#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw9 n ASP 2 N 0.00 0.00 0.00 0.00 4.64 -1.26 -5.11 116.55 114.82 3mw9 n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3mw9 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3mw9 n ASP 2 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3mw9 n ARG 3 N 0.00 0.00 0.15 -0.67 1.85 -1.26 -4.92 116.66 111.81 3mw9 n ARG 3 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 3mw9 n ARG 3 Cb 0.00 0.00 0.51 0.00 -1.05 0.00 0.00 32.46 31.92 3mw9 n ARG 3 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3mw9 h GLU 4 N 0.00 0.00 -0.89 2.89 4.39 -2.03 -3.38 114.58 115.55 3mw9 h GLU 4 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3mw9 h GLU 4 Cb 0.00 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.49 3mw9 h GLU 4 CO 0.00 0.00 -0.44 0.34 -1.16 0.00 0.00 179.01 177.75 3mw9 s ASP 5 N -4.54 -1.30 -0.53 1.42 2.15 -1.26 -4.94 116.67 107.68 3mw9 s ASP 5 Ca 0.04 -1.52 0.07 0.00 0.43 0.00 0.00 52.55 51.57 3mw9 s ASP 5 Cb 0.09 1.70 0.27 0.00 -0.30 0.00 0.00 42.92 44.69 3mw9 s ASP 5 CO 0.44 -0.05 0.72 -0.67 -0.17 0.00 0.00 175.17 175.44 3mw9 n ASP 6 N 2.94 2.58 -4.77 -0.34 2.03 -1.26 -4.63 116.55 113.10 3mw9 n ASP 6 Ca 0.17 -3.23 -0.36 0.00 0.52 0.00 0.00 54.79 51.89 3mw9 n ASP 6 Cb 0.57 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 40.33 3mw9 n ASP 6 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3mw9 s PRO 7 N -2.28 3.49 -0.06 -0.67 0.04 -1.26 -4.94 135.00 129.33 3mw9 s PRO 7 Ca 0.40 1.69 -0.36 0.00 0.04 0.00 0.00 61.00 62.77 3mw9 s PRO 7 Cb 0.20 -2.16 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 3mw9 s PRO 7 CO -0.07 -0.75 1.68 -1.71 0.04 0.00 0.00 177.00 176.19 3mw9 n ASN 8 N -0.99 2.74 -0.20 6.66 2.85 -1.26 -4.87 115.26 120.19 3mw9 n ASN 8 Ca 0.10 1.05 -0.04 0.00 -0.11 0.00 0.00 54.58 55.58 3mw9 n ASN 8 Cb 0.50 -1.28 0.13 0.00 1.24 0.00 0.00 39.78 40.36 3mw9 n ASN 8 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3mw9 h PHE 9 N 7.13 1.03 -0.22 1.20 -0.00 -1.92 0.28 116.94 124.44 3mw9 h PHE 9 Ca -0.47 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.97 57.30 3mw9 h PHE 9 Cb 1.29 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 36.94 3mw9 h PHE 9 CO 0.75 0.82 -0.29 0.35 -0.00 0.00 0.00 178.31 179.94 3mw9 h PHE 10 N 0.97 0.70 -0.15 0.41 3.04 -1.90 -2.59 116.94 117.42 3mw9 h PHE 10 Ca 0.22 -0.23 -0.13 0.00 3.98 0.00 0.00 57.97 61.80 3mw9 h PHE 10 Cb 0.27 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3mw9 h PHE 10 CO 0.02 0.95 -0.48 0.87 -2.02 0.00 0.00 178.31 177.65 3mw9 h LYS 11 N 0.26 0.38 -0.16 1.11 1.57 -1.90 -1.60 116.57 116.23 3mw9 h LYS 11 Ca 0.03 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3mw9 h LYS 11 Cb 0.86 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 3mw9 h LYS 11 CO 0.07 0.78 -0.23 1.98 -0.57 0.00 0.00 179.45 181.48 3mw9 h MET 12 N 0.31 -0.27 -0.71 3.15 4.05 -0.37 0.24 114.93 121.33 3mw9 h MET 12 Ca 0.02 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3mw9 h MET 12 Cb 0.96 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.78 3mw9 h MET 12 CO 0.08 -0.18 0.46 0.28 0.23 0.00 0.00 176.91 177.78 3mw9 h VAL 13 N -0.28 1.19 -0.79 -5.77 2.07 -1.35 -2.18 116.25 109.14 3mw9 h VAL 13 Ca 0.11 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.39 3mw9 h VAL 13 Cb 0.44 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 3mw9 h VAL 13 CO -0.32 0.19 0.39 -0.33 0.02 0.00 0.00 177.57 177.52 3mw9 h GLU 14 N 0.97 0.58 -0.18 1.57 5.08 -0.39 -1.00 114.58 121.22 3mw9 h GLU 14 Ca 0.26 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3mw9 h GLU 14 Cb -0.09 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 28.97 3mw9 h GLU 14 CO -0.05 0.39 -0.49 0.78 -1.00 0.00 0.00 179.01 178.63 3mw9 h GLY 15 N 0.60 -1.13 0.34 -3.84 0.00 0.08 0.27 103.07 99.38 3mw9 h GLY 15 Ca 0.42 0.69 0.19 0.00 0.00 0.00 0.00 47.33 48.63 3mw9 h GLY 15 CO -0.33 -0.22 0.59 0.74 0.00 0.00 0.00 176.54 177.31 3mw9 h PHE 16 N -0.49 0.61 0.39 5.60 0.05 -1.05 0.65 116.94 122.71 3mw9 h PHE 16 Ca 0.04 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.83 3mw9 h PHE 16 Cb 0.60 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.36 3mw9 h PHE 16 CO -0.60 0.17 -0.19 0.35 -0.18 0.00 0.00 178.31 177.86 3mw9 h PHE 17 N 0.47 -0.49 -0.67 -0.55 3.57 0.16 -2.88 116.94 116.55 3mw9 h PHE 17 Ca 0.47 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.03 3mw9 h PHE 17 Cb 1.07 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 3mw9 h PHE 17 CO -0.00 -0.25 0.34 -0.44 -2.23 0.00 0.00 178.31 175.73 3mw9 h ASP 18 N -0.62 0.47 -0.50 0.41 3.32 0.17 0.15 116.42 119.82 3mw9 h ASP 18 Ca -0.05 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.14 3mw9 h ASP 18 Cb 0.46 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 3mw9 h ASP 18 CO 0.09 0.29 0.01 -0.09 -1.72 0.00 0.00 179.24 177.81 3mw9 h ARG 19 N 0.61 0.12 -0.27 3.56 9.65 -1.13 -1.10 114.38 125.82 3mw9 h ARG 19 Ca 0.32 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 59.06 3mw9 h ARG 19 Cb 0.28 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3mw9 h ARG 19 CO -0.23 0.08 -0.37 0.78 2.80 0.00 0.00 179.97 183.03 3mw9 h GLY 20 N 0.12 0.67 0.21 2.80 0.00 -1.05 -3.07 103.07 102.75 3mw9 h GLY 20 Ca 0.25 -0.65 0.08 0.00 0.00 0.00 0.00 47.33 47.02 3mw9 h GLY 20 CO -0.41 0.59 -0.06 0.00 0.00 0.00 0.00 176.54 176.65 3mw9 h ALA 21 N 1.08 0.33 -0.57 3.60 0.00 0.44 -2.90 119.26 121.24 3mw9 h ALA 21 Ca 0.05 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3mw9 h ALA 21 Cb 0.88 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3mw9 h ALA 21 CO 0.08 -0.43 0.20 0.66 0.00 0.00 0.00 179.25 179.75 3mw9 h SER 22 N 0.04 0.81 -0.36 0.00 4.64 -1.19 0.73 113.55 118.21 3mw9 h SER 22 Ca 0.21 -0.19 0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3mw9 h SER 22 Cb 0.32 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3mw9 h SER 22 CO -0.41 0.78 0.07 0.40 -0.87 0.00 0.00 176.83 176.81 3mw9 h ILE 23 N 0.79 0.82 0.00 0.95 1.08 -1.46 -3.17 117.51 116.51 3mw9 h ILE 23 Ca 0.19 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3mw9 h ILE 23 Cb 0.25 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3mw9 h ILE 23 CO -0.01 0.04 -0.76 1.33 -0.69 0.00 0.00 178.15 178.05 3mw9 n VAL 24 N -5.10 0.01 -0.37 1.67 0.24 -1.15 -4.41 118.33 109.23 3mw9 n VAL 24 Ca 0.02 -0.02 0.28 0.00 -2.04 0.00 0.00 64.34 62.57 3mw9 n VAL 24 Cb 0.16 0.57 0.55 0.00 -1.47 0.00 0.00 33.84 33.65 3mw9 n VAL 24 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3mw9 h GLU 25 N 0.00 0.27 0.15 7.34 4.81 -0.82 0.35 114.58 126.67 3mw9 h GLU 25 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3mw9 h GLU 25 Cb 0.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3mw9 h GLU 25 CO 0.00 0.18 -0.07 -0.44 -0.73 0.00 0.00 179.01 177.94 3mw9 h ASP 26 N 0.28 -0.17 -0.73 1.04 3.45 -1.78 -2.78 116.42 115.72 3mw9 h ASP 26 Ca 0.70 -0.14 0.10 0.00 0.43 0.00 0.00 57.03 58.11 3mw9 h ASP 26 Cb 1.90 0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 40.65 3mw9 h ASP 26 CO -0.39 0.04 0.37 0.50 -1.57 0.00 0.00 179.24 178.19 3mw9 h LYS 27 N -0.38 0.61 -0.84 3.56 3.64 -0.66 0.53 116.57 123.03 3mw9 h LYS 27 Ca -0.02 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3mw9 h LYS 27 Cb 0.30 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3mw9 h LYS 27 CO 0.03 0.40 0.56 -0.07 -2.27 0.00 0.00 179.45 178.11 3mw9 h LEU 28 N 0.63 0.97 -0.62 5.20 3.38 -1.17 -1.83 115.31 121.87 3mw9 h LEU 28 Ca 0.36 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 3mw9 h LEU 28 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3mw9 h LEU 28 CO -0.27 0.71 -0.20 0.58 0.09 0.00 0.00 178.44 179.34 3mw9 h VAL 29 N 1.15 1.27 0.00 1.22 2.07 -1.07 -2.95 116.25 117.94 3mw9 h VAL 29 Ca 0.31 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3mw9 h VAL 29 Cb -0.13 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3mw9 h VAL 29 CO -0.07 0.46 0.00 1.21 0.02 0.00 0.00 177.57 179.19 3mw9 n GLU 30 N -4.12 0.00 0.00 1.57 4.07 0.10 -3.03 120.64 119.24 3mw9 n GLU 30 Ca 0.00 0.52 0.09 0.00 -0.06 0.00 0.00 57.16 57.72 3mw9 n GLU 30 Cb 0.44 -1.37 0.53 0.00 -0.06 0.00 0.00 31.44 30.97 3mw9 n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3mw9 n ASP 31 N -1.88 0.00 -4.56 4.31 3.85 -0.74 -4.58 116.55 112.96 3mw9 n ASP 31 Ca 0.00 -0.64 -0.43 0.00 -0.71 0.00 0.00 54.79 53.02 3mw9 n ASP 31 Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 3mw9 n ASP 31 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3mw9 s LEU 32 N -1.93 3.74 -0.26 -2.12 2.96 -1.11 -5.01 118.68 114.95 3mw9 s LEU 32 Ca 0.27 -0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 53.96 3mw9 s LEU 32 Cb 0.12 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 3mw9 s LEU 32 CO 0.21 -1.35 0.36 -0.54 -1.32 0.00 0.00 176.35 173.70 3mw9 s LYS 33 N 4.48 4.03 -0.06 1.98 -0.14 -1.26 -4.97 119.74 123.80 3mw9 s LYS 33 Ca 0.38 0.03 -0.13 0.00 -1.36 0.00 0.00 55.97 54.88 3mw9 s LYS 33 Cb -0.10 -3.64 0.03 0.00 -1.68 0.00 0.00 37.83 32.44 3mw9 s LYS 33 CO 0.23 -0.24 0.32 0.99 -0.76 0.00 0.00 175.35 175.89 3mw9 s THR 34 N 1.95 0.03 0.02 2.17 2.01 -1.26 -5.07 115.64 115.50 3mw9 s THR 34 Ca 0.15 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 3mw9 s THR 34 Cb -0.16 -0.55 -0.12 0.00 0.01 0.00 0.00 72.50 71.69 3mw9 s THR 34 CO 0.10 -0.15 1.18 -0.09 -0.69 0.00 0.00 174.62 174.97 3mw9 h ARG 35 N 4.66 -0.74 -1.76 4.92 9.65 -2.06 -3.00 114.38 126.05 3mw9 h ARG 35 Ca -0.28 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 3mw9 h ARG 35 Cb 1.18 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 3mw9 h ARG 35 CO 0.35 -0.49 0.00 0.39 2.80 0.00 0.00 179.97 183.02 3mw9 n GLU 36 N -4.33 0.46 -1.08 0.20 -0.58 -1.26 -4.86 120.64 109.19 3mw9 n GLU 36 Ca -0.10 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.29 3mw9 n GLU 36 Cb 0.30 -1.27 0.06 0.00 -0.57 0.00 0.00 31.44 29.96 3mw9 n GLU 36 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3mw9 n THR 37 N 1.25 0.57 0.00 2.62 5.66 -1.14 -4.63 114.28 118.62 3mw9 n THR 37 Ca 0.00 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 3mw9 n THR 37 Cb 0.23 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 3mw9 n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3mw9 n GLU 38 N 0.37 0.00 -0.33 1.09 1.02 -1.26 -4.83 120.64 116.70 3mw9 n GLU 38 Ca 0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.27 3mw9 n GLU 38 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.16 3mw9 n GLU 38 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mw9 n GLU 39 N 0.00 2.69 0.19 3.49 -0.58 -1.26 -3.86 120.64 121.31 3mw9 n GLU 39 Ca 0.00 -2.62 0.13 0.00 -0.42 0.00 0.00 57.16 54.25 3mw9 n GLU 39 Cb 0.00 -1.67 0.27 0.00 -0.57 0.00 0.00 31.44 29.47 3mw9 n GLU 39 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3mw9 h GLN 40 N 1.51 0.00 0.52 3.49 5.75 -1.88 -3.14 115.11 121.36 3mw9 h GLN 40 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3mw9 h GLN 40 Cb 1.