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.45 1b9x s THR 178 CO 0.77 -0.43 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.34 1b9x s THR 179 N -2.06 0.77 -0.46 -0.82 2.01 -1.26 -1.68 115.64 112.14 1b9x s THR 179 Ca 0.05 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 1b9x s THR 179 Cb -0.05 -0.87 0.07 0.00 0.01 0.00 0.00 72.50 71.66 1b9x s THR 179 CO 0.02 0.29 0.37 -0.36 -0.69 0.00 0.00 174.62 174.25 1b9x s PHE 180 N 1.81 3.26 0.13 4.92 0.40 0.11 -4.94 117.98 123.66 1b9x s PHE 180 Ca 0.04 -1.00 0.07 0.00 -0.60 0.00 0.00 56.93 55.45 1b9x s PHE 180 Cb -0.13 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1b9x s PHE 180 CO -0.07 -0.80 -0.07 0.95 0.70 0.00 0.00 175.22 175.93 1b9x s THR 181 N 1.61 3.46 0.00 0.64 -4.23 -1.26 -2.20 115.64 113.67 1b9x s THR 181 Ca 0.04 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1b9x s THR 181 Cb -0.24 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1b9x s THR 181 CO 0.06 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1b9x n GLY 182 N 0.45 1.82 3.69 3.99 0.00 -1.26 -4.85 105.19 109.03 1b9x n GLY 182 Ca -0.12 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1b9x n GLY 182 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b9x n HIS 183 N 0.00 1.52 0.10 1.61 8.25 -1.26 -4.90 115.22 120.54 1b9x n HIS 183 Ca 0.00 0.43 0.07 0.00 -0.26 0.00 0.00 57.72 57.96 1b9x n HIS 183 Cb 0.00 -2.22 0.14 0.00 1.12 0.00 0.00 29.99 29.03 1b9x n HIS 183 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b9x n THR 184 N -1.81 0.60 -4.18 1.59 -2.24 -1.26 -4.93 114.28 102.05 1b9x n THR 184 Ca 0.15 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1b9x n THR 184 Cb 0.48 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1b9x n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1b9x s GLY 185 N -1.07 1.35 0.04 3.38 0.00 -1.26 -4.87 107.32 104.89 1b9x s GLY 185 Ca 0.24 -1.62 -0.33 0.00 0.00 0.00 0.00 44.72 43.01 1b9x s GLY 185 CO 0.19 -1.33 1.78 1.22 0.00 0.00 0.00 173.10 174.97 1b9x n ASP 186 N -0.28 3.50 -4.67 1.64 10.43 -1.26 -4.29 116.55 121.62 1b9x n ASP 186 Ca 0.02 1.01 -0.43 0.00 2.57 0.00 0.00 54.79 57.96 1b9x n ASP 186 Cb 0.66 -1.43 -0.02 0.00 1.84 0.00 0.00 41.12 42.16 1b9x n ASP 186 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1b9x s VAL 187 N 2.81 4.43 -0.14 2.53 1.01 -0.41 -0.37 120.40 130.26 1b9x s VAL 187 Ca 0.86 1.73 0.16 0.00 0.00 0.00 0.00 61.98 64.73 1b9x s VAL 187 Cb -0.63 -4.12 -0.24 0.00 0.00 0.00 0.00 36.38 31.39 1b9x s VAL 187 CO 0.44 -0.08 0.31 0.23 0.00 0.00 0.00 175.10 176.00 1b9x n MET 188 N 5.82 0.67 -3.65 2.72 0.00 0.04 -4.02 117.12 118.71 1b9x n MET 188 Ca 0.12 0.10 -0.10 0.00 0.00 0.00 0.00 57.70 57.82 1b9x n MET 188 Cb 0.46 -1.63 -0.02 0.00 0.00 0.00 0.00 33.22 32.03 1b9x n MET 188 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1b9x s SER 189 N -5.69 -0.40 0.08 7.83 0.15 -1.06 -4.45 113.70 110.16 1b9x s SER 189 Ca -0.08 -0.32 -0.14 0.00 0.70 0.00 0.00 55.95 56.11 1b9x s SER 189 Cb 0.07 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.05 1b9x s SER 189 CO 0.83 -1.14 0.32 -1.48 1.20 0.00 0.00 173.24 172.97 1b9x s LEU 190 N -2.84 0.79 -0.07 3.45 0.05 -1.26 -1.30 118.68 117.50 1b9x s LEU 190 Ca 0.06 -0.31 -0.03 0.00 0.05 0.00 0.00 54.13 53.90 1b9x s LEU 190 Cb -0.03 1.49 0.04 0.00 -2.05 0.00 0.00 46.19 45.64 1b9x s LEU 190 CO -0.03 -0.72 0.15 -0.55 -0.55 0.00 0.00 176.35 174.65 1b9x s SER 191 N -2.46 0.32 0.09 1.48 0.15 0.43 -4.89 113.70 108.82 1b9x s SER 191 Ca -0.00 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.66 1b9x s SER 191 Cb 0.01 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1b9x s SER 191 CO -0.08 -0.20 1.01 -0.76 1.20 0.00 0.00 173.24 174.42 1b9x s LEU 192 N 1.72 4.46 0.69 3.45 1.43 -1.26 -1.03 118.68 128.14 1b9x s LEU 192 Ca -0.03 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 1b9x s LEU 192 Cb -0.12 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1b9x s LEU 192 CO -0.06 -0.17 1.19 0.00 0.23 0.00 0.00 176.35 177.54 1b9x s ALA 193 N 0.27 2.25 0.29 4.21 0.00 -0.32 -4.78 121.76 123.68 1b9x s ALA 193 Ca 0.49 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1b9x s ALA 193 Cb -0.24 -3.44 0.65 0.00 0.00 0.00 0.00 23.12 20.09 1b9x s ALA 193 CO 0.30 -1.65 1.80 -1.00 0.00 0.00 0.00 175.76 175.22 1b9x h PRO 194 N -0.03 0.84 0.00 0.00 0.13 -1.88 -0.22 132.00 130.84 1b9x h PRO 194 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1b9x h PRO 194 Cb 1.29 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1b9x h PRO 194 CO 0.51 0.56 0.00 -0.40 -0.23 0.00 0.00 178.00 178.44 1b9x n ASP 195 N -4.70 0.00 -0.78 1.44 3.85 -1.26 -4.90 116.55 110.20 1b9x n ASP 195 Ca 0.21 -0.87 -0.09 0.00 -0.71 0.00 0.00 54.79 53.34 1b9x n ASP 195 Cb 0.47 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.17 1b9x n ASP 195 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1b9x n THR 196 N -1.03 0.00 0.01 2.12 -2.24 -0.10 -4.77 114.28 108.27 1b9x n THR 196 Ca 0.22 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1b9x n THR 196 Cb 0.12 -1.25 -0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1b9x n THR 196 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1b9x h ARG 197 N 0.00 0.01 -5.54 -0.78 3.08 -1.91 -3.46 114.38 105.78 1b9x h ARG 197 Ca -0.18 -0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.34 1b9x h ARG 197 Cb 0.99 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.90 1b9x h ARG 197 CO 0.27 0.69 -0.66 -0.51 -1.07 0.00 0.00 179.97 178.68 1b9x s LEU 198 N -6.33 2.50 -0.08 3.04 1.43 -1.26 -1.11 118.68 116.87 1b9x s LEU 198 Ca -0.03 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.55 1b9x s LEU 198 Cb 0.09 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.71 1b9x s LEU 198 CO 0.82 -0.36 0.69 0.72 0.23 0.00 0.00 176.35 178.45 1b9x s PHE 199 N -2.98 -0.68 0.23 0.29 -0.12 -1.03 -1.18 117.98 112.52 1b9x s PHE 199 Ca 0.31 1.24 0.10 0.00 -0.05 0.00 0.00 56.93 58.53 1b9x s PHE 199 Cb 0.04 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1b9x s PHE 199 CO 0.13 -0.58 -0.11 0.54 -0.05 0.00 0.00 175.22 175.15 1b9x s VAL 200 N -0.98 3.01 -0.01 -2.49 0.11 -0.20 -1.08 120.40 118.76 1b9x s VAL 200 Ca -0.09 -1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 57.01 1b9x s VAL 200 Cb -0.01 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1b9x s VAL 200 CO 0.09 -0.25 0.02 -0.94 -3.33 0.00 0.00 175.10 170.69 1b9x s SER 201 N -3.20 -0.02 -0.04 3.54 1.04 -0.49 -0.43 113.70 114.10 1b9x s SER 201 Ca 0.27 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 1b9x s SER 201 Cb -0.07 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1b9x s SER 201 CO 0.16 -0.01 0.05 -0.83 0.98 0.00 0.00 173.24 173.59 1b9x s GLY 202 N -0.01 1.96 0.30 7.32 0.00 -0.42 -1.60 107.32 114.87 1b9x s GLY 202 Ca -0.00 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1b9x s GLY 202 CO 0.00 -0.67 0.29 0.00 0.00 0.00 0.00 173.10 172.72 1b9x s ALA 203 N -1.08 1.40 -1.87 3.20 0.00 -1.12 -0.78 121.76 121.52 1b9x s ALA 203 Ca 0.19 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1b9x s ALA 203 Cb -0.12 1.38 0.07 0.00 0.00 0.00 0.00 23.12 24.45 1b9x s ALA 203 CO 0.09 -0.68 1.00 0.00 0.00 0.00 0.00 175.76 176.17 1b9x n ASP 205 N -0.24 3.20 -0.64 0.00 3.85 -1.26 -4.63 116.55 116.83 1b9x n ASP 205 Ca 0.02 -1.96 -0.07 0.00 -0.71 0.00 0.00 54.79 52.08 1b9x n ASP 205 Cb 0.10 -0.21 -0.02 0.00 -1.35 0.00 0.00 41.12 39.63 1b9x n ASP 205 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1b9x n ALA 206 N 1.34 -0.15 -2.41 2.12 0.00 -1.13 -5.00 120.51 115.27 1b9x n ALA 206 Ca 0.19 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 1b9x n ALA 206 Cb 0.57 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 1b9x n ALA 206 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b9x s SER 207 N -2.83 2.03 -0.10 0.00 1.04 -1.26 -4.40 113.70 108.18 1b9x s SER 207 Ca 0.00 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1b9x s SER 207 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 1b9x s SER 207 CO 0.00 -0.19 -0.20 0.00 0.98 0.00 0.00 173.24 173.83 1b9x s ALA 208 N -2.55 2.36 -0.08 5.32 0.00 -0.64 -2.80 121.76 123.36 1b9x s ALA 208 Ca 0.13 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1b9x s ALA 208 Cb -0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1b9x s ALA 208 CO 0.03 0.32 -0.20 0.15 0.00 0.00 0.00 175.76 176.06 1b9x s LYS 209 N 0.17 2.87 -0.22 0.00 1.02 -0.63 0.59 119.74 123.55 1b9x s LYS 209 Ca -0.11 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 54.88 1b9x s LYS 209 Cb -0.16 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1b9x s LYS 209 CO 0.06 0.33 0.49 -1.17 -0.92 0.00 0.00 175.35 174.14 1b9x s LEU 210 N 0.01 4.12 0.16 3.17 2.96 -0.20 -1.40 118.68 127.49 1b9x s LEU 210 Ca -0.07 0.60 0.10 0.00 -0.22 0.00 0.00 54.13 54.54 1b9x s LEU 210 Cb -0.15 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1b9x s LEU 210 CO 0.05 -0.19 -0.20 0.26 -1.32 0.00 0.00 176.35 174.96 1b9x s TRP 211 N 1.75 2.45 -0.32 5.38 0.52 -0.24 0.29 118.94 128.76 1b9x s TRP 211 Ca 0.22 -0.30 -0.12 0.00 0.02 0.00 0.00 56.10 55.92 1b9x s TRP 211 Cb -0.15 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1b9x s TRP 211 CO 0.09 0.44 0.21 0.34 0.02 0.00 0.00 176.95 178.05 1b9x s ASP 212 N -2.44 5.92 0.05 2.95 3.68 -0.52 -2.47 116.67 123.84 1b9x s ASP 212 Ca 0.20 -0.34 -0.34 0.00 2.13 0.00 0.00 52.55 54.19 1b9x s ASP 212 Cb -0.09 -2.10 -0.19 0.00 -1.45 0.00 0.00 42.92 39.09 1b9x s ASP 212 CO 0.10 -0.18 1.51 0.58 0.13 0.00 0.00 175.17 177.31 1b9x h VAL 213 N 5.50 0.13 -0.01 1.11 2.07 -1.44 0.41 116.25 124.01 1b9x h VAL 213 Ca -0.33 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1b9x h VAL 213 Cb 1.16 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1b9x h VAL 213 CO 0.61 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 178.10 1b9x h ARG 214 N -1.19 0.01 0.00 1.57 1.12 -1.91 -2.76 114.38 111.23 1b9x h ARG 214 Ca -0.12 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 1b9x h ARG 214 Cb 0.88 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1b9x h ARG 214 CO 0.19 0.03 -1.45 -1.91 -3.11 0.00 0.00 179.97 173.71 1b9x n GLU 215 N -4.52 0.51 -2.27 0.20 2.13 -1.17 -5.02 120.64 110.51 1b9x n GLU 215 Ca -0.03 -0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.62 1b9x n GLU 215 Cb 0.10 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.20 1b9x n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b9x n GLY 216 N 1.28 -0.09 3.30 8.31 0.00 0.14 -5.01 105.19 113.13 1b9x n GLY 216 Ca -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1b9x n GLY 216 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1b9x s MET 217 N -4.64 1.05 -0.01 1.61 0.23 -1.21 -4.82 119.30 111.51 1b9x s MET 217 Ca 0.02 -1.00 -0.30 0.00 -1.03 0.00 0.00 55.69 53.38 1b9x s MET 217 Cb -0.01 0.39 -0.05 0.00 -1.53 0.00 0.00 34.83 33.64 1b9x s MET 217 CO 0.02 -0.38 1.28 0.00 -2.03 