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 3mw9 h GLN 40 CO 0.15 0.00 -0.29 0.87 -2.65 0.00 0.00 178.83 176.91 3mw9 h LYS 41 N 0.00 -0.72 -0.79 1.69 1.57 -1.82 0.83 116.57 117.33 3mw9 h LYS 41 Ca 0.00 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.01 3mw9 h LYS 41 Cb 0.89 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 33.22 3mw9 h LYS 41 CO 0.00 -0.48 0.02 0.00 -0.57 0.00 0.00 179.45 178.42 3mw9 h ARG 42 N -0.75 0.10 0.00 3.15 2.47 -1.78 0.16 114.38 117.73 3mw9 h ARG 42 Ca -0.07 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 3mw9 h ARG 42 Cb 0.60 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 3mw9 h ARG 42 CO 0.09 0.07 -0.10 -0.91 0.56 0.00 0.00 179.97 179.67 3mw9 h ASN 43 N 0.10 0.00 0.22 7.04 2.35 -1.40 -1.86 115.58 122.03 3mw9 h ASN 43 Ca 0.44 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.89 3mw9 h ASN 43 Cb 0.80 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.20 3mw9 h ASN 43 CO -0.70 0.10 -1.35 -0.09 -1.65 0.00 0.00 177.43 173.74 3mw9 h ARG 44 N 0.00 0.46 -0.76 0.81 2.43 0.17 -2.29 114.38 115.21 3mw9 h ARG 44 Ca -0.00 -0.79 -0.05 0.00 -0.81 0.00 0.00 59.98 58.32 3mw9 h ARG 44 Cb 0.64 0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 3mw9 h ARG 44 CO 0.01 1.38 0.26 0.28 -1.51 0.00 0.00 179.97 180.39 3mw9 h VAL 45 N 0.00 1.26 0.00 0.20 2.07 -1.03 -1.96 116.25 116.79 3mw9 h VAL 45 Ca -0.24 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3mw9 h VAL 45 Cb 2.03 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3mw9 h VAL 45 CO 0.23 0.35 -0.21 0.03 0.02 0.00 0.00 177.57 177.99 3mw9 h ARG 46 N 1.11 0.00 -0.11 1.57 3.08 -1.42 -1.64 114.38 116.97 3mw9 h ARG 46 Ca 0.25 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 3mw9 h ARG 46 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3mw9 h ARG 46 CO -0.01 0.21 -0.18 0.77 -1.07 0.00 0.00 179.97 179.69 3mw9 h SER 47 N 0.00 0.35 -0.46 7.04 0.02 -1.17 -2.64 113.55 116.70 3mw9 h SER 47 Ca -0.00 -0.53 -0.12 0.00 -0.84 0.00 0.00 61.79 60.30 3mw9 h SER 47 Cb 0.99 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3mw9 h SER 47 CO 0.03 0.82 -0.17 0.40 -1.14 0.00 0.00 176.83 176.77 3mw9 h ILE 48 N -0.10 1.27 -0.43 3.27 2.04 -1.28 -1.99 117.51 120.30 3mw9 h ILE 48 Ca 0.01 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3mw9 h ILE 48 Cb 0.74 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3mw9 h ILE 48 CO 0.04 0.45 0.17 -0.07 0.00 0.00 0.00 178.15 178.75 3mw9 h LEU 49 N 0.77 0.54 -1.21 1.44 3.38 -1.37 -1.22 115.31 117.63 3mw9 h LEU 49 Ca 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3mw9 h LEU 49 Cb 0.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3mw9 h LEU 49 CO 0.06 0.49 -0.14 -0.09 0.09 0.00 0.00 178.44 178.85 3mw9 h ARG 50 N 0.60 0.00 0.02 1.13 2.43 -1.04 -2.95 114.38 114.56 3mw9 h ARG 50 Ca 0.15 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.08 3mw9 h ARG 50 Cb 0.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3mw9 h ARG 50 CO -0.02 0.14 -1.18 0.82 -1.51 0.00 0.00 179.97 178.22 3mw9 h ILE 51 N 0.00 1.51 -0.05 1.20 2.04 -0.52 -3.33 117.51 118.35 3mw9 h ILE 51 Ca -0.00 -3.23 -0.14 0.00 1.00 0.00 0.00 64.86 62.49 3mw9 h ILE 51 Cb 0.67 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3mw9 h ILE 51 CO 0.02 0.87 -0.59 0.40 0.00 0.00 0.00 178.15 178.85 3mw9 h ILE 52 N 0.01 1.39 0.08 -0.67 2.04 -1.22 -3.37 117.51 115.77 3mw9 h ILE 52 Ca -0.08 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 3mw9 h ILE 52 Cb 1.84 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 3mw9 h ILE 52 CO 0.13 0.58 -0.04 0.11 0.00 0.00 0.00 178.15 178.92 3mw9 h LYS 53 N 0.13 -0.11 -6.92 2.37 1.57 -1.65 -3.45 116.57 108.51 3mw9 h LYS 53 Ca -0.00 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3mw9 h LYS 53 Cb 1.08 0.02 0.04 0.00 0.08 0.00 0.00 32.23 33.45 3mw9 h LYS 53 CO 0.09 0.17 0.48 -1.25 -0.57 0.00 0.00 179.45 178.36 3mw9 s PRO 54 N -5.09 4.19 0.19 3.15 0.04 -1.26 -5.01 135.00 131.22 3mw9 s PRO 54 Ca -0.15 1.75 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 3mw9 s PRO 54 Cb 0.03 -2.74 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 3mw9 s PRO 54 CO 0.64 -0.18 1.65 0.00 0.04 0.00 0.00 177.00 179.16 3mw9 h ASN 56 N 6.74 0.36 -3.62 0.00 -0.26 -1.13 -3.45 115.58 114.22 3mw9 h ASN 56 Ca -0.43 -0.26 -0.35 0.00 -0.56 0.00 0.00 56.30 54.70 3mw9 h ASN 56 Cb 1.20 -0.10 -0.32 0.00 -1.06 0.00 0.00 38.32 38.05 3mw9 h ASN 56 CO 0.93 0.53 -0.75 -1.00 -1.06 0.00 0.00 177.43 176.08 3mw9 s HIS 57 N -5.18 0.45 -0.07 1.19 3.76 -0.89 -5.05 115.29 109.51 3mw9 s HIS 57 Ca -0.14 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3mw9 s HIS 57 Cb 0.07 -0.42 0.02 0.00 1.11 0.00 0.00 32.58 33.37 3mw9 s HIS 57 CO 0.73 -0.10 -0.05 0.08 -0.85 0.00 0.00 174.74 174.55 3mw9 s VAL 58 N 0.61 0.69 -0.18 -0.90 1.01 -1.26 -0.62 120.40 119.74 3mw9 s VAL 58 Ca -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3mw9 s VAL 58 Cb -0.10 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 3mw9 s VAL 58 CO -0.01 0.28 -0.03 -0.22 0.00 0.00 0.00 175.10 175.13 3mw9 s LEU 59 N 1.27 3.18 -0.08 3.92 2.96 -0.22 -4.99 118.68 124.72 3mw9 s LEU 59 Ca -0.05 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3mw9 s LEU 59 Cb -0.14 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3mw9 s LEU 59 CO -0.02 0.10 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.48 3mw9 s SER 60 N 0.80 3.60 0.18 3.68 0.01 -1.26 -0.64 113.70 120.07 3mw9 s SER 60 Ca -0.01 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3mw9 s SER 60 Cb -0.14 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 3mw9 s SER 60 CO 0.02 0.25 0.06 -1.48 0.41 0.00 0.00 173.24 172.49 3mw9 s LEU 61 N -0.17 1.78 -0.07 2.44 0.05 -0.20 -4.99 118.68 117.52 3mw9 s LEU 61 Ca -0.02 -1.26 -0.02 0.00 0.05 0.00 0.00 54.13 52.89 3mw9 s LEU 61 Cb -0.14 0.14 0.03 0.00 -2.05 0.00 0.00 46.19 44.17 3mw9 s LEU 61 CO 0.03 -0.69 0.03 -0.44 -0.55 0.00 0.00 176.35 174.74 3mw9 s SER 62 N -3.16 1.48 0.02 1.48 0.01 -1.26 -1.37 113.70 110.90 3mw9 s SER 62 Ca 0.29 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3mw9 s SER 62 Cb 0.07 -0.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 3mw9 s SER 62 CO 0.06 -0.23 -0.09 0.72 0.41 0.00 0.00 173.24 174.11 3mw9 s PHE 63 N 2.06 0.78 0.22 2.43 -0.12 -0.78 -4.97 117.98 117.60 3mw9 s PHE 63 Ca 0.05 -0.30 -0.30 0.00 -0.05 0.00 0.00 56.93 56.33 3mw9 s PHE 63 Cb -0.12 -0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 41.70 3mw9 s PHE 63 CO -0.05 -0.02 1.15 -1.25 -0.05 0.00 0.00 175.22 175.01 3mw9 s PRO 64 N -0.89 4.55 -0.04 1.99 0.04 -1.26 -1.61 135.00 137.78 3mw9 s PRO 64 Ca -0.02 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.90 3mw9 s PRO 64 Cb -0.06 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3mw9 s PRO 64 CO 0.00 0.04 -0.14 0.42 0.04 0.00 0.00 177.00 177.36 3mw9 s ILE 65 N -0.51 1.16 -0.33 0.56 -1.09 0.66 -4.94 121.20 116.71 3mw9 s ILE 65 Ca 0.49 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.18 3mw9 s ILE 65 Cb -0.32 -1.02 -0.01 0.00 -1.58 0.00 0.00 42.46 39.53 3mw9 s ILE 65 CO 0.39 0.35 0.48 -0.60 -1.23 0.00 0.00 174.94 174.32 3mw9 s ARG 66 N 0.17 3.70 0.91 2.79 3.52 -1.26 -0.52 118.95 128.25 3mw9 s ARG 66 Ca -0.05 -0.13 -0.10 0.00 -0.13 0.00 0.00 55.73 55.32 3mw9 s ARG 66 Cb -0.11 -3.78 0.14 0.00 -1.56 0.00 0.00 34.95 29.65 3mw9 s ARG 66 CO 0.02 -0.56 1.12 1.03 -0.81 0.00 0.00 175.30 176.11 3mw9 s ARG 67 N 2.29 1.08 0.41 5.12 1.81 -0.06 -4.92 118.95 124.69 3mw9 s ARG 67 Ca 0.17 1.39 0.08 0.00 -1.72 0.00 0.00 55.73 55.65 3mw9 s ARG 67 Cb -0.16 -1.75 0.88 0.00 -0.45 0.00 0.00 34.95 33.47 3mw9 s ARG 67 CO 0.12 -2.53 2.06 -0.44 -0.68 0.00 0.00 175.30 173.83 3mw9 h ASP 68 N -1.79 0.45 0.06 0.23 3.45 -1.97 -2.13 116.42 114.71 3mw9 h ASP 68 Ca -0.45 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.00 3mw9 h ASP 68 Cb 1.27 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3mw9 h ASP 68 CO 0.45 0.33 0.00 -0.90 -1.57 0.00 0.00 179.24 177.54 3mw9 n ASP 69 N -4.47 0.00 0.00 6.45 3.85 -1.26 -4.87 116.55 116.24 3mw9 n ASP 69 Ca 0.03 -0.62 0.00 0.00 -0.71 0.00 0.00 54.79 53.49 3mw9 n ASP 69 Cb 0.06 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 3mw9 n ASP 69 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mw9 n GLY 70 N 0.44 3.07 3.82 6.12 0.00 -0.80 -5.08 105.19 112.77 3mw9 n GLY 70 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3mw9 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mw9 s SER 71 N -0.33 6.68 0.13 1.61 1.04 -1.26 -4.71 113.70 116.86 3mw9 s SER 71 Ca 0.00 1.70 -0.19 0.00 0.48 0.00 0.00 55.95 57.93 3mw9 s SER 71 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 3mw9 s SER 71 CO 0.00 -0.54 0.63 0.26 0.98 0.00 0.00 173.24 174.56 3mw9 s TRP 72 N -2.30 3.75 -0.02 5.02 0.52 -1.26 -0.88 118.94 123.76 3mw9 s TRP 72 Ca 0.62 1.31 0.01 0.00 0.02 0.00 0.00 56.10 58.06 3mw9 s TRP 72 Cb -0.11 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.69 3mw9 s TRP 72 CO 0.21 0.49 -0.03 -2.00 0.02 0.00 0.00 176.95 175.64 3mw9 s GLU 73 N -1.47 0.50 -0.35 4.98 2.12 0.32 -4.94 118.70 119.86 3mw9 s GLU 73 Ca 0.35 -0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.42 3mw9 s GLU 73 Cb -0.18 -0.55 -0.00 0.00 0.26 0.00 0.00 34.13 33.65 3mw9 s GLU 73 CO 0.20 -0.03 0.54 0.08 -0.54 0.00 0.00 175.26 175.52 3mw9 s VAL 74 N 0.56 4.99 -0.00 3.70 1.01 -1.26 -0.25 120.40 129.16 3mw9 s VAL 74 Ca -0.06 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 3mw9 s VAL 74 Cb -0.10 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3mw9 s VAL 74 CO -0.01 -0.22 0.15 0.27 0.00 0.00 0.00 175.10 175.30 3mw9 s ILE 75 N 2.46 5.22 -0.06 2.22 -0.00 -0.63 -4.92 121.20 125.48 3mw9 s ILE 75 Ca 0.20 -0.26 0.05 0.00 -0.00 0.00 0.00 60.65 60.64 3mw9 s ILE 75 Cb -0.15 -3.44 -0.02 0.00 -0.00 0.00 0.00 42.46 38.85 3mw9 s ILE 75 CO 0.13 0.31 -0.19 -1.83 -0.00 0.00 0.00 174.94 173.36 3mw9 s GLU 76 N -1.94 2.56 0.32 0.37 -1.05 -1.26 -1.86 118.70 115.84 3mw9 s GLU 76 Ca 0.27 -0.80 0.04 0.00 -0.15 0.00 0.00 54.97 54.33 3mw9 s GLU 76 Cb -0.12 -2.28 -0.03 0.00 -0.44 0.00 0.00 34.13 31.25 3mw9 s GLU 76 CO 0.18 0.49 0.19 0.20 0.95 0.00 0.00 175.26 177.27 3mw9 s GLY 77 N -0.41 2.19 -0.09 -3.83 0.00 -0.47 -1.33 107.32 103.37 3mw9 s GLY 77 Ca 0.04 -1.76 -0.21 0.00 0.00 0.00 0.00 44.72 42.79 3mw9 s GLY 77 CO 0.02 -1.58 0.50 -0.19 0.00 0.00 0.00 173.10 171.85 3mw9 s TYR 78 N -3.54 -0.47 -0.02 1.90 1.51 -0.37 -1.03 117.35 115.32 3mw9 s TYR 78 Ca 0.35 0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 57.36 3mw9 s TYR 78 Cb 0.04 0.23 0.03 0.00 -0.11 0.00 0.00 41.96 42.15 3mw9 s TYR 78 CO 0.20 -0.42 0.03 0.50 -1.11 0.00 0.00 175.55 174.75 3mw9 s ARG 79 N -0.72 -0.03 -0.14 -0.62 3.52 0.19 -1.15 118.95 120.00 3mw9 s ARG 79 Ca -0.08 0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.71 3mw9 s ARG 79 Cb -0.03 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 3mw9 s ARG 79 CO 0.05 -0.20 -0.05 0.00 -0.81 0.00 0.00 175.30 174.29 3mw9 s ALA 80 N 1.27 2.97 -0.28 6.12 0.00 0.25 -1.06 121.76 131.02 3mw9 s ALA 80 Ca -0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 3mw9 s ALA 80 Cb -0.13 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3mw9 s ALA 80 CO -0.03 0.28 0.05 -0.65 0.00 0.00 0.00 175.76 175.41 3mw9 s GLN 81 N 0.16 3.09 -0.12 0.00 -0.21 0.20 -1.43 119.66 121.35 3mw9 s GLN 81 Ca -0.02 -0.85 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 3mw9 s GLN 81 Cb -0.14 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 3mw9 s GLN 81 CO 0.03 -0.41 0.02 1.25 -2.12 0.00 0.00 175.29 174.06 3mw9 h HIS 82 N 8.19 0.00 -4.06 0.91 -0.00 -0.85 -2.32 115.15 117.03 3mw9 h HIS 82 Ca -0.32 0.00 -0.50 0.00 -0.00 0.00 0.00 60.37 59.55 3mw9 h HIS 82 Cb 1.13 0.00 -0.24 0.00 -0.00 0.00 0.00 27.41 28.29 3mw9 h HIS 82 CO 0.61 0.14 -0.81 0.45 -0.00 0.00 0.00 177.93 178.32 3mw9 s SER 83 N -5.71 2.02 -0.09 3.26 0.15 -1.24 -1.79 113.70 110.32 3mw9 s SER 83 Ca -0.07 -0.52 0.12 0.00 0.70 0.00 0.00 55.95 56.19 3mw9 s SER 83 Cb 0.01 -0.14 0.19 0.00 -1.71 0.00 0.00 66.02 64.37 3mw9 s SER 83 CO 0.14 0.07 1.10 0.00 1.20 0.00 0.00 173.24 175.75 3mw9 n GLN 84 N 1.73 1.89 0.29 5.44 6.02 -1.26 -3.97 117.38 127.51 3mw9 n GLN 84 Ca -0.18 -2.21 0.16 0.00 -0.01 0.00 0.00 57.00 54.76 3mw9 n GLN 84 Cb 0.54 -1.33 0.90 0.00 1.02 0.00 0.00 30.24 31.37 3mw9 n GLN 84 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 3mw9 h HIS 85 N 0.01 0.00 -4.01 1.08 2.07 -1.97 -3.40 115.15 108.94 3mw9 h HIS 85 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 3mw9 h HIS 85 Cb 0.83 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 30.57 3mw9 h HIS 85 CO 0.00 0.04 -0.80 1.03 -3.07 0.00 0.00 177.93 175.13 3mw9 s ARG 86 N -4.41 0.96 0.05 5.12 1.81 -1.26 -5.02 118.95 116.19 3mw9 s ARG 86 Ca -0.04 -0.88 0.04 0.00 -1.72 0.00 0.00 55.73 