0.00 0.00 175.02 173.92 1b9x h ARG 219 N 7.47 0.25 -3.35 0.00 2.47 -0.51 -3.48 114.38 117.22 1b9x h ARG 219 Ca -0.37 -0.42 -0.08 0.00 -1.26 0.00 0.00 59.98 57.85 1b9x h ARG 219 Cb 1.18 0.16 -0.15 0.00 -1.65 0.00 0.00 29.97 29.50 1b9x h ARG 219 CO 0.88 1.20 -0.20 -0.65 0.56 0.00 0.00 179.97 181.76 1b9x s GLN 220 N -2.51 0.90 -0.16 0.04 -0.21 -1.20 -5.00 119.66 111.52 1b9x s GLN 220 Ca -0.21 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1b9x s GLN 220 Cb 0.06 0.39 0.03 0.00 1.00 0.00 0.00 33.01 34.49 1b9x s GLN 220 CO 0.76 -0.31 -0.09 0.99 -2.12 0.00 0.00 175.29 174.52 1b9x s THR 221 N -3.06 1.34 0.05 -0.19 2.01 -1.26 -1.04 115.64 113.49 1b9x s THR 221 Ca -0.01 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1b9x s THR 221 Cb 0.01 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1b9x s THR 221 CO -0.07 0.27 0.29 -0.36 -0.69 0.00 0.00 174.62 174.06 1b9x s PHE 222 N 1.55 3.55 0.05 4.92 0.40 0.20 -4.93 117.98 123.71 1b9x s PHE 222 Ca 0.02 0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1b9x s PHE 222 Cb -0.14 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1b9x s PHE 222 CO -0.09 0.57 0.17 0.95 0.70 0.00 0.00 175.22 177.52 1b9x s THR 223 N -1.42 0.12 0.00 0.64 -4.23 -1.26 -1.62 115.64 107.87 1b9x s THR 223 Ca 0.32 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1b9x s THR 223 Cb -0.13 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1b9x s THR 223 CO 0.20 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1b9x n GLY 224 N 0.57 0.72 3.77 3.99 0.00 -1.26 -4.80 105.19 108.17 1b9x n GLY 224 Ca -0.18 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1b9x n GLY 224 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b9x s HIS 225 N 0.00 2.82 -1.94 1.61 3.76 -1.26 -4.91 115.29 115.36 1b9x s HIS 225 Ca 0.00 1.47 0.22 0.00 -0.15 0.00 0.00 55.06 56.60 1b9x s HIS 225 Cb 0.00 -3.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 1b9x s HIS 225 CO 0.00 -1.89 1.07 -0.85 -0.85 0.00 0.00 174.74 172.22 1b9x n GLU 226 N -0.18 1.13 -4.65 1.40 0.00 -1.26 -4.87 120.64 112.20 1b9x n GLU 226 Ca 0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 57.16 56.01 1b9x n GLU 226 Cb 0.45 -1.48 -0.09 0.00 0.00 0.00 0.00 31.44 30.32 1b9x n GLU 226 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1b9x s SER 227 N -2.51 3.77 0.30 -1.84 0.01 -1.26 -4.96 113.70 107.21 1b9x s SER 227 Ca 0.17 -1.51 -0.29 0.00 1.31 0.00 0.00 55.95 55.64 1b9x s SER 227 Cb 0.18 0.06 -0.13 0.00 0.21 0.00 0.00 66.02 66.34 1b9x s SER 227 CO 0.59 -0.66 1.28 0.47 0.41 0.00 0.00 173.24 175.33 1b9x n ASP 228 N -1.08 2.51 -4.63 2.44 8.00 -1.26 -4.28 116.55 118.25 1b9x n ASP 228 Ca -0.10 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.18 1b9x n ASP 228 Cb 0.67 -1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.26 1b9x n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b9x s ILE 229 N -0.77 5.07 -0.25 0.53 1.01 -0.77 -0.97 121.20 125.05 1b9x s ILE 229 Ca 0.60 0.92 0.19 0.00 0.00 0.00 0.00 60.65 62.37 1b9x s ILE 229 Cb -0.62 -3.84 -0.28 0.00 0.01 0.00 0.00 42.46 37.74 1b9x s ILE 229 CO 0.58 0.11 0.52 0.59 0.00 0.00 0.00 174.94 176.74 1b9x n ASN 230 N 5.31 0.66 -3.72 3.58 3.02 -0.33 -3.73 115.26 120.05 1b9x n ASN 230 Ca -0.04 -0.25 -0.14 0.00 -0.03 0.00 0.00 54.58 54.12 1b9x n ASN 230 Cb 0.50 1.65 -0.08 0.00 -0.61 0.00 0.00 39.78 41.24 1b9x n ASN 230 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b9x s ALA 231 N -3.19 -0.98 -0.08 5.41 0.00 -1.05 -4.51 121.76 117.36 1b9x s ALA 231 Ca -0.03 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 1b9x s ALA 231 Cb 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1b9x s ALA 231 CO 0.80 -0.26 0.24 -1.50 0.00 0.00 0.00 175.76 175.04 1b9x s ILE 232 N -1.01 0.02 -0.10 0.00 2.07 -1.26 -1.33 121.20 119.59 1b9x s ILE 232 Ca -0.11 -0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 58.94 1b9x s ILE 232 Cb -0.04 -0.39 0.04 0.00 0.13 0.00 0.00 42.46 42.20 1b9x s ILE 232 CO 0.04 -0.07 0.25 0.00 -1.91 0.00 0.00 174.94 173.25 1b9x s PHE 234 N 0.88 2.90 0.36 0.00 2.19 -1.26 -0.45 117.98 122.59 1b9x s PHE 234 Ca -0.06 1.57 -0.18 0.00 0.33 0.00 0.00 56.93 58.58 1b9x s PHE 234 Cb -0.07 -3.24 -0.10 0.00 -1.31 0.00 0.00 43.02 38.30 1b9x s PHE 234 CO -0.06 -1.23 0.83 0.12 1.83 0.00 0.00 175.22 176.72 1b9x s PHE 235 N -1.74 3.38 0.34 10.12 5.36 0.31 -4.84 117.98 130.91 1b9x s PHE 235 Ca 0.66 1.40 0.13 0.00 -0.96 0.00 0.00 56.93 58.17 1b9x s PHE 235 Cb -0.23 -2.68 1.06 0.00 -0.34 0.00 0.00 43.02 40.84 1b9x s PHE 235 CO 0.27 0.03 1.63 -1.35 -1.46 0.00 0.00 175.22 174.35 1b9x h PRO 236 N 2.22 0.20 -0.18 10.12 0.11 -1.89 -1.27 132.00 141.31 1b9x h PRO 236 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b9x h PRO 236 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1b9x h PRO 236 CO 0.64 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 1b9x n ASN 237 N -5.16 1.64 0.00 -2.05 0.23 -1.26 -4.87 115.26 103.79 1b9x n ASN 237 Ca 0.31 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 1b9x n ASN 237 Cb 0.99 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 1b9x n ASN 237 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b9x n GLY 238 N 1.12 0.78 0.74 4.83 0.00 -0.48 -4.86 105.19 107.31 1b9x n GLY 238 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1b9x n GLY 238 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b9x n ASN 239 N 0.00 2.31 -3.10 1.61 3.02 -1.26 -4.95 115.26 112.89 1b9x n ASN 