53.12 3mw9 s ARG 86 Cb 0.14 -1.01 -0.02 0.00 -0.45 0.00 0.00 34.95 33.61 3mw9 s ARG 86 CO 0.54 0.24 -0.11 0.95 -0.68 0.00 0.00 175.30 176.23 3mw9 s THR 87 N -1.02 0.88 0.93 0.02 -4.23 -1.26 -2.40 115.64 108.57 3mw9 s THR 87 Ca 0.01 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.33 3mw9 s THR 87 Cb -0.09 -0.85 0.16 0.00 1.34 0.00 0.00 72.50 73.07 3mw9 s THR 87 CO 0.02 -0.17 1.23 -2.16 -0.54 0.00 0.00 174.62 173.00 3mw9 s PRO 88 N -1.37 0.93 0.64 3.99 0.04 -1.26 -4.83 135.00 133.15 3mw9 s PRO 88 Ca -0.03 -0.12 -0.15 0.00 0.04 0.00 0.00 61.00 60.74 3mw9 s PRO 88 Cb -0.09 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3mw9 s PRO 88 CO 0.01 -2.26 1.09 0.00 0.04 0.00 0.00 177.00 175.88 3mw9 s LYS 90 N -4.12 0.09 0.00 0.00 2.47 -0.46 -0.90 119.74 116.82 3mw9 s LYS 90 Ca 0.66 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 3mw9 s LYS 90 Cb -0.19 -0.20 0.00 0.00 -1.46 0.00 0.00 37.83 35.98 3mw9 s LYS 90 CO 0.40 -0.23 0.00 0.41 0.16 0.00 0.00 175.35 176.09 3mw9 n GLY 91 N 4.75 0.70 3.93 5.54 0.00 -1.16 -2.02 105.19 116.92 3mw9 n GLY 91 Ca -0.16 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 3mw9 n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mw9 s GLY 92 N 0.00 1.74 -0.18 -0.02 0.00 -1.25 -3.09 107.32 104.52 3mw9 s GLY 92 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3mw9 s GLY 92 CO 0.00 -0.48 -0.18 -0.42 0.00 0.00 0.00 173.10 172.02 3mw9 s ILE 93 N -3.68 1.97 -0.22 0.90 1.01 0.34 -0.22 121.20 121.30 3mw9 s ILE 93 Ca 0.70 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3mw9 s ILE 93 Cb -0.06 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3mw9 s ILE 93 CO 0.50 0.49 0.03 -0.60 0.00 0.00 0.00 174.94 175.37 3mw9 s ARG 94 N 1.32 3.66 -0.30 2.79 3.52 -0.37 -2.78 118.95 126.78 3mw9 s ARG 94 Ca 0.04 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.03 3mw9 s ARG 94 Cb -0.13 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3mw9 s ARG 94 CO -0.12 -0.06 0.25 0.71 -0.81 0.00 0.00 175.30 175.27 3mw9 s TYR 95 N 1.23 3.22 -0.28 5.12 2.02 -0.81 -1.24 117.35 126.63 3mw9 s TYR 95 Ca 0.04 0.05 -0.34 0.00 -0.37 0.00 0.00 57.07 56.45 3mw9 s TYR 95 Cb -0.15 -2.47 0.17 0.00 -0.40 0.00 0.00 41.96 39.12 3mw9 s TYR 95 CO 0.02 -0.26 1.35 0.45 -1.57 0.00 0.00 175.55 175.54 3mw9 s SER 96 N 1.73 -0.04 0.00 2.29 0.15 -0.29 -4.58 113.70 112.96 3mw9 s SER 96 Ca 0.08 0.02 0.29 0.00 0.70 0.00 0.00 55.95 57.05 3mw9 s SER 96 Cb -0.16 0.04 1.30 0.00 -1.71 0.00 0.00 66.02 65.48 3mw9 s SER 96 CO 0.11 -0.05 1.92 0.35 1.20 0.00 0.00 173.24 176.76 3mw9 n THR 97 N 0.23 0.00 0.76 6.45 -2.24 -1.17 -2.98 114.28 115.33 3mw9 n THR 97 Ca 0.02 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 3mw9 n THR 97 Cb 0.58 -0.27 0.25 0.00 -2.10 0.00 0.00 70.33 68.79 3mw9 n THR 97 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mw9 n ASP 98 N -1.16 2.26 -4.75 3.42 10.43 -1.26 -4.93 116.55 120.56 3mw9 n ASP 98 Ca 0.13 -1.91 -0.40 0.00 2.57 0.00 0.00 54.79 55.18 3mw9 n ASP 98 Cb 0.27 -0.23 -0.05 0.00 1.84 0.00 0.00 41.12 42.95 3mw9 n ASP 98 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3mw9 s VAL 99 N -1.53 4.04 0.22 2.53 -7.23 -1.20 -4.90 120.40 112.32 3mw9 s VAL 99 Ca 0.31 1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 62.38 3mw9 s VAL 99 Cb 0.17 -4.26 -0.02 0.00 0.56 0.00 0.00 36.38 32.83 3mw9 s VAL 99 CO 0.23 0.44 0.33 -0.94 -0.31 0.00 0.00 175.10 174.86 3mw9 s SER 100 N -0.91 0.01 0.29 4.85 1.04 -1.26 -4.88 113.70 112.84 3mw9 s SER 100 Ca 0.43 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 3mw9 s SER 100 Cb -0.27 0.49 0.44 0.00 0.10 0.00 0.00 66.02 66.79 3mw9 s SER 100 CO 0.33 -1.00 1.90 1.62 0.98 0.00 0.00 173.24 177.07 3mw9 h VAL 101 N 2.42 1.21 -0.19 5.02 3.04 -1.98 -1.74 116.25 124.03 3mw9 h VAL 101 Ca -0.30 -0.59 -0.12 0.00 -1.01 0.00 0.00 66.70 64.68 3mw9 h VAL 101 Cb 1.25 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 3mw9 h VAL 101 CO 0.43 0.25 -0.40 0.44 -1.01 0.00 0.00 177.57 177.29 3mw9 h ASP 102 N 0.93 0.45 -0.21 3.17 3.32 -1.98 -0.61 116.42 121.49 3mw9 h ASP 102 Ca 0.23 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3mw9 h ASP 102 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3mw9 h ASP 102 CO -0.03 0.80 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.13 3mw9 h GLU 103 N 0.36 0.42 -0.25 3.56 4.81 -1.79 -1.70 114.58 120.00 3mw9 h GLU 103 Ca 0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3mw9 h GLU 103 Cb 0.85 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3mw9 h GLU 103 CO 0.07 0.70 0.10 0.28 -0.73 0.00 0.00 179.01 179.43 3mw9 h VAL 104 N 0.13 1.17 -0.86 0.32 2.07 -1.33 -1.81 116.25 115.94 3mw9 h VAL 104 Ca 0.05 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.15 3mw9 h VAL 104 Cb 0.56 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 3mw9 h VAL 104 CO 0.03 0.17 0.50 0.11 0.02 0.00 0.00 177.57 178.40 3mw9 h LYS 105 N 0.25 0.82 -0.18 1.57 1.57 -1.09 0.05 116.57 119.56 3mw9 h LYS 105 Ca 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3mw9 h LYS 105 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3mw9 h LYS 105 CO -0.01 0.54 -0.01 0.00 -0.57 0.00 0.00 179.45 179.40 3mw9 h ALA 106 N 1.47 0.24 -0.89 3.86 0.00 -1.13 -2.91 119.26 119.90 3mw9 h ALA 106 Ca 0.41 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3mw9 h ALA 106 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3mw9 h ALA 106 CO -0.24 -0.03 0.59 -0.07 0.00 0.00 0.00 179.25 179.49 3mw9 h LEU 107 N 0.06 0.94 -0.73 0.00 -0.00 -0.97 -2.08 115.31 112.54 3mw9 h LEU 107 Ca 0.05 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 3mw9 h LEU 107 Cb 0.41 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 3mw9 h LEU 107 CO 0.01 0.64 0.21 0.00 -0.00 0.00 0.00 178.44 179.30 3mw9 h ALA 108 N 1.49 0.96 -0.35 1.53 0.00 -0.90 -0.99 119.26 121.00 3mw9 h ALA 108 Ca 0.36 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3mw9 h ALA 108 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mw9 h ALA 108 CO -0.12 0.66 -0.44 0.66 0.00 0.00 0.00 179.25 180.00 3mw9 h SER 109 N 1.09 0.99 -0.85 0.00 4.64 -1.29 -1.99 113.55 116.14 3mw9 h SER 109 Ca 0.23 -0.48 0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3mw9 h SER 109 Cb 0.34 -0.28 -0.09 0.00 -0.31 0.00 0.00 62.40 62.06 3mw9 h SER 109 CO -0.00 1.28 0.46 -0.07 -0.87 0.00 0.00 176.83 177.63 3mw9 h LEU 110 N 0.73 0.61 -0.44 5.97 3.38 -1.16 -2.20 115.31 122.19 3mw9 h LEU 110 Ca 0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3mw9 h LEU 110 Cb 1.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3mw9 h LEU 110 CO 0.10 0.29 0.28 0.24 0.09 0.00 0.00 178.44 179.45 3mw9 h MET 111 N 0.70 0.59 -0.33 1.13 2.86 -0.45 0.16 114.93 119.59 3mw9 h MET 111 Ca 0.44 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.94 3mw9 h MET 111 Cb 0.55 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3mw9 h MET 111 CO -0.32 0.42 -0.20 0.00 1.06 0.00 0.00 176.91 177.87 3mw9 h THR 112 N 0.59 1.26 -0.16 2.22 1.03 -0.97 -0.96 112.91 115.93 3mw9 h THR 112 Ca 0.16 -1.24 -0.21 0.00 -0.01 0.00 0.00 66.41 65.10 3mw9 h THR 112 Cb -0.03 1.23 0.01 0.00 -1.07 0.00 0.00 68.15 68.28 3mw9 h THR 112 CO -0.03 0.41 -0.75 1.88 -0.01 0.00 0.00 175.52 177.02 3mw9 h TYR 113 N 0.56 1.00 -0.14 0.00 0.99 -1.15 -2.88 116.97 115.34 3mw9 h TYR 113 Ca 0.09 -0.43 0.04 0.00 2.00 0.00 0.00 58.73 60.42 3mw9 h TYR 113 Cb 0.65 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.19 3mw9 h TYR 113 CO 0.03 1.25 -0.10 -0.22 -0.00 0.00 0.00 178.16 179.12 3mw9 h LYS 114 N 0.52 -0.09 -0.49 4.88 3.64 -0.41 -1.37 116.57 123.25 3mw9 h LYS 114 Ca -0.04 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3mw9 h LYS 114 Cb 1.36 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 3mw9 h LYS 114 CO 0.15 -0.06 0.14 0.00 -2.27 0.00 0.00 179.45 177.40 3mw9 h ALA 116 N 1.45 0.24 -0.64 0.00 0.00 -1.21 0.20 119.26 119.30 3mw9 h ALA 116 Ca 0.16 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3mw9 h ALA 116 Cb 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3mw9 h ALA 116 CO -0.01 -0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.52 3mw9 h VAL 117 N 0.19 0.69 -0.52 0.00 2.07 -0.94 -1.63 116.25 116.12 3mw9 h VAL 117 Ca 0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3mw9 h VAL 117 Cb 0.09 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3mw9 h VAL 117 CO -0.01 0.07 0.00 1.33 0.02 0.00 0.00 177.57 178.98 3mw9 n VAL 118 N -5.05 1.74 -2.55 2.57 0.24 -1.06 -4.81 118.33 109.40 3mw9 n VAL 118 Ca 0.10 -1.02 -0.21 0.00 -2.04 0.00 0.00 64.34 61.17 3mw9 n VAL 118 Cb 0.33 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3mw9 n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3mw9 n ASP 119 N 0.78 -5.98 -4.63 -1.34 8.00 -0.31 -4.98 116.55 108.10 3mw9 n ASP 119 Ca 0.22 -0.08 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 3mw9 n ASP 119 Cb 0.84 -4.94 -0.09 0.00 -0.02 0.00 0.00 41.12 36.91 3mw9 n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mw9 s VAL 120 N -3.08 5.20 -1.19 2.53 1.01 0.56 -4.99 120.40 120.44 3mw9 s VAL 120 Ca 0.07 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 3mw9 s VAL 120 Cb -0.03 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 3mw9 s VAL 120 CO 0.09 0.20 3.13 -0.81 0.00 0.00 0.00 175.10 177.71 3mw9 n PRO 121 N 5.02 3.27 -4.29 2.72 -0.04 -1.26 -4.37 135.00 136.05 3mw9 n PRO 121 Ca -0.09 -1.91 -0.22 0.00 -0.04 0.00 0.00 63.50 61.24 3mw9 n PRO 121 Cb 0.51 -2.58 -0.12 0.00 -0.04 0.00 0.00 33.50 31.27 3mw9 n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mw9 s PHE 122 N 1.77 1.70 0.66 0.54 2.99 -1.26 -4.30 117.98 120.07 3mw9 s PHE 122 Ca 0.69 -0.47 -0.04 0.00 0.00 0.00 0.00 56.93 57.11 3mw9 s PHE 122 Cb 0.22 -0.89 0.05 0.00 0.00 0.00 0.00 43.02 42.41 3mw9 s PHE 122 CO -0.05 0.24 0.95 0.20 -0.00 0.00 0.00 175.22 176.56 3mw9 s GLY 123 N -2.31 1.73 0.21 4.36 0.00 -1.01 -4.78 107.32 105.52 3mw9 s GLY 123 Ca 0.10 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 3mw9 s GLY 123 CO 0.05 -0.68 0.47 -0.32 0.00 0.00 0.00 173.10 172.61 3mw9 s GLY 124 N -4.50 2.11 0.18 0.20 0.00 -1.25 -1.35 107.32 102.71 3mw9 s GLY 124 Ca 0.59 -0.51 -0.21 0.00 0.00 0.00 0.00 44.72 44.60 3mw9 s GLY 124 CO 0.43 -0.41 0.57 0.00 0.00 0.00 0.00 173.10 173.68 3mw9 s ALA 125 N -1.82 -1.32 -0.24 3.20 0.00 -0.86 -0.20 121.76 120.52 3mw9 s ALA 125 Ca 0.43 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 3mw9 s ALA 125 Cb -0.11 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.94 3mw9 s ALA 125 CO 0.25 -0.79 0.83 0.21 0.00 0.00 0.00 175.76 176.26 3mw9 s LYS 126 N -3.81 0.75 0.22 0.00 2.47 -0.52 -3.34 119.74 115.51 3mw9 s LYS 126 Ca 0.04 0.74 0.09 0.00 -1.56 0.00 0.00 55.97 55.29 3mw9 s LYS 126 Cb -0.01 0.36 -0.05 0.00 -1.46 0.00 0.00 37.83 36.67 3mw9 s LYS 126 CO -0.08 -0.12 -0.17 0.00 0.16 0.00 0.00 175.35 175.14 3mw9 s ALA 127 N 0.07 2.20 -0.10 3.13 0.00 0.70 -0.59 121.76 127.16 3mw9 s ALA 127 Ca -0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 3mw9 s ALA 127 Cb -0.04 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3mw9 s ALA 127 CO -0.00 0.15 0.25 0.20 0.00 0.00 0.00 175.76 176.36 3mw9 s GLY 128 N -3.24 -0.17 -0.12 0.00 0.00 -0.30 -1.24 107.32 102.26 3mw9 s GLY 128 Ca 0.23 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 45.83 3mw9 s GLY 128 CO 0.09 0.99 -0.09 0.14 0.00 0.00 0.00 173.10 174.23 3mw9 s VAL 129 N 0.79 3.43 -1.18 1.40 1.01 -0.37 -1.24 120.40 124.24 3mw9 s VAL 129 Ca -0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3mw9 s VAL 129 Cb -0.07 -2.44 0.24 0.00 0.00 0.00 0.00 36.38 34.11 3mw9 s VAL 129 CO -0.05 0.54 1.57 1.17 0.00 0.00 0.00 175.10 178.32 3mw9 n LYS 130 N 3.13 3.89 -4.11 2.72 4.81 -0.44 -2.05 118.16 126.11 3mw9 n LYS 130 Ca -0.18 -4.08 -0.08 0.00 -0.87 0.00 0.00 58.31 53.10 3mw9 n LYS 130 Cb 0.53 -2.74 -0.10 0.00 0.02 0.00 0.00 35.03 32.74 3mw9 n LYS 130 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3mw9 s ILE 131 N -0.85 0.32 -0.35 3.15 -4.36 -1.16 -4.69 121.20 113.25 3mw9 s ILE 131 Ca 0.36 -1.85 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 3mw9 s ILE 131 Cb 0.03 -1.60 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 3mw9 s ILE 131 CO 0.03 -0.93 0.27 0.21 0.24 0.00 0.00 174.94 174.76 3mw9 s ASN 132 N -2.96 6.09 0.65 4.36 3.04 -1.26 -1.14 114.94 123.71 3mw9 s ASN 132 Ca 0.09 -0.46 0.42 0.00 0.04 0.00 0.00 52.86 52.95 3mw9 s ASN 132 Cb 0.07 -2.15 2.25 0.00 -1.54 0.00 0.00 41.25 39.89 3mw9 s ASN 132 CO -0.08 -0.28 2.32 -0.65 -3.04 0.00 0.00 177.10 175.37 3mw9 h PRO 133 N 8.51 0.00 0.00 0.43 0.11 -1.94 -2.22 132.00 136.89 3mw9 h PRO 133 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3mw9 h PRO 133 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mw9 h PRO 133 CO 0.66 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.32 3mw9 h LYS 134 N 0.00 0.00 -0.31 1.05 1.57 -1.99 -2.60 116.57 114.28 3mw9 h LYS 134 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mw9 h LYS 134 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3mw9 h LYS 134 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3mw9 n ASN 135 N -2.92 1.74 -4.12 0.86 3.02 -0.83 -4.89 115.26 108.12 3mw9 n ASN 135 Ca 0.01 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.39 3mw9 n ASN 135 Cb 0.32 -0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.14 3mw9 n ASN 135 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mw9 s TYR 136 N -1.58 1.21 0.58 3.10 1.51 -0.98 -5.09 117.35 116.09 3mw9 s TYR 136 Ca 0.23 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.82 3mw9 s TYR 136 Cb 0.12 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 3mw9 s TYR 136 CO 0.16 0.01 1.11 0.95 -1.11 0.00 0.00 175.55 176.67 3mw9 s THR 137 N -0.59 3.27 0.38 -0.71 -4.23 -1.26 -4.83 115.64 107.67 3mw9 s THR 137 Ca 0.03 0.72 0.18 0.00 -1.18 0.00 0.00 61.69 61.44 3mw9 s THR 137 Cb -0.07 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 70.90 3mw9 s THR 137 CO 0.00 -0.24 1.72 0.44 -0.54 0.00 0.00 174.62 176.00 3mw9 h ASP 138 N 0.83 0.48 -0.72 3.99 3.32 -1.98 0.12 116.42 122.45 3mw9 h ASP 138 Ca -0.49 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 3mw9 h ASP 138 Cb 1.25 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 3mw9 h ASP 138 CO 0.56 0.02 0.22 -1.13 -1.72 0.00 0.00 179.24 177.19 3mw9 h ASN 139 N 0.38 1.05 -0.48 6.45 -1.24 -2.00 -1.96 115.58 117.79 3mw9 h ASN 139 Ca 0.66 -0.21 -0.13 0.00 0.71 0.00 0.00 56.30 57.33 3mw9 h ASN 139 Cb 1.63 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 3mw9 h ASN 139 CO -0.40 0.98 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.19 3mw9 h GLU 140 N 1.07 0.99 -0.02 6.67 5.08 -1.22 -2.56 114.58 124.57 3mw9 h GLU 140 Ca 0.23 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3mw9 h GLU 140 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3mw9 h GLU 140 CO -0.01 1.10 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.74 3mw9 h LEU 141 N 0.84 0.04 -0.16 1.33 3.38 -0.87 -2.04 115.31 117.84 3mw9 h LEU 141 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3mw9 h LEU 141 Cb 0.79 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3mw9 h LEU 141 CO 0.07 0.34 -0.06 -0.08 0.09 0.00 0.00 178.44 178.79 3mw9 h GLU 142 N 0.04 0.32 -0.73 1.13 4.81 -1.14 -2.65 114.58 116.35 3mw9 h GLU 142 Ca 0.00 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3mw9 h GLU 142 Cb 0.55 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 3mw9 h GLU 142 CO 0.04 0.62 0.41 0.87 -0.73 0.00 0.00 179.01 180.22 3mw9 h LYS 143 N -0.00 0.70 -0.34 1.92 1.57 -1.03 -1.74 116.57 117.65 3mw9 h LYS 143 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3mw9 h LYS 143 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3mw9 h LYS 143 CO 0.02 0.46 0.03 0.82 -0.57 0.00 0.00 179.45 180.21 3mw9 h ILE 144 N 0.72 1.25 0.00 1.86 2.04 -1.38 -1.80 117.51 120.20 3mw9 h ILE 144 Ca 0.34 -0.90 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 3mw9 h ILE 144 Cb 0.26 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3mw9 h ILE 144 CO -0.21 0.30 -0.77 0.71 0.00 0.00 0.00 178.15 178.17 3mw9 h THR 145 N 0.40 1.44 -0.34 -0.27 1.35 -1.22 -0.40 112.91 113.88 3mw9 h THR 145 Ca 0.10 -2.74 -0.16 0.00 -0.55 0.00 0.00 66.41 63.06 3mw9 h THR 145 Cb 0.40 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3mw9 h THR 145 CO 0.01 0.76 -0.40 0.03 -0.25 0.00 0.00 175.52 175.66 3mw9 h ARG 146 N 0.00 0.87 -0.15 4.72 3.08 -1.31 -2.17 114.38 119.43 3mw9 h ARG 146 Ca -0.01 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 3mw9 h ARG 146 Cb 1.46 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 3mw9 h ARG 146 CO 0.10 1.13 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.94 3mw9 h ARG 147 N 0.67 0.33 -0.57 0.04 9.65 -1.29 -2.53 114.38 120.68 3mw9 h ARG 147 Ca 0.05 -0.16 0.11 0.00 -1.10 0.00 0.00 59.98 58.88 3mw9 h ARG 147 Cb 1.00 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.49 3mw9 h ARG 147 CO 0.10 0.68 0.09 0.35 2.80 0.00 0.00 179.97 183.99 3mw9 h PHE 148 N -0.02 0.13 -0.59 2.20 3.57 -1.10 -1.27 116.94 119.86 3mw9 h PHE 148 Ca 0.03 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3mw9 h PHE 148 Cb 0.60 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 3mw9 h PHE 148 CO 0.07 -0.06 0.30 1.15 -2.23 0.00 0.00 178.31 177.55 3mw9 h THR 149 N 0.22 0.93 -0.23 4.41 2.02 -1.33 0.09 112.91 119.02 3mw9 h THR 149 Ca 0.30 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3mw9 h THR 149 Cb 0.44 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3mw9 h THR 149 CO -0.41 0.10 0.02 0.24 0.37 0.00 0.00 175.52 175.85 3mw9 h MET 150 N 0.56 0.10 -0.36 6.66 2.86 -0.81 -0.23 114.93 123.71 3mw9 h MET 150 Ca 0.27 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.77 3mw9 h MET 150 Cb 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3mw9 h MET 150 CO -0.19 0.06 -0.30 0.93 1.06 0.00 0.00 176.91 178.47 3mw9 h GLU 151 N 0.10 0.78 -0.94 1.72 4.39 -1.08 -1.11 114.58 118.43 3mw9 h GLU 151 Ca 0.11 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.48 3mw9 h GLU 151 Cb 0.12 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 3mw9 h GLU 151 CO -0.16 0.98 0.62 -0.07 -1.16 0.00 0.00 179.01 179.21 3mw9 h LEU 152 N 0.66 1.03 -0.48 1.33 3.38 -0.85 -3.18 115.31 117.20 3mw9 h LEU 152 Ca 0.07 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3mw9 h LEU 152 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3mw9 h LEU 152 CO 0.07 0.71 -0.72 0.00 0.09 0.00 0.00 178.44 178.59 3mw9 h ALA 153 N 1.38 0.69 -0.01 1.53 0.00 -0.39 0.11 119.26 122.58 3mw9 h ALA 153 Ca 0.37 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3mw9 h ALA 153 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mw9 h ALA 153 CO -0.12 0.80 -0.32 0.87 0.00 0.00 0.00 179.25 180.49 3mw9 h LYS 154 N 0.17 0.01 -0.35 0.00 1.57 -1.21 -2.69 116.57 114.07 3mw9 h LYS 154 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3mw9 h LYS 154 Cb 1.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3mw9 h LYS 154 CO 0.11 0.33 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 3mw9 n LYS 155 N -4.16 3.35 -3.32 3.15 4.76 -1.21 -4.97 118.16 115.76 3mw9 n LYS 155 Ca -0.02 -2.84 -0.20 0.00 -2.87 0.00 0.00 58.31 52.38 3mw9 n LYS 155 Cb 0.36 -1.88 0.06 0.00 -1.84 0.00 0.00 35.03 31.73 3mw9 n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mw9 n GLY 156 N -0.11 -0.32 1.13 0.72 0.00 -1.02 -4.92 105.19 100.66 3mw9 n GLY 156 Ca 0.22 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.41 3mw9 n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mw9 n PHE 157 N -4.57 1.03 -3.74 1.61 3.01 0.39 -4.89 117.46 110.29 3mw9 n PHE 157 Ca -0.01 -0.64 -0.14 0.00 1.01 0.00 0.00 57.45 57.67 3mw9 n PHE 157 Cb 0.56 -0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.76 3mw9 n PHE 157 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3mw9 s ILE 158 N -1.80 0.05 0.00 4.37 2.07 -1.23 -4.82 121.20 119.84 3mw9 s ILE 158 Ca 0.40 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3mw9 s ILE 158 Cb 0.27 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 42.22 3mw9 s ILE 158 CO 0.18 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 3mw9 n GLY 159 N 1.35 4.00 0.41 1.50 0.00 -0.07 -4.75 105.19 107.62 3mw9 n GLY 159 Ca -0.21 -0.85 0.21 0.00 0.00 0.00 0.00 46.02 45.18 3mw9 n GLY 159 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mw9 h PRO 160 N 0.00 0.16 -0.02 1.61 0.11 -1.81 -1.02 132.00 131.02 3mw9 h PRO 160 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3mw9 h PRO 160 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3mw9 h PRO 160 CO 0.00 0.10 -0.01 0.41 -0.21 0.00 0.00 178.00 178.30 3mw9 n GLY 161 N -1.61 0.12 0.95 -0.55 0.00 -1.26 -4.65 105.19 98.18 3mw9 n GLY 161 Ca 0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3mw9 n GLY 161 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mw9 n VAL 162 N 0.86 0.13 -3.47 1.61 0.31 -0.97 -4.44 118.33 112.35 3mw9 n VAL 162 Ca 0.09 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.42 3mw9 n VAL 162 Cb 0.39 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 3mw9 n VAL 162 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mw9 s ASP 163 N -5.18 -0.99 -0.31 4.52 3.68 -0.43 -0.88 116.67 117.09 3mw9 s ASP 163 Ca -0.02 1.17 0.03 0.00 2.13 0.00 0.00 52.55 55.86 3mw9 s ASP 163 Cb 0.01 2.05 0.08 0.00 -1.45 0.00 0.00 42.92 43.61 3mw9 s ASP 163 CO 0.03 -0.19 -0.01 -0.69 0.13 0.00 0.00 175.17 174.43 3mw9 s VAL 164 N 2.77 2.30 0.56 1.11 1.01 -0.08 -0.90 120.40 127.18 3mw9 s VAL 164 Ca -0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 61.98 59.89 3mw9 s VAL 164 Cb -0.11 -2.54 0.13 0.00 0.00 0.00 0.00 36.38 33.87 3mw9 s VAL 164 CO -0.18 -0.34 0.67 -2.65 0.00 0.00 0.00 175.10 172.60 3mw9 n PRO 165 N 4.36 -1.10 -3.73 2.72 -0.02 -1.23 -3.00 135.00 133.00 3mw9 n PRO 165 Ca -0.05 -1.05 -0.01 0.00 -2.02 0.00 0.00 63.50 60.37 3mw9 n PRO 165 Cb 0.42 -0.77 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 3mw9 n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mw9 s ALA 166 N -3.71 -1.87 0.65 3.55 0.00 -1.18 -0.85 121.76 118.34 3mw9 s ALA 166 Ca 0.39 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 3mw9 s ALA 166 Cb -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3mw9 s ALA 166 CO 0.28 -1.