239 Ca 0.00 -1.77 -0.09 0.00 -0.03 0.00 0.00 54.58 52.69 1b9x n ASN 239 Cb 0.00 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1b9x n ASN 239 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b9x s ALA 240 N -1.97 -0.57 0.12 5.41 0.00 -1.26 -0.44 121.76 123.04 1b9x s ALA 240 Ca 0.33 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 1b9x s ALA 240 Cb 0.20 0.77 0.08 0.00 0.00 0.00 0.00 23.12 24.17 1b9x s ALA 240 CO 0.31 -0.96 0.69 -0.59 0.00 0.00 0.00 175.76 175.22 1b9x s PHE 241 N -2.63 -0.46 0.21 0.00 -0.12 -0.25 -0.53 117.98 114.19 1b9x s PHE 241 Ca 0.17 0.27 0.08 0.00 -0.05 0.00 0.00 56.93 57.40 1b9x s PHE 241 Cb -0.04 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1b9x s PHE 241 CO 0.12 -0.77 0.00 0.00 -0.05 0.00 0.00 175.22 174.52 1b9x s ALA 242 N -3.56 3.19 0.04 1.99 0.00 0.41 -0.71 121.76 123.12 1b9x s ALA 242 Ca 0.03 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.54 1b9x s ALA 242 Cb -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1b9x s ALA 242 CO -0.11 0.40 -0.09 0.95 0.00 0.00 0.00 175.76 176.91 1b9x s THR 243 N -1.94 0.62 -0.03 0.00 -4.23 -0.46 -1.52 115.64 108.08 1b9x s THR 243 Ca 0.29 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1b9x s THR 243 Cb -0.08 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 1b9x s THR 243 CO 0.19 -0.28 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.00 1b9x s GLY 244 N -1.39 0.81 0.34 3.99 0.00 -0.44 -1.43 107.32 109.20 1b9x s GLY 244 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.06 1b9x s GLY 244 CO 0.01 -0.42 0.31 -1.35 0.00 0.00 0.00 173.10 171.64 1b9x s SER 245 N -0.13 1.61 0.03 1.64 1.04 -1.12 -1.18 113.70 115.59 1b9x s SER 245 Ca 0.01 -1.73 0.15 0.00 0.48 0.00 0.00 55.95 54.85 1b9x s SER 245 Cb -0.09 0.58 0.64 0.00 0.10 0.00 0.00 66.02 67.25 1b9x s SER 245 CO 0.01 -1.10 1.47 0.47 0.98 0.00 0.00 173.24 175.07 1b9x n ASP 246 N -1.57 0.07 -0.69 7.02 8.00 -0.15 -1.31 116.55 127.93 1b9x n ASP 246 Ca 0.07 0.52 0.01 0.00 0.71 0.00 0.00 54.79 56.10 1b9x n ASP 246 Cb 0.62 -0.53 0.07 0.00 -0.02 0.00 0.00 41.12 41.26 1b9x n ASP 246 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1b9x n ASP 247 N -1.58 1.71 -1.99 -2.24 5.68 -1.26 -4.40 116.55 112.47 1b9x n ASP 247 Ca 0.03 -2.15 -0.18 0.00 -0.50 0.00 0.00 54.79 52.00 1b9x n ASP 247 Cb 0.17 -0.49 -0.04 0.00 -1.14 0.00 0.00 41.12 39.62 1b9x n ASP 247 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b9x n ALA 248 N 0.09 -0.48 -2.64 2.12 0.00 -1.05 -4.97 120.51 113.58 1b9x n ALA 248 Ca 0.05 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 1b9x n ALA 248 Cb 0.38 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.84 1b9x n ALA 248 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1b9x s THR 249 N -2.71 1.32 0.07 0.00 -4.23 -1.26 -4.72 115.64 104.11 1b9x s THR 249 Ca 0.00 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1b9x s THR 249 Cb 0.00 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1b9x s THR 249 CO 0.00 -0.19 -0.03 0.00 -0.54 0.00 0.00 174.62 173.86 1b9x s ARG 251 N -2.06 0.29 -0.34 0.00 0.52 -0.51 0.17 118.95 117.02 1b9x s ARG 251 Ca 0.23 -0.08 -0.13 0.00 -0.52 0.00 0.00 55.73 55.23 1b9x s ARG 251 Cb -0.11 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 1b9x s ARG 251 CO 0.15 0.03 0.24 -1.17 0.02 0.00 0.00 175.30 174.57 1b9x s LEU 252 N 0.15 4.49 -0.13 2.53 2.96 0.34 -1.36 118.68 127.66 1b9x s LEU 252 Ca -0.01 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1b9x s LEU 252 Cb -0.04 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1b9x s LEU 252 CO -0.00 -0.23 0.00 -0.36 -1.32 0.00 0.00 176.35 174.44 1b9x s PHE 253 N 1.74 3.14 -0.16 5.38 0.40 0.11 0.81 117.98 129.41 1b9x s PHE 253 Ca 0.06 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.35 1b9x s PHE 253 Cb -0.17 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1b9x s PHE 253 CO 0.11 0.25 0.06 0.34 0.70 0.00 0.00 175.22 176.68 1b9x s ASP 254 N -0.23 5.68 0.11 1.36 -1.08 -0.94 -1.09 116.67 120.49 1b9x s ASP 254 Ca 0.06 0.15 -0.17 0.00 -0.52 0.00 0.00 52.55 52.07 1b9x s ASP 254 Cb -0.12 -1.90 -0.04 0.00 -1.46 0.00 0.00 42.92 39.39 1b9x s ASP 254 CO 0.02 0.25 1.62 -0.07 0.52 0.00 0.00 175.17 177.50 1b9x h LEU 255 N 6.16 0.47 -1.00 -1.34 4.07 -1.08 -1.50 115.31 121.09 1b9x h LEU 255 Ca -0.42 -0.22 -0.07 0.00 0.08 0.00 0.00 57.88 57.25 1b9x h LEU 255 Cb 1.18 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1b9x h LEU 255 CO 0.66 0.57 -0.06 0.03 -1.08 0.00 0.00 178.44 178.55 1b9x h ARG 256 N 0.35 0.65 0.00 1.13 -0.00 -1.96 -2.62 114.38 111.93 1b9x h ARG 256 Ca 0.10 -0.18 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1b9x h ARG 256 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.17 1b9x h ARG 256 CO -0.00 0.71 -0.06 0.00 0.00 0.00 0.00 179.97 180.62 1b9x h ALA 257 N 1.33 0.96 -5.22 0.04 0.00 -1.90 -3.47 119.26 111.00 1b9x h ALA 257 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.63 1b9x h ALA 257 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1b9x h ALA 257 CO 0.02 0.00 -0.60 -3.47 0.00 0.00 0.00 179.25 175.21 1b9x n ASP 258 N -2.35 -4.69 -3.61 0.00 4.64 -0.57 -4.93 116.55 105.04 1b9x n ASP 258 Ca 0.05 -0.40 -0.07 0.00 -1.38 0.00 0.00 54.79 53.00 1b9x n ASP 258 Cb 0.44 -3.82 -0.02 0.00 -1.04 0.00 0.00 41.12 36.69 1b9x n ASP 258 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1b9x s GLN 259 N -5.98 1.04 0.22 -0.67 -2.07 -1.19 -4.95 119.66 106.06 1b9x s GLN 259 Ca 0.40 -0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 53.16 1b9x s GLN 259 Cb -0.20 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 32.05 1b9x s GLN 259 CO 0.49 -0.47 1.34 -1.83 -1.32 0.00 0.00 175.29 173.50 1b9x s GLU 260 N -3.27 4.36 -0.00 9.60 -1.05 -1.26 -2.20 118.70 124.87 1b9x s GLU 260 Ca 0.08 2.12 0.19 0.00 -0.15 0.00 0.00 54.97 57.20 1b9x s GLU 260 Cb -0.01 -3.17 -0.19 0.00 -0.44 0.00 0.00 34.13 30.31 1b9x s GLU 260 CO -0.04 -0.29 0.60 1.28 0.95 0.00 0.00 175.26 177.76 1b9x n LEU 261 N 2.48 0.48 -3.51 1.83 4.77 0.24 -4.91 117.00 118.38 1b9x n LEU 261 Ca 0.06 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 1b9x n LEU 261 Cb 0.42 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1b9x n LEU 261 CO 0.58 0.16 0.68 -0.32 -1.33 0.00 0.00 177.39 177.16 1b9x s MET 262 N -3.01 0.82 0.07 3.23 0.00 -1.21 -2.52 119.30 116.69 1b9x s MET 262 Ca -0.05 -0.22 0.08 0.00 0.00 0.00 0.00 55.69 55.49 1b9x s MET 262 Cb 0.09 0.38 -0.03 0.00 0.00 0.00 0.00 34.83 35.27 1b9x s MET 262 CO 0.84 -0.34 -0.20 -0.08 0.00 0.00 0.00 175.02 175.23 1b9x s THR 263 N -2.79 1.66 -0.16 10.11 -1.32 -1.26 -0.50 115.64 121.37 1b9x s THR 263 Ca 0.03 -1.34 0.01 0.00 -1.21 0.00 0.00 61.69 59.19 1b9x s THR 263 Cb -0.01 -1.47 0.02 0.00 -1.51 0.00 0.00 72.50 69.53 1b9x s THR 263 CO -0.07 0.08 -0.18 -0.31 -2.21 0.00 0.00 174.62 171.93 1b9x s TYR 264 N -0.96 2.57 0.01 9.09 1.51 0.13 -4.94 117.35 124.75 1b9x s TYR 264 Ca 0.07 -1.47 -0.28 0.00 -1.01 0.00 0.00 57.07 54.38 1b9x s TYR 264 Cb -0.09 -1.80 0.10 0.00 -0.11 0.00 0.00 41.96 40.06 1b9x s TYR 264 CO 0.03 -0.73 0.88 -1.54 -1.11 0.00 0.00 175.55 173.07 1b9x s SER 265 N 1.28 -0.36 0.01 2.29 1.04 -1.26 -1.60 113.70 115.10 1b9x s SER 265 Ca 0.03 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 1b9x s SER 265 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1b9x s SER 265 CO -0.11 -0.65 0.16 -2.28 0.98 0.00 0.00 173.24 171.34 1b9x s HIS 266 N -3.15 0.05 0.49 5.02 2.46 -1.26 -5.05 115.29 113.85 1b9x s HIS 266 Ca 0.05 -0.19 0.16 0.00 0.47 0.00 0.00 55.06 55.55 1b9x s HIS 266 Cb -0.01 -0.05 1.18 0.00 -0.13 0.00 0.00 32.58 33.57 1b9x s HIS 266 CO -0.09 -0.34 2.09 -0.44 -2.47 0.00 0.00 174.74 173.50 1b9x h ASP 267 N 3.96 0.00 1.36 9.88 5.19 -2.02 -1.69 116.42 133.10 1b9x h ASP 267 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1b9x h ASP 267 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1b9x h ASP 267 CO 0.44 0.07 0.00 0.78 -3.12 0.00 0.00 179.24 177.40 1b9x h ASN 268 N 0.00 0.00 -3.58 6.45 2.35 -2.03 -3.42 115.58 115.36 1b9x h ASN 268 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 1b9x h ASN 268 Cb 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 1b9x h ASN 268 CO 0.01 0.00 0.06 -0.63 -1.65 0.00 0.00 177.43 175.22 1b9x s ILE 269 N -3.32 4.96 0.00 2.81 1.01 -0.64 -4.91 121.20 121.12 1b9x s ILE 269 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1b9x s ILE 269 Cb 0.09 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1b9x s ILE 269 CO 0.56 -0.22 0.75 2.30 0.00 0.00 0.00 174.94 178.33 1b9x n ILE 270 N 5.46 0.56 -3.86 2.92 -5.35 -1.26 -4.72 119.36 113.10 1b9x n ILE 270 Ca -0.03 -0.63 -0.21 0.00 -0.27 0.00 0.00 62.75 61.61 1b9x n ILE 270 Cb 0.49 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.15 1b9x n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b9x s GLY 272 N -4.00 2.15 -0.18 0.00 0.00 -1.26 -3.89 107.32 100.14 1b9x s GLY 272 Ca 0.37 0.38 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 1b9x s GLY 272 CO 0.29 0.69 0.24 -0.42 0.00 0.00 0.00 173.10 173.90 1b9x s ILE 273 N -2.44 5.33 0.00 0.90 1.01 -0.42 -0.99 121.20 124.59 1b9x s ILE 273 Ca 0.63 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1b9x s ILE 273 Cb -0.15 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1b9x s ILE 273 CO 0.34 0.39 0.88 0.35 0.00 0.00 0.00 174.94 176.90 1b9x n THR 274 N 3.66 0.78 -3.66 2.92 -2.24 0.36 -3.68 114.28 112.43 1b9x n THR 274 Ca -0.13 -0.81 -0.09 0.00 -2.27 0.00 0.00 64.05 60.75 1b9x n THR 274 Cb 0.52 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1b9x n THR 274 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1b9x s SER 275 N -0.78 -0.79 -0.01 3.42 0.15 -1.00 -4.62 113.70 110.07 1b9x s SER 275 Ca 0.00 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.93 1b9x s SER 275 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1b9x s SER 275 CO 0.00 -0.22 0.05 0.68 1.20 0.00 0.00 173.24 174.94 1b9x s VAL 276 N 1.41 0.02 -0.22 4.45 -7.23 -1.26 -0.06 120.40 117.52 1b9x s VAL 276 Ca -0.09 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 59.67 1b9x s VAL 276 Cb -0.06 -0.14 0.06 0.00 0.56 0.00 0.00 36.38 36.80 1b9x s VAL 276 CO -0.15 -0.11 0.59 -0.44 -0.31 0.00 0.00 175.10 174.67 1b9x s SER 277 N -0.33 -0.61 0.29 4.85 0.01 -0.32 -4.70 113.70 112.89 1b9x s SER 277 Ca -0.04 1.18 -0.04 0.00 1.31 0.00 0.00 55.95 58.36 1b9x s SER 277 Cb -0.03 1.20 -0.05 0.00 0.21 0.00 0.00 66.02 67.35 1b9x s SER 277 CO 0.00 -0.20 0.54 -0.36 0.41 0.00 0.00 173.24 173.63 1b9x s PHE 278 N 0.32 3.48 0.79 2.43 0.40 -1.26 0.16 117.98 124.29 1b9x s PHE 278 Ca -0.00 0.59 -0.10 0.00 -0.60 0.00 0.00 56.93 56.82 1b9x s PHE 278 Cb -0.04 -2.07 0.09 0.00 0.51 0.00 0.00 43.02 41.51 1b9x s PHE 278 CO 0.01 0.18 1.13 -1.54 0.70 0.00 0.00 175.22 175.69 1b9x s SER 279 N -3.26 4.44 0.16 1.36 1.04 -0.59 -4.82 113.70 112.03 1b9x s SER 279 Ca 0.43 0.56 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 1b9x s SER 279 Cb -0.11 -1.06 0.07 0.00 0.10 0.00 0.00 66.02 65.03 1b9x s SER 279 CO 0.31 -1.89 1.67 0.50 0.98 0.00 0.00 173.24 174.80 1b9x h LYS 280 N -0.95 -0.04 0.00 4.02 3.64 -1.89 -1.09 116.57 120.27 1b9x h LYS 280 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1b9x h LYS 280 Cb 1.