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.78 3mw9 s PRO 167 N -2.84 3.36 0.00 0.00 0.04 -1.26 -0.51 135.00 133.79 3mw9 s PRO 167 Ca 0.14 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3mw9 s PRO 167 Cb 0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3mw9 s PRO 167 CO 0.00 -0.75 0.00 -3.47 0.04 0.00 0.00 177.00 172.83 3mw9 n ASP 168 N -2.87 1.42 -4.65 6.66 -0.08 -1.12 -4.44 116.55 111.48 3mw9 n ASP 168 Ca 0.06 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.92 3mw9 n ASP 168 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 3mw9 n ASP 168 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3mw9 s MET 169 N 4.02 4.06 0.00 -0.67 -1.94 -1.26 -2.91 119.30 120.59 3mw9 s MET 169 Ca 0.00 1.93 0.00 0.00 -1.71 0.00 0.00 55.69 55.91 3mw9 s MET 169 Cb 0.00 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.87 3mw9 s MET 169 CO 0.00 -0.98 0.00 0.43 -0.01 0.00 0.00 175.02 174.46 3mw9 n SER 170 N 7.51 -2.40 -4.10 3.03 7.64 -1.26 -1.92 113.62 122.12 3mw9 n SER 170 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 3mw9 n SER 170 Cb 0.44 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 3mw9 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mw9 s THR 171 N -2.00 0.41 0.00 0.44 -4.23 -1.15 -4.71 115.64 104.41 3mw9 s THR 171 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3mw9 s THR 171 Cb 0.00 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.54 3mw9 s THR 171 CO 0.00 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 3mw9 n GLY 172 N 0.41 1.88 0.11 3.99 0.00 -1.26 -4.24 105.19 106.09 3mw9 n GLY 172 Ca -0.16 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.02 3mw9 n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mw9 n GLU 173 N 0.00 -0.03 0.18 1.61 1.02 -1.25 -1.58 120.64 120.60 3mw9 n GLU 173 Ca 0.00 0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 57.50 3mw9 n GLU 173 Cb 0.00 -0.79 -0.08 0.00 -0.02 0.00 0.00 31.44 30.55 3mw9 n GLU 173 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3mw9 h ARG 174 N 0.00 -0.45 -0.22 3.49 2.43 -1.95 -0.17 114.38 117.51 3mw9 h ARG 174 Ca 0.21 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3mw9 h ARG 174 Cb 0.46 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3mw9 h ARG 174 CO -0.31 -0.15 -0.18 1.05 -1.51 0.00 0.00 179.97 178.88 3mw9 h GLU 175 N -0.78 0.37 -0.69 0.20 9.09 -1.69 -1.68 114.58 119.41 3mw9 h GLU 175 Ca -0.05 -0.11 -0.00 0.00 0.05 0.00 0.00 59.36 59.25 3mw9 h GLU 175 Cb 0.52 -0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.55 3mw9 h GLU 175 CO 0.08 0.55 0.41 0.52 0.05 0.00 0.00 179.01 180.62 3mw9 h MET 176 N 0.34 0.93 -0.64 1.06 2.86 -1.34 -0.76 114.93 117.39 3mw9 h MET 176 Ca 0.06 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3mw9 h MET 176 Cb 0.52 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3mw9 h MET 176 CO 0.03 0.66 0.10 1.03 1.06 0.00 0.00 176.91 179.79 3mw9 h SER 177 N 0.95 1.02 -0.69 1.22 0.87 -0.12 -2.28 113.55 114.52 3mw9 h SER 177 Ca 0.25 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 3mw9 h SER 177 Cb -0.03 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3mw9 h SER 177 CO -0.05 1.02 0.21 -0.50 -0.53 0.00 0.00 176.83 176.99 3mw9 h TRP 178 N 0.98 1.12 0.63 2.24 6.55 -0.68 -2.20 115.95 124.58 3mw9 h TRP 178 Ca 0.19 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 59.89 3mw9 h TRP 178 Cb 0.44 -0.32 0.01 0.00 -0.86 0.00 0.00 29.16 28.43 3mw9 h TRP 178 CO 0.03 0.90 -0.30 0.82 -1.05 0.00 0.00 178.44 178.84 3mw9 h ILE 179 N 1.02 0.28 -0.98 1.49 2.04 -0.95 -1.68 117.51 118.73 3mw9 h ILE 179 Ca 0.22 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.96 3mw9 h ILE 179 Cb 0.31 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 3mw9 h ILE 179 CO -0.01 0.03 0.62 0.00 0.00 0.00 0.00 178.15 178.79 3mw9 h ALA 180 N -0.78 1.56 -0.02 1.87 0.00 -1.45 -0.71 119.26 119.73 3mw9 h ALA 180 Ca -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mw9 h ALA 180 Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mw9 h ALA 180 CO 0.14 0.21 0.00 0.22 0.00 0.00 0.00 179.25 179.82 3mw9 h ASP 181 N 0.96 0.03 -0.09 0.00 3.58 -1.25 0.10 116.42 119.76 3mw9 h ASP 181 Ca 0.48 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 3mw9 h ASP 181 Cb 0.48 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3mw9 h ASP 181 CO -0.24 0.30 -0.16 0.00 -2.88 0.00 0.00 179.24 176.27 3mw9 h THR 182 N -0.24 1.23 0.35 2.25 1.03 -0.90 -1.56 112.91 115.08 3mw9 h THR 182 Ca 0.01 -1.05 -0.02 0.00 -0.01 0.00 0.00 66.41 65.34 3mw9 h THR 182 Cb 0.28 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 3mw9 h THR 182 CO 0.00 0.34 -0.17 0.22 -0.01 0.00 0.00 175.52 175.90 3mw9 h TYR 183 N 0.41 -0.43 -0.09 0.00 3.20 -1.06 -2.70 116.97 116.31 3mw9 h TYR 183 Ca 0.07 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3mw9 h TYR 183 Cb 0.52 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3mw9 h TYR 183 CO 0.02 -0.14 0.07 0.00 -1.64 0.00 0.00 178.16 176.46 3mw9 h ALA 184 N -0.12 1.91 0.00 1.82 0.00 -0.66 -1.10 119.26 121.10 3mw9 h ALA 184 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mw9 h ALA 184 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mw9 h ALA 184 CO 0.08 -0.12 -0.51 0.43 0.00 0.00 0.00 179.25 179.14 3mw9 n SER 185 N -4.24 0.56 0.00 0.00 7.64 -0.60 -3.21 113.62 113.77 3mw9 n SER 185 Ca -0.01 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3mw9 n SER 185 Cb 0.18 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3mw9 n SER 185 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3mw9 n THR 186 N -1.81 0.00 -0.30 0.44 -1.04 -0.88 -4.77 114.28 105.92 3mw9 n THR 186 Ca 0.05 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.11 3mw9 n THR 186 Cb 0.39 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.10 3mw9 n THR 186 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3mw9 h ILE 187 N 0.00 0.83 -0.32 12.58 1.08 -1.77 -2.70 117.51 127.21 3mw9 h ILE 187 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3mw9 h ILE 187 Cb 0.00 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 3mw9 h ILE 187 CO 0.00 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.20 3mw9 n GLY 188 N -1.32 0.72 0.32 5.37 0.00 -0.47 -4.48 105.19 105.33 3mw9 n GLY 188 Ca 0.15 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3mw9 n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3mw9 h HIS 189 N 1.87 0.35 -0.01 1.61 6.17 -1.44 0.30 115.15 124.00 3mw9 h HIS 189 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 3mw9 h HIS 189 Cb 0.52 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.34 3mw9 h HIS 189 CO 0.25 0.20 -0.51 0.66 0.71 0.00 0.00 177.93 179.24 3mw9 n TYR 190 N -4.48 0.00 -2.58 5.26 4.02 -1.26 -4.94 117.16 113.18 3mw9 n TYR 190 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.51 3mw9 n TYR 190 Cb 0.23 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 3mw9 n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3mw9 s ASP 191 N -2.62 6.81 0.65 7.72 -1.08 0.09 -4.90 116.67 123.34 3mw9 s ASP 191 Ca 0.18 0.98 0.32 0.00 -0.52 0.00 0.00 52.55 53.51 3mw9 s ASP 191 Cb 0.18 -2.54 1.76 0.00 -1.46 0.00 0.00 42.92 40.86 3mw9 s ASP 191 CO 0.62 -1.00 2.02 -0.29 0.52 0.00 0.00 175.17 177.04 3mw9 h ILE 192 N 5.88 0.11 -0.28 4.11 2.10 -1.92 -0.41 117.51 127.11 3mw9 h ILE 192 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.72 3mw9 h ILE 192 Cb 1.07 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 3mw9 h ILE 192 CO 1.05 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.71 3mw9 n ASN 193 N -3.15 3.59 -0.36 2.19 3.02 -1.26 -4.77 115.26 114.52 3mw9 n ASN 193 Ca -0.00 -2.73 0.30 0.00 -0.03 0.00 0.00 54.58 52.11 3mw9 n ASN 193 Cb 0.35 -0.45 0.56 0.00 -0.61 0.00 0.00 39.78 39.62 3mw9 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mw9 h ALA 194 N 1.83 2.24 -0.00 5.41 0.00 -1.31 0.87 119.26 128.30 3mw9 h ALA 194 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mw9 h ALA 194 Cb 1.24 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3mw9 h ALA 194 CO 0.16 -0.90 -0.05 0.72 0.00 0.00 0.00 179.25 179.18 3mw9 n HIS 195 N -5.00 0.00 0.47 0.00 8.25 -1.26 -2.93 115.22 114.75 3mw9 n HIS 195 Ca 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.85 3mw9 n HIS 195 Cb 1.19 -0.17 0.18 0.00 1.12 0.00 0.00 29.99 32.30 3mw9 n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mw9 n ALA 196 N -1.01 2.82 0.45 -1.41 0.00 0.30 -4.32 120.51 117.33 3mw9 n ALA 196 Ca 0.16 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.96 3mw9 n ALA 196 Cb 0.24 -1.02 0.36 0.00 0.00 0.00 0.00 19.45 19.03 3mw9 n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mw9 s VAL 198 N -3.20 0.11 0.34 0.00 0.11 -1.26 -3.50 120.40 112.99 3mw9 s VAL 198 Ca 0.08 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3mw9 s VAL 198 Cb 0.09 -1.07 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 3mw9 s VAL 198 CO 0.59 -0.48 0.05 0.42 -3.33 0.00 0.00 175.10 172.35 3mw9 s THR 199 N -3.05 1.34 0.00 5.04 -4.23 -0.03 -4.77 115.64 109.93 3mw9 s THR 199 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3mw9 s THR 199 Cb 0.01 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3mw9 s THR 199 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3mw9 n GLY 200 N -0.74 0.75 3.83 3.99 0.00 -1.26 -4.26 105.19 107.50 3mw9 n GLY 200 Ca -0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3mw9 n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mw9 s LYS 201 N -2.72 2.83 0.75 1.61 1.02 -1.26 -3.89 119.74 118.08 3mw9 s LYS 201 Ca 0.00 0.80 -0.14 0.00 0.02 0.00 0.00 55.97 56.66 3mw9 s LYS 201 Cb 0.00 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.37 3mw9 s LYS 201 CO 0.00 -1.13 1.16 -2.14 -0.92 0.00 0.00 175.35 172.32 3mw9 s PRO 202 N -5.12 2.14 0.20 -1.68 0.02 -1.26 -3.80 135.00 125.50 3mw9 s PRO 202 Ca 0.58 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 3mw9 s PRO 202 Cb -0.13 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.67 3mw9 s PRO 202 CO 0.54 -1.79 1.86 0.82 -0.33 0.00 0.00 177.00 178.10 3mw9 h ILE 203 N -0.55 1.14 -0.61 2.83 1.08 -1.91 0.32 117.51 119.81 3mw9 h ILE 203 Ca -0.46 -0.30 0.15 0.00 -0.39 0.00 0.00 64.86 63.86 3mw9 h ILE 203 Cb 1.27 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 3mw9 h ILE 203 CO 0.50 0.16 0.43 0.77 -0.69 0.00 0.00 178.15 179.31 3mw9 h SER 204 N 0.88 0.16 -0.57 1.72 4.64 -1.91 -1.76 113.55 116.70 3mw9 h SER 204 Ca 0.25 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3mw9 h SER 204 Cb -0.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3mw9 h SER 204 CO -0.07 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3mw9 n GLN 205 N -4.42 4.59 0.00 4.77 1.13 -0.74 -4.91 117.38 117.81 3mw9 n GLN 205 Ca 0.11 -3.01 0.00 0.00 -1.94 0.00 0.00 57.00 52.16 3mw9 n GLN 205 Cb 0.57 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.73 3mw9 n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mw9 n GLY 206 N 0.71 0.82 3.38 1.08 0.00 -0.66 -4.79 105.19 105.73 3mw9 n GLY 206 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3mw9 n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mw9 s GLY 207 N -1.55 1.46 0.08 -0.02 0.00 0.11 -4.79 107.32 102.61 3mw9 s GLY 207 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 44.72 44.26 3mw9 s GLY 207 CO 0.00 0.35 -0.22 -1.50 0.00 0.00 0.00 173.10 171.73 3mw9 s ILE 208 N -2.35 1.79 -0.25 0.90 2.07 -1.26 -4.61 121.20 117.49 3mw9 s ILE 208 Ca 0.69 -1.44 -0.40 0.00 -1.41 0.00 0.00 60.65 58.09 3mw9 s ILE 208 Cb -0.18 -1.59 -0.16 0.00 0.13 0.00 0.00 42.46 40.66 3mw9 s ILE 208 CO 0.61 0.08 1.71 1.57 -1.91 0.00 0.00 174.94 177.01 3mw9 n HIS 209 N 1.38 2.01 -0.24 3.50 -0.00 -1.26 -2.59 115.22 118.02 3mw9 n HIS 209 Ca -0.18 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 3mw9 n HIS 209 Cb 0.53 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.07 3mw9 n HIS 209 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3mw9 n GLY 210 N 4.07 0.72 0.33 1.57 0.00 -1.26 -4.91 105.19 105.72 3mw9 n GLY 210 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 3mw9 n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mw9 h ARG 211 N 4.14 1.14 0.00 1.61 9.65 -1.89 0.33 114.38 129.36 3mw9 h ARG 211 Ca 0.00 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 3mw9 h ARG 211 Cb 0.00 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.34 3mw9 h ARG 211 CO 0.00 0.80 -0.03 0.97 2.80 0.00 0.00 179.97 184.51 3mw9 h ILE 212 N 1.16 0.12 -0.01 1.20 2.10 -1.92 -2.32 117.51 117.84 3mw9 h ILE 212 Ca 0.30 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.90 3mw9 h ILE 212 Cb -0.05 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 3mw9 h ILE 212 CO -0.06 0.03 -0.16 -1.54 -1.08 0.00 0.00 178.15 175.34 3mw9 n SER 213 N -3.20 1.28 -0.34 2.19 3.41 -0.70 -4.72 113.62 111.54 3mw9 n SER 213 Ca -0.01 -1.14 0.18 0.00 -0.26 0.00 0.00 58.87 57.64 3mw9 n SER 213 Cb 0.21 0.38 0.39 0.00 -0.26 0.00 0.00 64.21 64.93 3mw9 n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mw9 h ALA 214 N 1.65 1.75 0.03 7.33 0.00 0.20 0.14 119.26 130.37 3mw9 h ALA 214 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3mw9 h ALA 214 Cb 0.33 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3mw9 h ALA 214 CO 0.00 -0.33 -1.01 0.00 0.00 0.00 0.00 179.25 177.91 3mw9 h THR 215 N 0.51 1.40 -0.27 0.00 1.03 -1.78 -1.84 112.91 111.96 3mw9 h THR 215 Ca 0.64 -2.53 0.01 0.00 -0.01 0.00 0.00 66.41 64.53 3mw9 h THR 215 Cb 1.26 2.51 -0.02 0.00 -1.07 0.00 0.00 68.15 70.84 3mw9 h THR 215 CO -0.51 0.75 0.16 1.23 -0.01 0.00 0.00 175.52 177.14 3mw9 h GLY 216 N 1.19 0.37 0.66 2.99 0.00 -1.42 0.49 103.07 107.35 3mw9 h GLY 216 Ca -0.10 -0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.25 3mw9 h GLY 216 CO 0.18 0.11 0.53 -0.09 0.00 0.00 0.00 176.54 177.26 3mw9 h ARG 217 N 0.32 0.53 0.05 4.80 2.43 -0.61 -2.08 114.38 119.83 3mw9 h ARG 217 Ca 0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3mw9 h ARG 217 Cb -0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3mw9 h ARG 217 CO -0.05 0.35 -0.03 0.78 -1.51 0.00 0.00 179.97 179.51 3mw9 h GLY 218 N 0.55 -0.07 -0.69 2.80 0.00 -0.44 -2.32 103.07 102.89 3mw9 h GLY 218 Ca 0.39 0.03 0.28 0.00 0.00 0.00 0.00 47.33 48.03 3mw9 h GLY 218 CO -0.15 -0.03 0.25 -2.08 0.00 0.00 0.00 176.54 174.53 3mw9 h VAL 219 N -0.78 0.18 0.93 4.60 2.07 -0.66 0.36 116.25 122.95 3mw9 h VAL 219 Ca -0.01 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3mw9 h VAL 219 Cb 0.63 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3mw9 h VAL 219 CO 0.01 0.02 -0.49 0.15 0.02 0.00 0.00 177.57 177.28 3mw9 h PHE 220 N 0.13 -1.29 -0.46 1.57 3.57 -1.24 -0.88 116.94 118.34 3mw9 h PHE 220 Ca 0.63 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 62.21 3mw9 h PHE 220 Cb 1.36 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 3mw9 h PHE 220 CO -0.27 -0.77 0.32 0.45 -2.23 0.00 0.00 178.31 175.81 3mw9 h HIS 221 N -1.30 0.14 0.31 0.41 3.86 -0.62 0.71 115.15 118.67 3mw9 h HIS 221 Ca -0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3mw9 h HIS 221 Cb 1.02 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.44 3mw9 h HIS 221 CO -0.04 0.07 -0.15 0.78 0.86 0.00 0.00 177.93 179.44 3mw9 h GLY 222 N 0.13 -0.44 0.62 2.45 0.00 0.01 -2.02 103.07 103.82 3mw9 h GLY 222 Ca 0.22 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.74 3mw9 h GLY 222 CO -0.03 -0.16 -0.13 -2.22 0.00 0.00 0.00 176.54 174.00 3mw9 h ILE 223 N -0.73 0.67 -0.74 2.60 2.04 -0.71 -3.05 117.51 117.58 3mw9 h ILE 223 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.98 3mw9 h ILE 223 Cb 0.49 0.67 -0.13 0.00 -0.74 0.00 0.00 36.82 37.12 3mw9 h ILE 223 CO 0.07 0.00 0.03 -0.08 0.00 0.00 0.00 178.15 178.17 3mw9 h GLU 224 N -0.20 0.12 -0.01 2.37 4.81 -0.78 0.49 114.58 121.39 3mw9 h GLU 224 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3mw9 h GLU 224 Cb 0.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3mw9 h GLU 224 CO -0.16 0.08 0.01 -0.91 -0.73 0.00 0.00 179.01 177.29 3mw9 h ASN 225 N 0.12 0.00 0.01 1.04 2.35 -1.25 -2.92 115.58 114.93 3mw9 h ASN 225 Ca 0.41 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.74 3mw9 h ASN 225 Cb 0.71 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.01 3mw9 h ASN 225 CO -0.64 0.00 -2.45 0.49 -1.65 0.00 0.00 177.43 173.18 3mw9 n PHE 226 N -4.41 0.09 0.00 1.19 3.01 0.45 -4.17 117.46 113.62 3mw9 n PHE 226 Ca -0.03 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3mw9 n PHE 226 Cb 0.10 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.56 3mw9 n PHE 226 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 3mw9 n ILE 227 N -3.63 1.74 -1.21 4.37 0.13 0.14 -2.20 119.36 118.71 3mw9 n ILE 227 Ca -0.48 0.50 0.09 0.00 -1.10 0.00 0.00 62.75 61.75 3mw9 n ILE 227 Cb 0.95 -1.50 0.12 0.00 -0.84 0.00 0.00 39.64 38.38 3mw9 n ILE 227 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3mw9 n ASN 228 N -1.44 2.01 -3.97 9.51 4.05 -1.10 -1.76 115.26 122.57 3mw9 n ASN 228 Ca 0.00 -2.94 -0.31 0.00 0.45 0.00 0.00 54.58 51.78 3mw9 n ASN 228 Cb 0.06 -0.40 -0.15 0.00 1.23 0.00 0.00 39.78 40.52 3mw9 n ASN 228 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 3mw9 s GLU 229 N -2.47 1.72 0.21 1.20 2.56 -0.93 -4.91 118.70 116.08 3mw9 s GLU 229 Ca 0.28 -1.14 -0.11 0.00 0.00 0.00 0.00 54.97 53.99 3mw9 s GLU 229 Cb 0.24 -2.68 0.28 0.00 2.00 0.00 0.00 34.13 33.98 3mw9 s GLU 229 CO 0.02 -0.63 1.65 0.00 -0.56 0.00 0.00 175.26 175.74 3mw9 h ALA 230 N 7.89 0.56 -0.87 6.30 0.00 -1.92 -1.07 119.26 130.14 3mw9 h ALA 230 Ca -0.17 0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3mw9 h ALA 230 Cb 1.06 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3mw9 h ALA 230 CO 0.43 -0.41 0.41 0.66 0.00 0.00 0.00 179.25 180.35 3mw9 h SER 231 N 0.08 0.42 -0.15 0.00 4.64 -1.96 0.12 113.55 116.70 3mw9 h SER 231 Ca 0.32 0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.58 3mw9 h SER 231 Cb 0.52 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3mw9 h SER 231 CO -0.57 0.10 -0.64 1.88 -0.87 0.00 0.00 176.83 176.74 3mw9 h TYR 232 N 0.51 0.93 0.00 4.77 0.05 -1.54 -3.08 116.97 118.62 3mw9 h TYR 232 Ca 0.51 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3mw9 h TYR 232 Cb 0.86 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.46 3mw9 h TYR 232 CO -0.12 1.21 0.00 0.52 -1.05 0.00 0.00 178.16 178.72 3mw9 h MET 233 N 0.39 0.00 0.25 4.88 2.86 -0.80 -2.94 114.93 119.57 3mw9 h MET 233 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3mw9 h MET 233 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3mw9 h MET 233 CO 0.13 0.00 -0.12 0.77 1.06 0.00 0.00 176.91 178.75 3mw9 h SER 234 N 0.00 -0.29 -1.32 1.22 0.02 -0.74 -0.05 113.55 112.39 3mw9 h SER 234 Ca 0.00 0.01 0.38 0.00 -0.84 0.00 0.00 61.79 61.34 3mw9 h SER 234 Cb 0.39 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3mw9 h SER 234 CO 0.00 -0.20 1.11 0.40 -1.14 0.00 0.00 176.83 177.01 3mw9 h ILE 235 N -0.35 0.14 0.00 3.27 1.08 -1.53 0.97 117.51 121.08 3mw9 h ILE 235 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 3mw9 h ILE 235 Cb 0.26 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3mw9 h ILE 235 CO 0.06 0.00 -1.07 0.18 -0.69 0.00 0.00 178.15 176.63 3mw9 n LEU 236 N -3.76 0.72 -3.29 1.44 4.77 -1.16 -5.00 117.00 110.73 3mw9 n LEU 236 Ca 0.29 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3mw9 n LEU 236 Cb 1.52 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 42.61 3mw9 n LEU 236 CO 0.35 0.15 0.08 0.61 -1.33 0.00 0.00 177.39 177.26 3mw9 n GLY 237 N 1.44 -1.16 3.27 -0.72 0.00 0.33 -5.03 105.19 103.32 3mw9 n GLY 237 Ca 0.03 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 3mw9 n GLY 237 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mw9 s MET 238 N -4.33 1.21 -0.11 1.61 1.00 -0.41 -5.05 119.30 113.22 3mw9 s MET 238 Ca 0.35 -1.48 -0.11 0.00 0.00 0.00 0.00 55.69 54.45 3mw9 s MET 238 Cb -0.06 0.31 -0.05 0.00 0.00 0.00 0.00 34.83 35.03 3mw9 s MET 238 CO 0.76 -0.41 0.25 -0.08 0.00 0.00 0.00 175.02 175.54 3mw9 s THR 239 N -4.09 5.32 0.30 2.05 -1.32 -1.26 -4.54 115.64 112.10 3mw9 s THR 239 Ca 0.31 0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 60.98 3mw9 s THR 239 Cb 0.05 -3.55 -0.13 0.00 -1.51 0.00 0.00 72.50 67.35 3mw9 s THR 239 CO 0.08 0.52 1.12 -2.65 -2.21 0.00 0.00 174.62 171.49 3mw9 n PRO 240 N 2.57 1.65 0.00 7.08 -0.02 -1.26 -4.86 135.00 140.15 3mw9 n PRO 240 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3mw9 n PRO 240 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3mw9 n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mw9 n GLY 241 N 1.10 1.81 0.08 -1.23 0.00 -0.72 -4.79 105.19 101.43 3mw9 n GLY 241 Ca 0.08 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.24 3mw9 n GLY 241 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3mw9 h PHE 242 N 0.00 0.00 -0.74 1.61 0.04 -1.88 -3.42 116.94 112.55 3mw9 h PHE 242 Ca 0.00 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.97 3mw9 h PHE 242 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 3mw9 h PHE 242 CO 0.00 0.00 0.01 0.41 -0.60 0.00 0.00 178.31 178.13 3mw9 n GLY 243 N 1.29 -1.01 0.40 -1.45 0.00 -1.26 -1.06 105.19 102.10 3mw9 n GLY 243 Ca 0.02 0.73 0.05 0.00 0.00 0.00 0.00 46.02 46.82 3mw9 n GLY 243 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mw9 n ASP 244 N -5.03 1.91 -4.85 1.61 5.68 -1.26 -4.82 116.55 109.80 3mw9 n ASP 244 Ca 0.17 -1.47 -0.32 0.00 -0.50 0.00 0.00 54.79 52.68 3mw9 n ASP 244 Cb 0.57 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 3mw9 n ASP 244 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mw9 s LYS 245 N -0.83 3.94 -0.01 0.11 3.01 -0.23 -5.00 119.74 120.73 3mw9 s LYS 245 Ca 0.12 0.89 0.02 0.00 -1.01 0.00 0.00 55.97 56.00 3mw9 s LYS 245 Cb 0.08 -2.17 -0.00 0.00 -1.01 0.00 0.00 37.83 34.73 3mw9 s LYS 245 CO 0.12 -0.23 -0.08 -0.08 0.51 0.00 0.00 175.35 175.60 3mw9 s THR 246 N -2.57 0.63 0.24 2.17 -1.32 -1.26 -2.43 115.64 111.10 3mw9 s THR 246 Ca 0.58 -0.32 -0.05 0.00 -1.21 0.00 0.00 61.69 60.69 3mw9 s THR 246 Cb -0.10 -0.55 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 3mw9 s THR 246 CO 0.30 0.19 0.29 0.72 -2.21 0.00 0.00 174.62 173.91 3mw9 s PHE 247 N -0.03 0.92 0.19 9.09 -0.12 -0.72 -0.80 117.98 126.51 3mw9 s PHE 247 Ca 0.01 -1.17 0.01 0.00 -0.05 0.00 0.00 56.93 55.73 3mw9 s PHE 247 Cb -0.05 -0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 3mw9 s PHE 247 CO -0.00 -0.82 0.06 0.54 -0.05 0.00 0.00 175.22 174.95 3mw9 s VAL 248 N -3.97 0.45 -0.06 -2.49 0.11 -0.84 -0.52 120.40 113.08 3mw9 s VAL 248 Ca 0.33 -1.98 -0.02 0.00 -2.93 0.00 0.00 61.98 57.38 3mw9 s VAL 248 Cb 0.03 -2.31 0.04 0.00 -1.53 0.00 0.00 36.38 32.61 3mw9 s VAL 248 CO 0.13 -0.27 0.12 0.54 -3.33 0.00 0.00 175.10 172.28 3mw9 s VAL 249 N -3.82 -0.09 -0.42 2.04 0.11 -0.74 -2.34 120.40 115.13 3mw9 s VAL 249 Ca 0.30 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.35 3mw9 s VAL 249 Cb 0.07 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 3mw9 s VAL 249 CO 0.07 0.10 0.82 -1.58 -3.33 0.00 0.00 175.10 171.18 3mw9 s GLN 250 N 1.39 3.56 0.00 1.54 0.74 -0.50 -1.59 119.66 124.80 3mw9 s GLN 250 Ca -0.06 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.46 3mw9 s GLN 250 Cb -0.12 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.10 3mw9 s GLN 250 CO -0.05 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.05 3mw9 n GLY 251 N 4.80 1.54 1.81 2.59 0.00 0.12 0.38 105.19 116.43 3mw9 n GLY 251 Ca 0.04 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 3mw9 n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mw9 n PHE 252 N 2.99 2.32 -0.04 1.61 7.35 -1.25 -4.08 117.46 126.35 3mw9 n PHE 252 Ca 0.00 -2.20 0.00 0.00 -0.76 0.00 0.00 57.45 54.49 3mw9 n PHE 252 Cb 0.00 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.26 3mw9 n PHE 252 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3mw9 n GLY 253 N -0.86 0.71 0.22 7.13 0.00 -1.26 -4.39 105.19 106.74 3mw9 n GLY 253 Ca 0.44 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.99 3mw9 n GLY 253 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mw9 h ASN 254 N 0.00 0.00 0.15 1.61 -0.26 -1.94 -1.83 115.58 113.31 3mw9 h ASN 254 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.38 3mw9 h ASN 254 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 3mw9 h ASN 254 CO 0.00 0.21 -2.14 0.55 -1.06 0.00 0.00 177.43 174.98 3mw9 n VAL 255 N -4.23 1.58 0.27 2.81 3.14 -1.26 -3.68 118.33 116.96 3mw9 n VAL 255 Ca -0.02 -0.71 -0.16 0.00 -2.96 0.00 0.00 64.34 60.49 3mw9 n VAL 255 Cb 0.27 -1.22 -0.08 0.00 -1.06 0.00 0.00 33.84 31.75 3mw9 n VAL 255 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3mw9 h GLY 256 N 2.52 -0.69 0.14 7.55 0.00 -1.70 -1.69 103.07 109.21 3mw9 h GLY 256 Ca -0.46 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3mw9 h GLY 256 CO 0.03 -0.25 -0.50 -2.00 0.00 0.00 0.00 176.54 173.82 3mw9 h LEU 257 N -0.73 -1.50 -1.04 3.11 5.85 -1.53 -1.09 115.31 118.38 3mw9 h LEU 257 Ca -0.07 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3mw9 h LEU 257 Cb 0.54 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3mw9 h LEU 257 CO 0.11 -0.53 -0.36 0.45 -0.34 0.00 0.00 178.44 177.77 3mw9 h HIS 258 N -0.71 0.00 0.23 1.25 3.86 -1.63 -1.05 115.15 117.10 3mw9 h HIS 258 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3mw9 h HIS 258 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3mw9 h