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1b9x h LYS 280 CO 0.60 -0.02 0.00 -1.13 -2.27 0.00 0.00 179.45 176.62 1b9x n SER 281 N -5.30 0.07 0.00 4.20 3.41 -1.26 -4.87 113.62 109.86 1b9x n SER 281 Ca 0.01 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1b9x n SER 281 Cb 0.22 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1b9x n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b9x n GLY 282 N 1.33 0.88 0.22 5.00 0.00 -0.41 -4.90 105.19 107.31 1b9x n GLY 282 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1b9x n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1b9x h ARG 283 N 3.21 0.00 -6.25 1.61 9.65 -1.90 -3.43 114.38 117.27 1b9x h ARG 283 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.19 1b9x h ARG 283 Cb 0.00 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.37 1b9x h ARG 283 CO 0.00 0.23 -0.73 -0.51 2.80 0.00 0.00 179.97 181.76 1b9x s LEU 284 N -8.13 2.97 -0.30 3.80 1.43 -1.26 -0.46 118.68 116.74 1b9x s LEU 284 Ca -0.03 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1b9x s LEU 284 Cb 0.15 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.81 1b9x s LEU 284 CO 0.68 0.34 -0.01 -0.22 0.23 0.00 0.00 176.35 177.38 1b9x s LEU 285 N -0.86 3.80 -0.06 1.79 2.96 0.45 -1.54 118.68 125.22 1b9x s LEU 285 Ca 0.13 -1.74 -0.26 0.00 -0.22 0.00 0.00 54.13 52.03 1b9x s LEU 285 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1b9x s LEU 285 CO 0.02 -0.31 0.82 -0.76 -1.32 0.00 0.00 176.35 174.80 1b9x s LEU 286 N 1.11 4.31 -0.11 -0.68 1.02 0.12 -1.17 118.68 123.28 1b9x s LEU 286 Ca 0.03 1.35 0.03 0.00 0.02 0.00 0.00 54.13 55.55 1b9x s LEU 286 Cb -0.19 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.75 1b9x s LEU 286 CO -0.09 -0.22 -0.19 0.00 0.02 0.00 0.00 176.35 175.88 1b9x s ALA 287 N 1.12 1.90 -0.26 4.21 0.00 0.07 -1.17 121.76 127.63 1b9x s ALA 287 Ca 0.43 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1b9x s ALA 287 Cb -0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1b9x s ALA 287 CO 0.20 0.05 0.17 0.20 0.00 0.00 0.00 175.76 176.38 1b9x s GLY 288 N 0.75 1.95 0.20 0.00 0.00 0.92 -1.21 107.32 109.93 1b9x s GLY 288 Ca -0.11 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1b9x s GLY 288 CO 0.02 0.51 0.31 -0.19 0.00 0.00 0.00 173.10 173.74 1b9x s TYR 289 N 1.38 3.43 -1.16 1.90 1.51 0.57 -0.48 117.35 124.49 1b9x s TYR 289 Ca 0.07 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1b9x s TYR 289 Cb -0.15 -1.60 0.20 0.00 -0.11 0.00 0.00 41.96 40.31 1b9x s TYR 289 CO 0.07 0.48 1.07 -3.47 -1.11 0.00 0.00 175.55 172.60 1b9x n ASP 290 N -0.99 0.00 -1.79 2.29 2.03 -0.16 -1.03 116.55 116.90 1b9x n ASP 290 Ca -0.08 0.39 0.07 0.00 0.52 0.00 0.00 54.79 55.69 1b9x n ASP 290 Cb 0.56 -0.42 0.38 0.00 -0.72 0.00 0.00 41.12 40.92 1b9x n ASP 290 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1b9x n ASP 291 N -1.42 5.38 -1.05 1.67 5.75 -1.26 -4.91 116.55 120.71 1b9x n ASP 291 Ca 0.01 -2.82 -0.14 0.00 -0.01 0.00 0.00 54.79 51.84 1b9x n ASP 291 Cb 0.04 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 39.41 1b9x n ASP 291 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1b9x n PHE 292 N 0.67 0.00 -4.07 2.11 3.01 -0.20 -4.62 117.46 114.36 1b9x n PHE 292 Ca 0.26 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.48 1b9x n PHE 292 Cb 1.11 -2.57 -0.05 0.00 -0.01 0.00 0.00 39.48 37.97 1b9x n PHE 292 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1b9x s ASN 293 N -2.75 5.67 -0.07 4.37 0.01 -1.23 -1.19 114.94 119.75 1b9x s ASN 293 Ca 0.00 -0.13 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1b9x s ASN 293 Cb 0.00 -1.51 0.01 0.00 0.41 0.00 0.00 41.25 40.16 1b9x s ASN 293 CO 0.00 0.02 -0.11 0.00 -1.51 0.00 0.00 177.10 175.49 1b9x s ASN 295 N 0.77 4.14 -0.30 0.00 0.01 -0.35 -1.68 114.94 117.54 1b9x s ASN 295 Ca -0.13 -0.19 -0.10 0.00 -0.71 0.00 0.00 52.86 51.73 1b9x s ASN 295 Cb -0.15 -0.88 -0.02 0.00 0.41 0.00 0.00 41.25 40.61 1b9x s ASN 295 CO 0.02 0.33 0.15 -0.69 -1.51 0.00 0.00 177.10 175.41 1b9x s VAL 296 N -0.79 4.69 -0.02 1.60 1.01 0.36 -0.75 120.40 126.50 1b9x s VAL 296 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1b9x s VAL 296 Cb -0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1b9x s VAL 296 CO 0.02 0.13 0.14 0.26 0.00 0.00 0.00 175.10 175.64 1b9x s TRP 297 N 1.64 3.45 -0.75 5.22 0.52 -0.32 0.43 118.94 129.13 1b9x s TRP 297 Ca 0.05 0.32 -0.22 0.00 0.02 0.00 0.00 56.10 56.27 1b9x s TRP 297 Cb -0.17 -1.81 0.08 0.00 -1.15 0.00 0.00 33.47 30.43 1b9x s TRP 297 CO 0.07 0.62 1.06 0.34 0.02 0.00 0.00 176.95 179.06 1b9x s ASP 298 N -1.74 6.30 0.41 2.95 -1.08 -0.77 -0.41 116.67 122.34 1b9x s ASP 298 Ca 0.24 -1.24 0.26 0.00 -0.52 0.00 0.00 52.55 51.29 1b9x s ASP 298 Cb -0.12 -2.43 1.33 0.00 -1.46 0.00 0.00 42.92 40.24 1b9x s ASP 298 CO 0.15 -1.38 1.64 0.00 0.52 0.00 0.00 175.17 176.10 1b9x h ALA 299 N 9.44 2.51 0.05 3.66 0.00 -1.02 0.86 119.26 134.76 1b9x h ALA 299 Ca -0.15 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b9x h ALA 299 Cb 1.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1b9x h ALA 299 CO 1.19 -1.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.22 1b9x h LEU 300 N 0.15 -0.06 -0.10 0.00 3.38 -1.88 -3.38 115.31 113.41 1b9x h LEU 300 Ca 0.79 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1b9x h LEU 300 Cb 2.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.06 1b9x h LEU 300 CO -0.47 0.63 -0.19 0.29 0.09 0.00 0.00 178.44 178.78 1b9x n LYS 301 N -4.77 0.29 -2.16 1.13 5.02 -1.02 -4.34 118.16 112.31 1b9x n LYS 301 Ca -0.06 -0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 1b9x n LYS 301 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1b9x n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b9x n ALA 302 N -1.27 -0.46 -2.44 7.82 0.00 0.27 -4.94 120.51 119.49 1b9x n ALA 302 Ca 0.10 0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.45 1b9x n ALA 302 Cb 0.31 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 1b9x n ALA 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b9x s ASP 303 N -2.34 3.22 0.08 0.00 1.01 -1.26 -4.76 116.67 112.63 1b9x s ASP 303 Ca 0.00 -0.86 -0.31 0.00 0.71 0.00 0.00 52.55 52.09 1b9x s ASP 303 Cb 0.00 -0.23 -0.08 0.00 1.01 0.00 0.00 42.92 43.62 1b9x s ASP 303 CO 0.00 0.08 1.56 -0.13 0.21 0.00 0.00 175.17 176.89 1b9x s ARG 304 N -2.68 4.23 0.08 8.23 0.52 -1.26 -1.84 118.95 126.23 1b9x s ARG 304 Ca 0.19 2.24 0.21 0.00 -0.52 0.00 0.00 55.73 57.86 1b9x s ARG 304 Cb -0.07 -3.46 -0.16 0.00 0.52 0.00 0.00 34.95 31.78 1b9x s ARG 304 CO 0.09 -0.64 0.76 0.00 0.02 0.00 0.00 175.30 175.52 1b9x n ALA 305 N 5.01 2.49 0.00 2.13 0.00 0.17 -4.87 120.51 125.44 1b9x n ALA 305 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1b9x n ALA 305 Cb 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1b9x n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9x n GLY 306 N 1.27 -1.27 3.07 0.00 0.00 -0.82 -1.92 105.19 105.52 1b9x n GLY 306 Ca -0.05 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1b9x n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9x s VAL 307 N -2.78 1.28 -0.20 1.61 1.01 -1.26 -0.49 120.40 119.57 1b9x s VAL 307 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1b9x s VAL 307 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1b9x s VAL 307 CO 0.00 0.38 0.14 -0.22 0.00 0.00 0.00 175.10 175.41 1b9x s LEU 308 N 0.41 4.21 -0.53 3.92 0.20 -0.67 -4.25 118.68 121.96 1b9x s LEU 308 Ca -0.11 0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.96 1b9x s LEU 308 Cb -0.14 -2.11 0.00 0.00 -0.43 0.00 0.00 46.19 43.51 1b9x s LEU 308 CO 0.03 0.17 0.00 0.00 -0.29 0.00 0.00 176.35 176.26 1b9x n ALA 309 N 3.57 -0.14 -3.11 5.97 0.00 -1.26 -4.08 120.51 121.46 1b9x n ALA 309 Ca -0.16 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1b9x n ALA 309 Cb 0.52 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1b9x n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9x n GLY 310 N -1.43 -0.47 3.91 0.00 0.00 -1.26 -2.37 105.19 103.56 1b9x n GLY 310 Ca -0.06 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1b9x n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b9x n HIS 311 N -3.09 -1.79 0.39 1.61 8.25 -1.26 -4.86 115.22 114.48 1b9x n HIS 311 Ca 0.02 0.79 0.06 0.00 -0.26 0.00 0.00 57.72 58.33 1b9x n HIS 311 Cb 0.50 -3.86 0.20 0.00 1.12 0.00 0.00 29.99 27.95 1b9x n HIS 311 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1b9x n ASP 312 N -2.96 2.77 -4.20 0.41 3.85 -1.00 -4.91 116.55 110.51 1b9x n ASP 312 Ca -0.24 -2.20 -0.35 0.00 -0.71 0.00 0.00 54.79 51.29 1b9x n ASP 312 Cb 0.65 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.99 1b9x n ASP 312 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1b9x n ASN 313 N 0.58 -3.03 -0.61 -1.12 4.13 -1.25 -4.86 115.26 109.10 1b9x n ASN 313 Ca 0.15 -1.01 0.06 0.00 1.68 0.00 0.00 54.58 55.45 1b9x n ASN 313 Cb 0.51 -2.78 0.12 0.00 -1.54 0.00 0.00 39.78 36.09 1b9x n ASN 313 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1b9x n ARG 314 N -4.39 0.95 -3.97 3.52 1.74 -1.10 -4.80 116.66 108.60 1b9x n ARG 314 Ca 0.04 -2.49 -0.34 0.00 -0.77 0.00 0.00 57.85 54.28 1b9x n ARG 314 Cb 0.51 -1.10 -0.14 0.00 -1.02 0.00 0.00 32.46 30.71 1b9x n ARG 314 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1b9x s VAL 315 N -2.01 2.83 -0.30 1.55 1.01 -0.34 -4.29 120.40 118.86 1b9x s VAL 315 Ca 0.30 -0.97 0.16 0.00 0.00 0.00 0.00 61.98 61.47 1b9x s VAL 315 Cb 0.29 -2.41 -0.23 0.00 0.00 0.00 0.00 36.38 34.04 1b9x s VAL 315 CO -0.05 0.25 0.48 -1.54 0.00 0.00 0.00 175.10 174.24 1b9x n SER 316 N 4.67 1.05 -3.60 3.32 3.41 0.29 -4.20 113.62 118.57 1b9x n SER 316 Ca -0.17 -0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.08 1b9x n SER 316 Cb 0.48 1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 65.88 1b9x n SER 316 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b9x s LEU 318 N -2.44 0.15 -0.21 0.00 0.05 -1.26 -0.29 118.68 114.67 1b9x s LEU 318 Ca 0.10 -0.92 -0.28 0.00 0.05 0.00 0.00 54.13 53.09 1b9x s LEU 318 Cb 0.00 2.23 0.11 0.00 -2.05 0.00 0.00 46.19 46.49 1b9x s LEU 318 CO -0.05 -1.32 0.96 -0.83 -0.55 0.00 0.00 176.35 174.57 1b9x s GLY 319 N -3.02 -0.27 -0.09 -3.48 0.00 -0.61 -4.89 107.32 94.97 1b9x s GLY 319 Ca 0.18 2.25 0.00 0.00 0.00 0.00 0.00 44.72 47.16 1b9x s GLY 319 CO 0.10 1.44 -0.08 0.14 0.00 0.00 0.00 173.10 174.69 1b9x s VAL 320 N -0.41 3.56 0.66 1.40 1.01 -1.26 -0.83 120.40 124.53 1b9x s VAL 320 Ca -0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1b9x s VAL 320 Cb -0.03 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1b9x s VAL 320 CO -0.01 0.57 1.24 0.42 0.00 