HIS 258 CO -0.44 0.36 -0.11 0.77 0.86 0.00 0.00 177.93 179.37 3mw9 h SER 259 N 0.00 -0.26 -0.33 2.45 0.02 -1.06 -2.79 113.55 111.59 3mw9 h SER 259 Ca -0.00 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3mw9 h SER 259 Cb 0.83 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.35 3mw9 h SER 259 CO 0.05 -0.10 -0.36 -0.03 -1.14 0.00 0.00 176.83 175.24 3mw9 h MET 260 N -0.40 -0.31 -0.71 3.45 -1.53 -0.31 -2.09 114.93 113.03 3mw9 h MET 260 Ca -0.03 0.02 0.13 0.00 -3.44 0.00 0.00 59.70 56.39 3mw9 h MET 260 Cb 0.30 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.33 3mw9 h MET 260 CO 0.05 -0.21 0.24 0.00 0.14 0.00 0.00 176.91 177.13 3mw9 h ARG 261 N -0.32 0.36 0.02 0.39 3.08 -1.11 0.40 114.38 117.20 3mw9 h ARG 261 Ca 0.14 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.94 3mw9 h ARG 261 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3mw9 h ARG 261 CO -0.50 0.24 -0.97 1.88 -1.07 0.00 0.00 179.97 179.55 3mw9 h TYR 262 N 0.37 0.55 0.32 3.04 -1.99 -1.20 -0.64 116.97 117.42 3mw9 h TYR 262 Ca 0.38 -0.31 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 3mw9 h TYR 262 Cb 0.59 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.26 3mw9 h TYR 262 CO -0.20 1.14 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.88 3mw9 h LEU 263 N 0.19 -0.36 -1.23 3.88 3.38 -1.09 -2.81 115.31 117.27 3mw9 h LEU 263 Ca -0.08 -0.15 0.19 0.00 0.09 0.00 0.00 57.88 57.92 3mw9 h LEU 263 Cb 1.62 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 42.37 3mw9 h LEU 263 CO 0.16 -0.03 0.61 -0.74 0.09 0.00 0.00 178.44 178.53 3mw9 h HIS 264 N -0.71 0.85 0.00 1.13 2.76 -0.91 0.53 115.15 118.80 3mw9 h HIS 264 Ca -0.04 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 3mw9 h HIS 264 Cb 0.49 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3mw9 h HIS 264 CO 0.01 0.23 -0.15 -0.09 -1.30 0.00 0.00 177.93 176.63 3mw9 h ARG 265 N 0.64 0.00 -0.45 5.26 2.43 -0.95 -2.85 114.38 118.47 3mw9 h ARG 265 Ca 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 3mw9 h ARG 265 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3mw9 h ARG 265 CO -0.27 0.15 0.00 1.19 -1.51 0.00 0.00 179.97 179.52 3mw9 n PHE 266 N -3.91 1.41 -0.09 2.20 3.01 0.18 -4.93 117.46 115.34 3mw9 n PHE 266 Ca -0.02 -0.75 0.00 0.00 1.01 0.00 0.00 57.45 57.69 3mw9 n PHE 266 Cb 0.24 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3mw9 n PHE 266 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mw9 n GLY 267 N 0.25 0.72 3.88 1.37 0.00 -1.00 -4.51 105.19 105.90 3mw9 n GLY 267 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3mw9 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw9 s ALA 268 N -2.10 2.41 -0.19 4.61 0.00 -1.09 -4.60 121.76 120.81 3mw9 s ALA 268 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 3mw9 s ALA 268 Cb 0.00 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3mw9 s ALA 268 CO 0.00 -1.89 0.06 0.21 0.00 0.00 0.00 175.76 174.14 3mw9 s LYS 269 N -5.54 0.37 -0.39 0.00 2.20 -1.02 -4.37 119.74 110.99 3mw9 s LYS 269 Ca 0.63 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.67 3mw9 s LYS 269 Cb -0.11 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.27 3mw9 s LYS 269 CO 0.50 -0.67 1.13 0.00 -0.36 0.00 0.00 175.35 175.95 3mw9 n ILE 271 N 6.37 0.01 -3.59 0.00 -5.35 0.32 -0.41 119.36 116.71 3mw9 n ILE 271 Ca 0.12 -0.03 -0.11 0.00 -0.27 0.00 0.00 62.75 62.47 3mw9 n ILE 271 Cb 0.48 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 38.99 3mw9 n ILE 271 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3mw9 s THR 272 N -3.02 0.00 -0.18 7.28 -4.23 -1.25 -0.28 115.64 113.96 3mw9 s THR 272 Ca 0.08 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 3mw9 s THR 272 Cb 0.16 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 73.09 3mw9 s THR 272 CO 0.81 0.00 0.19 -0.69 -0.54 0.00 0.00 174.62 174.39 3mw9 s VAL 273 N -0.70 -0.28 0.03 2.29 1.01 -0.90 -1.80 120.40 120.05 3mw9 s VAL 273 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3mw9 s VAL 273 Cb -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 3mw9 s VAL 273 CO 0.00 -0.18 0.41 -0.83 0.00 0.00 0.00 175.10 174.50 3mw9 s GLY 274 N 2.29 2.44 0.17 4.51 0.00 -0.62 -2.51 107.32 113.61 3mw9 s GLY 274 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3mw9 s GLY 274 CO -0.11 0.06 0.05 1.18 0.00 0.00 0.00 173.10 174.29 3mw9 n GLU 275 N 1.53 0.89 0.17 2.90 -0.58 -0.79 0.13 120.64 124.89 3mw9 n GLU 275 Ca -0.12 -1.42 0.01 0.00 -0.42 0.00 0.00 57.16 55.22 3mw9 n GLU 275 Cb 0.52 0.71 0.28 0.00 -0.57 0.00 0.00 31.44 32.39 3mw9 n GLU 275 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3mw9 h SER 276 N 0.64 0.00 0.32 1.62 4.64 -2.01 -3.23 113.55 115.53 3mw9 h SER 276 Ca -0.14 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.87 3mw9 h SER 276 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3mw9 h SER 276 CO 0.22 0.47 -1.94 -0.90 -0.87 0.00 0.00 176.83 173.81 3mw9 n ASP 277 N -3.94 0.61 0.00 4.97 5.68 -1.26 -5.07 116.55 117.54 3mw9 n ASP 277 Ca -0.02 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 3mw9 n ASP 277 Cb 0.50 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 3mw9 n ASP 277 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mw9 n GLY 278 N 1.63 -0.31 3.93 6.12 0.00 -1.22 -5.15 105.19 110.19 3mw9 n GLY 278 Ca -0.22 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 3mw9 n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mw9 s SER 279 N 0.00 5.23 0.04 1.61 0.01 -1.25 -1.89 113.70 117.45 3mw9 s SER 279 Ca 0.00 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 3mw9 s SER 279 Cb 0.00 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 3mw9 s SER 279 CO 0.00 -0.75 -0.01 0.27 0.41 0.00 0.00 173.24 173.16 3mw9 s ILE 280 N -2.46 0.17 -0.00 1.44 -4.36 -1.04 -2.23 121.20 112.71 3mw9 s ILE 280 Ca 0.51 -1.37 -0.08 0.00 -0.26 0.00 0.00 60.65 59.44 3mw9 s ILE 280 Cb -0.05 -0.96 0.00 0.00 1.25 0.00 0.00 42.46 42.70 3mw9 s ILE 280 CO 0.30 -0.76 0.16 0.86 0.24 0.00 0.00 174.94 175.74 3mw9 s TRP 281 N -2.82 0.00 -0.30 1.37 -0.00 -0.88 -2.12 118.94 114.19 3mw9 s TRP 281 Ca -0.03 -0.05 -0.14 0.00 -0.00 0.00 0.00 56.10 55.88 3mw9 s TRP 281 Cb -0.00 -0.02 0.18 0.00 -0.00 0.00 0.00 33.47 33.63 3mw9 s TRP 281 CO -0.06 -0.29 1.12 1.21 -0.00 0.00 0.00 176.95 178.94 3mw9 s ASN 282 N -1.28 -0.23 0.14 5.86 3.04 0.62 -1.55 114.94 121.53 3mw9 s ASN 282 Ca -0.14 0.04 0.16 0.00 0.04 0.00 0.00 52.86 52.97 3mw9 s ASN 282 Cb -0.07 1.15 0.72 0.00 -1.54 0.00 0.00 41.25 41.52 3mw9 s ASN 282 CO 0.02 -0.04 1.49 -2.65 -3.04 0.00 0.00 177.10 172.88 3mw9 n PRO 283 N 5.13 0.09 0.14 0.43 -0.02 -1.26 -0.99 135.00 138.52 3mw9 n PRO 283 Ca 0.07 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3mw9 n PRO 283 Cb 0.58 -1.71 0.05 0.00 -0.02 0.00 0.00 33.50 32.40 3mw9 n PRO 283 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3mw9 h ASP 284 N 0.00 0.00 -4.72 2.55 3.32 -1.93 -3.48 116.42 112.16 3mw9 h ASP 284 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mw9 h ASP 284 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3mw9 h ASP 284 CO 0.00 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 3mw9 n GLY 285 N 1.21 3.63 3.17 2.75 0.00 -0.16 -5.01 105.19 110.78 3mw9 n GLY 285 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3mw9 n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mw9 s ILE 286 N -2.51 1.66 -0.29 -0.61 1.01 0.45 -4.89 121.20 116.03 3mw9 s ILE 286 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 3mw9 s ILE 286 Cb 0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3mw9 s ILE 286 CO 0.00 0.47 0.35 -0.62 0.00 0.00 0.00 174.94 175.14 3mw9 s ASP 287 N 0.13 6.21 0.45 3.58 -1.08 -1.26 -4.51 116.67 120.20 3mw9 s ASP 287 Ca -0.08 0.13 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 3mw9 s ASP 287 Cb -0.14 -2.20 1.57 0.00 -1.46 0.00 0.00 42.92 40.70 3mw9 s ASP 287 CO 0.04 -0.21 1.94 -0.65 0.52 0.00 0.00 175.17 176.81 3mw9 h PRO 288 N 8.27 0.00 0.14 4.34 0.11 -1.97 -2.19 132.00 140.70 3mw9 h PRO 288 Ca -0.32 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.54 3mw9 h PRO 288 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3mw9 h PRO 288 CO 0.65 0.00 -1.21 -0.22 -0.21 0.00 0.00 178.00 177.01 3mw9 h LYS 289 N 0.00 0.30 -0.43 1.05 1.63 -1.99 -2.31 116.57 114.82 3mw9 h LYS 289 Ca 0.00 -0.52 -0.07 0.00 -0.85 0.00 0.00 60.65 59.21 3mw9 h LYS 289 Cb 0.12 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3mw9 h LYS 289 CO 0.00 1.25 -0.03 0.93 -3.45 0.00 0.00 179.45 178.15 3mw9 h GLU 290 N -0.27 0.71 -0.17 1.90 5.08 -1.91 -2.03 114.58 117.89 3mw9 h GLU 290 Ca -0.24 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 57.81 3mw9 h GLU 290 Cb 1.77 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.94 3mw9 h GLU 290 CO 0.12 0.74 -0.37 1.25 -1.00 0.00 0.00 179.01 179.75 3mw9 h LEU 291 N 0.66 0.62 0.65 1.33 6.46 -1.49 -1.54 115.31 122.00 3mw9 h LEU 291 Ca 0.13 -0.56 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 3mw9 h LEU 291 Cb 0.45 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3mw9 h LEU 291 CO 0.02 1.07 -0.44 -0.08 -0.62 0.00 0.00 178.44 178.39 3mw9 h GLU 292 N 0.21 -1.00 -0.81 1.25 4.81 -1.32 0.11 114.58 117.83 3mw9 h GLU 292 Ca 0.00 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.48 3mw9 h GLU 292 Cb 0.97 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 30.47 3mw9 h GLU 292 CO 0.08 -0.67 0.32 -0.44 -0.73 0.00 0.00 179.01 177.58 3mw9 h ASP 293 N -1.04 0.27 -0.54 1.04 3.45 -1.40 0.26 116.42 118.46 3mw9 h ASP 293 Ca -0.08 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.47 3mw9 h ASP 293 Cb 0.85 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.71 3mw9 h ASP 293 CO 0.06 0.05 0.18 0.15 -1.57 0.00 0.00 179.24 178.11 3mw9 h PHE 294 N 0.41 0.86 0.54 4.55 3.04 -1.00 -0.06 116.94 125.28 3mw9 h PHE 294 Ca 0.47 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 3mw9 h PHE 294 Cb 0.80 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.06 3mw9 h PHE 294 CO -0.17 0.73 -0.27 -0.22 -2.02 0.00 0.00 178.31 176.36 3mw9 h LYS 295 N 0.74 -0.71 -1.00 1.11 1.63 0.59 -0.30 116.57 118.64 3mw9 h LYS 295 Ca 0.17 0.05 0.23 0.00 -0.85 0.00 0.00 60.65 60.26 3mw9 h LYS 295 Cb 0.26 0.16 -0.09 0.00 -0.60 0.00 0.00 32.23 31.96 3mw9 h LYS 295 CO -0.01 -0.47 0.64 -0.07 -3.45 0.00 0.00 179.45 176.09 3mw9 h LEU 296 N -0.73 0.52 -0.05 5.20 3.38 -0.51 1.18 115.31 124.30 3mw9 h LEU 296 Ca -0.07 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3mw9 h LEU 296 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3mw9 h LEU 296 CO 0.11 0.14 -0.19 -0.61 0.09 0.00 0.00 178.44 177.99 3mw9 h GLN 297 N 0.48 0.21 -0.01 1.13 5.75 -0.58 -3.37 115.11 118.73 3mw9 h GLN 297 Ca 0.56 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 3mw9 h GLN 297 Cb 1.29 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.87 3mw9 h GLN 297 CO -0.29 0.80 -0.07 0.72 -2.65 0.00 0.00 178.83 177.34 3mw9 n HIS 298 N -4.57 0.00 -2.36 3.99 8.25 -0.16 -4.98 115.22 115.39 3mw9 n HIS 298 Ca -0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 3mw9 n HIS 298 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3mw9 n HIS 298 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mw9 n GLY 299 N 0.68 -0.38 3.53 -1.41 0.00 0.40 -4.94 105.19 103.07 3mw9 n GLY 299 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3mw9 n GLY 299 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mw9 s THR 300 N -2.99 0.00 -0.17 2.61 -1.32 -1.23 -5.04 115.64 107.49 3mw9 s THR 300 Ca 0.00 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 3mw9 s THR 300 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 3mw9 s THR 300 CO 0.00 0.00 0.84 2.30 -2.21 0.00 0.00 174.62 175.55 3mw9 n ILE 301 N -0.03 0.74 -1.69 5.08 -5.35 -1.26 -4.14 119.36 112.70 3mw9 n ILE 301 Ca -0.08 -0.60 -0.44 0.00 -0.27 0.00 0.00 62.75 61.36 3mw9 n ILE 301 Cb 0.61 -0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 