0.00 0.00 175.10 177.32 1b9x s THR 321 N -0.46 2.29 0.50 3.92 -4.23 -0.81 -4.90 115.64 111.95 1b9x s THR 321 Ca 0.06 0.17 0.15 0.00 -1.18 0.00 0.00 61.69 60.89 1b9x s THR 321 Cb -0.12 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.02 1b9x s THR 321 CO 0.02 -0.05 2.11 0.44 -0.54 0.00 0.00 174.62 176.60 1b9x h ASP 322 N 0.36 0.02 -0.03 3.99 3.32 -1.87 0.74 116.42 122.94 1b9x h ASP 322 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1b9x h ASP 322 Cb 1.31 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1b9x h ASP 322 CO 0.52 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.20 1b9x n ASP 323 N -4.49 0.75 -1.89 6.45 3.85 -1.26 -4.90 116.55 115.06 1b9x n ASP 323 Ca -0.03 -1.36 -0.20 0.00 -0.71 0.00 0.00 54.79 52.50 1b9x n ASP 323 Cb 0.12 -0.02 -0.05 0.00 -1.35 0.00 0.00 41.12 39.83 1b9x n ASP 323 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1b9x n GLY 324 N 1.04 0.77 0.09 6.12 0.00 0.25 -4.89 105.19 108.56 1b9x n GLY 324 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1b9x n GLY 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b9x h MET 325 N 0.00 0.00 -3.46 1.61 2.07 -1.91 -3.44 114.93 109.81 1b9x h MET 325 Ca -0.44 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.14 1b9x h MET 325 Cb 1.32 0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 30.93 1b9x h MET 325 CO 0.58 0.51 -0.09 0.00 1.07 0.00 0.00 176.91 178.98 1b9x s ALA 326 N -2.75 -0.75 0.04 6.32 0.00 -1.26 -4.75 121.76 118.61 1b9x s ALA 326 Ca -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1b9x s ALA 326 Cb 0.08 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1b9x s ALA 326 CO 0.81 -0.70 -0.24 0.08 0.00 0.00 0.00 175.76 175.72 1b9x s VAL 327 N -3.86 2.35 0.04 0.00 1.01 -0.96 -1.93 120.40 117.05 1b9x s VAL 327 Ca 0.08 -1.31 0.09 0.00 0.00 0.00 0.00 61.98 60.83 1b9x s VAL 327 Cb 0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1b9x s VAL 327 CO -0.07 0.37 -0.25 0.00 0.00 0.00 0.00 175.10 175.15 1b9x s ALA 328 N -0.84 2.32 -0.01 5.51 0.00 -0.01 0.16 121.76 128.89 1b9x s ALA 328 Ca 0.13 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.88 1b9x s ALA 328 Cb -0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1b9x s ALA 328 CO 0.03 0.54 -0.15 0.95 0.00 0.00 0.00 175.76 177.13 1b9x s THR 329 N -0.82 1.17 0.21 0.00 -4.23 0.07 -1.57 115.64 110.47 1b9x s THR 329 Ca 0.12 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1b9x s THR 329 Cb -0.10 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1b9x s THR 329 CO 0.02 0.33 0.27 -0.83 -0.54 0.00 0.00 174.62 173.88 1b9x s GLY 330 N -0.32 1.44 0.12 3.99 0.00 0.60 -1.31 107.32 111.85 1b9x s GLY 330 Ca 0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1b9x s GLY 330 CO -0.00 -1.25 0.06 -0.45 0.00 0.00 0.00 173.10 171.46 1b9x s SER 331 N -3.65 0.31 0.35 1.64 0.15 -0.96 -0.55 113.70 111.00 1b9x s SER 331 Ca 0.33 -1.18 0.26 0.00 0.70 0.00 0.00 55.95 56.06 1b9x s SER 331 Cb -0.09 0.29 0.71 0.00 -1.71 0.00 0.00 66.02 65.23 1b9x s SER 331 CO 0.27 -0.72 1.73 4.11 1.20 0.00 0.00 173.24 179.83 1b9x h TRP 332 N 2.88 0.00 -0.25 3.44 5.08 -1.85 0.13 115.95 125.38 1b9x h TRP 332 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1b9x h TRP 332 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1b9x h TRP 332 CO 0.44 0.00 0.00 -0.40 -1.28 0.00 0.00 178.44 177.20 1b9x n ASP 333 N -2.69 1.70 0.00 0.11 3.85 -1.26 -3.55 116.55 114.70 1b9x n ASP 333 Ca 0.04 -2.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 1b9x n ASP 333 Cb 0.43 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1b9x n ASP 333 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1b9x n SER 334 N 0.25 0.00 -4.79 -1.12 3.41 -1.16 -4.90 113.62 105.32 1b9x n SER 334 Ca 0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.39 1b9x n SER 334 Cb 0.31 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1b9x n SER 334 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1b9x s PHE 335 N -3.80 3.25 0.12 7.33 0.40 -1.26 -4.06 117.98 119.95 1b9x s PHE 335 Ca 0.00 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 1b9x s PHE 335 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1b9x s PHE 335 CO 0.00 0.54 -0.08 -0.51 0.70 0.00 0.00 175.22 175.87 1b9x s LEU 336 N -2.15 3.13 0.05 -0.37 1.02 -1.14 -2.26 118.68 116.95 1b9x s LEU 336 Ca 0.27 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1b9x s LEU 336 Cb -0.12 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 1b9x s LEU 336 CO 0.19 0.16 -0.08 -0.54 0.02 0.00 0.00 176.35 176.11 1b9x s LYS 337 N -2.35 0.55 -0.09 1.70 1.02 -0.42 -0.64 119.74 119.50 1b9x s LYS 337 Ca 0.23 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1b9x s LYS 337 Cb -0.11 -0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1b9x s LYS 337 CO 0.15 0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 174.92 1b9x s ILE 338 N -1.60 3.14 -0.06 2.17 -1.09 -0.88 -0.75 121.20 122.13 1b9x s ILE 338 Ca -0.08 -0.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1b9x s ILE 338 Cb -0.09 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 1b9x s ILE 338 CO -0.00 0.55 -0.17 0.26 -1.23 0.00 0.00 174.94 174.36 1b9x s TRP 339 N -0.16 1.77 0.00 3.97 0.52 0.12 -0.92 118.94 124.24 1b9x s TRP 339 Ca -0.00 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.53 1b9x s TRP 339 Cb -0.13 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 1b9x s TRP 339 CO 0.03 -0.24 0.48 0.09 0.02 0.00 0.00 176.95 177.33