3mw9 n ILE 301 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mw9 n LEU 302 N -2.68 3.57 0.00 7.28 4.77 -1.26 -2.05 117.00 126.63 3mw9 n LEU 302 Ca -0.05 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3mw9 n LEU 302 Cb 0.67 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3mw9 n LEU 302 CO 0.42 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3mw9 n GLY 303 N 3.71 0.98 3.66 -0.72 0.00 -1.26 -5.04 105.19 106.52 3mw9 n GLY 303 Ca 0.16 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3mw9 n GLY 303 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mw9 s PHE 304 N -2.00 1.61 0.38 1.61 5.36 -0.87 -4.86 117.98 119.21 3mw9 s PHE 304 Ca 0.00 -0.10 0.18 0.00 -0.96 0.00 0.00 56.93 56.06 3mw9 s PHE 304 Cb 0.00 -4.08 1.13 0.00 -0.34 0.00 0.00 43.02 39.72 3mw9 s PHE 304 CO 0.00 -4.66 1.71 -1.35 -1.46 0.00 0.00 175.22 169.46 3mw9 h PRO 305 N 10.34 0.34 -0.90 10.12 0.11 -1.96 -2.73 132.00 147.31 3mw9 h PRO 305 Ca -0.44 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 3mw9 h PRO 305 Cb 1.21 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 3mw9 h PRO 305 CO 0.95 0.23 0.56 1.63 -0.21 0.00 0.00 178.00 181.15 3mw9 n LYS 306 N -4.78 2.42 -3.54 1.05 4.76 -1.26 -4.94 118.16 111.87 3mw9 n LYS 306 Ca 0.29 -3.19 -0.07 0.00 -2.87 0.00 0.00 58.31 52.47 3mw9 n LYS 306 Cb 0.99 -2.18 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 3mw9 n LYS 306 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mw9 s ALA 307 N -3.49 -1.89 -0.18 7.82 0.00 -1.03 -4.88 121.76 118.10 3mw9 s ALA 307 Ca 0.58 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.60 3mw9 s ALA 307 Cb 0.48 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3mw9 s ALA 307 CO 0.05 -0.67 0.13 0.15 0.00 0.00 0.00 175.76 175.42 3mw9 s LYS 308 N -2.92 4.00 -0.73 0.00 3.01 -0.60 -4.66 119.74 117.84 3mw9 s LYS 308 Ca 0.06 -0.21 -0.25 0.00 -1.01 0.00 0.00 55.97 54.56 3mw9 s LYS 308 Cb -0.01 -3.35 -0.15 0.00 -1.01 0.00 0.00 37.83 33.30 3mw9 s LYS 308 CO -0.07 0.41 2.46 -0.89 0.51 0.00 0.00 175.35 177.77 3mw9 n ILE 309 N 3.16 -0.04 -2.45 2.17 2.08 -1.26 -2.07 119.36 120.95 3mw9 n ILE 309 Ca -0.17 -0.51 -0.41 0.00 0.56 0.00 0.00 62.75 62.22 3mw9 n ILE 309 Cb 0.53 -1.77 -0.04 0.00 -0.75 0.00 0.00 39.64 37.61 3mw9 n ILE 309 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 3mw9 s TYR 310 N 10.63 3.53 -0.13 1.39 6.14 -0.95 -4.95 117.35 133.01 3mw9 s TYR 310 Ca 1.10 1.55 -0.02 0.00 0.64 0.00 0.00 57.07 60.35 3mw9 s TYR 310 Cb -0.52 -3.34 -0.03 0.00 0.42 0.00 0.00 41.96 38.50 3mw9 s TYR 310 CO 0.32 -0.82 -0.07 -2.00 0.64 0.00 0.00 175.55 173.62 3mw9 s GLU 311 N -0.50 3.37 0.00 4.97 2.56 -1.26 -3.96 118.70 123.88 3mw9 s GLU 311 Ca 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 54.97 54.91 3mw9 s GLU 311 Cb -0.31 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.05 3mw9 s GLU 311 CO 0.37 0.35 0.00 0.41 -0.56 0.00 0.00 175.26 175.83 3mw9 n GLY 312 N 3.18 2.36 3.18 -1.50 0.00 -1.26 -5.00 105.19 106.15 3mw9 n GLY 312 Ca -0.18 -1.76 -0.58 0.00 0.00 0.00 0.00 46.02 43.50 3mw9 n GLY 312 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mw9 n SER 313 N 0.00 0.92 0.29 1.61 2.88 -1.26 -4.80 113.62 113.26 3mw9 n SER 313 Ca 0.00 0.89 0.18 0.00 -1.33 0.00 0.00 58.87 58.61 3mw9 n SER 313 Cb 0.00 -0.79 0.96 0.00 -0.75 0.00 0.00 64.21 63.63 3mw9 n SER 313 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3mw9 h ILE 314 N 5.17 0.20 0.00 2.46 6.09 -1.96 -1.02 117.51 128.44 3mw9 h ILE 314 Ca -0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3mw9 h ILE 314 Cb 1.24 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.39 3mw9 h ILE 314 CO 0.92 0.00 0.00 -0.07 -3.07 0.00 0.00 178.15 175.93 3mw9 h LEU 315 N 0.00 0.00 -0.27 2.19 3.38 -1.97 -3.10 115.31 115.55 3mw9 h LEU 315 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mw9 h LEU 315 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mw9 h LEU 315 CO -0.00 0.00 -0.74 -0.62 0.09 0.00 0.00 178.44 177.17 3mw9 n GLU 316 N -2.87 1.06 -1.36 1.13 1.02 -0.39 -4.70 120.64 114.52 3mw9 n GLU 316 Ca 0.03 -0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.48 3mw9 n GLU 316 Cb 0.39 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3mw9 n GLU 316 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3mw9 n VAL 317 N -1.05 1.17 -2.83 2.62 0.31 -1.17 -4.71 118.33 112.67 3mw9 n VAL 317 Ca 0.05 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 3mw9 n VAL 317 Cb 0.32 -0.16 -0.04 0.00 -0.91 0.00 0.00 33.84 33.06 3mw9 n VAL 317 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mw9 s ASP 318 N -0.98 7.01 -0.05 4.52 3.68 -1.26 -4.59 116.67 125.00 3mw9 s ASP 318 Ca 0.61 1.24 -0.31 0.00 2.13 0.00 0.00 52.55 56.22 3mw9 s ASP 318 Cb -0.67 -2.48 0.13 0.00 -1.45 0.00 0.00 42.92 38.45 3mw9 s ASP 318 CO 0.60 -0.46 1.35 0.00 0.13 0.00 0.00 175.17 176.79 3mw9 h ASP 320 N 2.00 -0.05 -3.67 0.00 3.32 -1.27 -3.32 116.42 113.42 3mw9 h ASP 320 Ca -0.31 -0.25 -0.69 0.00 0.02 0.00 0.00 57.03 55.80 3mw9 h ASP 320 Cb 1.20 0.01 -0.29 0.00 0.22 0.00 0.00 39.33 40.47 3mw9 h ASP 320 CO 0.29 0.56 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.09 3mw9 s ILE 321 N -1.99 3.55 -0.12 0.35 1.01 -0.47 -0.67 121.20 122.86 3mw9 s ILE 321 Ca -0.06 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 3mw9 s ILE 321 Cb -0.01 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3mw9 s ILE 321 CO 0.21 -0.08 0.47 -0.22 0.00 0.00 0.00 174.94 175.32 3mw9 s LEU 322 N 1.38 4.28 -0.57 2.97 2.96 -0.56 -1.99 118.68 127.15 3mw9 s LEU 322 Ca -0.02 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 3mw9 s LEU 322 Cb -0.19 -2.68 0.14 0.00 0.50 0.00 0.00 46.19 43.96 3mw9 s LEU 322 CO 0.01 0.01 0.32 -0.63 -1.32 0.00 0.00 176.35 174.74 3mw9 s ILE 323 N 0.61 2.58 -0.33 6.68 1.01 -0.99 -1.22 121.20 129.54 3mw9 s ILE 323 Ca 0.26 -3.54 -0.29 0.00 0.00 0.00 0.00 60.65 57.08 3mw9 s ILE 323 Cb -0.15 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3mw9 s ILE 323 CO 0.10 -0.87 1.55 -2.16 0.00 0.00 0.00 174.94 173.57 3mw9 s PRO 324 N -0.58 3.60 -0.31 2.79 0.04 -1.26 -1.41 135.00 137.88 3mw9 s PRO 324 Ca 0.19 1.28 0.14 0.00 0.04 0.00 0.00 61.00 62.65 3mw9 s PRO 324 Cb -0.20 -4.06 0.47 0.00 0.04 0.00 0.00 34.50 30.76 3mw9 s PRO 324 CO -0.05 -1.53 1.11 0.00 0.04 0.00 0.00 177.00 176.57 3mw9 n ALA 325 N 8.98 3.91 -2.11 8.56 0.00 0.16 -0.99 120.51 139.02 3mw9 n ALA 325 Ca 0.19 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3mw9 n ALA 325 Cb 0.47 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3mw9 n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mw9 n ALA 326 N -0.52 0.00 -2.90 0.00 0.00 -1.07 -4.47 120.51 111.54 3mw9 n ALA 326 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 3mw9 n ALA 326 Cb 0.84 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.33 3mw9 n ALA 326 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mw9 n SER 327 N 0.00 0.99 -4.89 0.00 7.64 -1.26 -4.65 113.62 111.45 3mw9 n SER 327 Ca 0.00 -1.74 -0.29 0.00 1.01 0.00 0.00 58.87 57.85 3mw9 n SER 327 Cb 0.00 -0.24 0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3mw9 n SER 327 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3mw9 s GLU 328 N -3.42 3.19 -1.20 1.43 8.01 -1.26 -4.51 118.70 120.94 3mw9 s GLU 328 Ca 0.31 0.42 -0.16 0.00 0.01 0.00 0.00 54.97 55.55 3mw9 s GLU 328 Cb -0.02 -2.14 -0.01 0.00 -4.31 0.00 0.00 34.13 27.65 3mw9 s GLU 328 CO 0.20 -0.71 0.71 1.63 0.01 0.00 0.00 175.26 177.10 3mw9 n LYS 329 N -2.74 -1.81 -0.05 1.61 5.02 0.35 -4.78 118.16 115.77 3mw9 n LYS 329 Ca 0.05 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.66 3mw9 n LYS 329 Cb 0.56 -4.22 -0.14 0.00 -0.02 0.00 0.00 35.03 31.21 3mw9 n LYS 329 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mw9 n GLN 330 N -4.26 0.67 -3.71 1.97 1.13 0.17 -4.34 117.38 109.02 3mw9 n GLN 330 Ca -0.15 0.20 -0.39 0.00 -1.94 0.00 0.00 57.00 54.73 3mw9 n GLN 330 Cb 0.61 -1.68 -0.12 0.00 0.11 0.00 0.00 30.24 29.16 3mw9 n GLN 330 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mw9 s LEU 331 N -6.18 4.37 0.48 1.08 1.02 -0.70 -4.97 118.68 113.78 3mw9 s LEU 331 Ca -0.13 -1.03 0.02 0.00 0.02 0.00 0.00 54.13 53.02 3mw9 s LEU 331 Cb 0.07 -1.92 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 3mw9 s LEU 331 CO 0.79 -0.32 0.03 0.42 0.02 0.00 0.00 176.35 177.28 3mw9 s THR 332 N 1.46 1.14 0.25 5.49 -4.23 -1.26 -1.51 115.64 116.98 3mw9 s THR 332 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3mw9 s THR 332 Cb -0.19 -2.28 0.22 0.00 1.34 0.00 0.00 72.50 71.60 3mw9 s THR 332 CO 0.04 0.00 1.80 0.50 -0.54 0.00 0.00 174.62 176.42 3mw9 h LYS 333 N 1.47 0.76 0.11 3.99 3.64 -1.88 -2.19 116.57 122.48 3mw9 h LYS 333 Ca -0.42 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3mw9 h LYS 333 Cb 1.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3mw9 h LYS 333 CO 0.72 0.50 -0.13 0.77 -2.27 0.00 0.00 179.45 179.04 3mw9 h SER 334 N 0.78 -0.36 0.39 4.20 0.02 -1.95 -3.26 113.55 113.37 3mw9 h SER 334 Ca 0.42 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3mw9 h SER 334 Cb 0.42 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3mw9 h SER 334 CO -0.27 -0.17 -0.17 -0.46 -1.14 0.00 0.00 176.83 174.63 3mw9 n ASN 335 N -3.10 0.57 -0.25 3.07 6.94 -1.21 -4.09 115.26 117.19 3mw9 n ASN 335 Ca -0.03 -0.54 -0.01 0.00 -0.02 0.00 0.00 54.58 53.98 3mw9 n ASN 335 Cb 0.12 -0.02 0.11 0.00 -2.36 0.00 0.00 39.78 37.62 3mw9 n ASN 335 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mw9 h ALA 336 N 3.53 0.97 0.00 -2.53 0.00 -1.43 -2.78 119.26 117.01 3mw9 h ALA 336 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mw9 h ALA 336 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mw9 h ALA 336 CO 0.00 0.12 0.14 -1.35 0.00 0.00 0.00 179.25 178.16 3mw9 h PRO 337 N 0.78 0.00 -0.83 0.00 0.11 -1.75 -3.11 132.00 127.20 3mw9 h PRO 337 Ca 0.31 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.96 3mw9 h PRO 337 Cb 0.16 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.85 3mw9 h PRO 337 CO -0.17 0.00 -0.91 2.89 -0.21 0.00 0.00 178.00 179.60 3mw9 n ARG 338 N -2.87 2.90 0.00 1.05 1.85 -1.05 -4.81 116.66 113.74 3mw9 n ARG 338 Ca -0.02 -3.98 -0.09 0.00 -1.00 0.00 0.00 57.85 52.75 3mw9 n ARG 338 Cb 0.19 -2.02 -0.14 0.00 -1.05 0.00 0.00 32.46 29.45 3mw9 n ARG 338 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 3mw9 h VAL 339 N 3.17 1.07 0.00 8.89 -1.51 -1.66 -3.43 116.25 122.79 3mw9 h VAL 339 Ca 0.19 -2.88 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 3mw9 h VAL 339 Cb 1.33 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 3mw9 h VAL 339 CO 0.61 0.63 0.00 2.29 -1.23 0.00 0.00 177.57 179.87 3mw9 n LYS 340 N -3.15 -1.34 -3.59 5.19 2.85 -1.26 -4.55 118.16 112.30 3mw9 n LYS 340 Ca -0.13 0.30 -0.30 0.00 -1.05 0.00 0.00 58.31 57.13 3mw9 n LYS 340 Cb 1.02 -4.50 -0.04 0.00 -0.65 0.00 0.00 35.03 30.86 3mw9 n LYS 340 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3mw9 s ALA 341 N -0.88 3.75 -0.12 0.58 0.00 -1.25 -4.28 121.76 119.55 3mw9 s ALA 341 Ca 0.00 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 51.53 3mw9 s ALA 341 Cb 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 3mw9 s ALA 341 CO 0.00 0.52 0.84 0.87 0.00 0.00 0.00 175.76 177.99 3mw9 h LYS 342 N 2.38 0.00 -3.65 0.00 1.79 -1.04 -3.46 116.57 112.59 3mw9 h LYS 342 Ca -0.47 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.55 3mw9 h LYS 342 Cb 1.18 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.44 3mw9 h LYS 342 CO 0.70 0.29 -0.77 0.42 -1.08 0.00 0.00 179.45 179.02 3mw9 s ILE 343 N -2.92 0.40 -0.35 1.86 1.01 -0.82 -1.23 121.20 119.14 3mw9 s ILE 343 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 3mw9 s ILE 343 Cb 0.09 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 3mw9 s ILE 343 CO 0.81 0.14 0.23 -0.63 0.00 0.00 0.00 174.94 175.49 3mw9 s ILE 344 N 1.95 5.06 -0.66 2.92 1.01 0.60 -1.50 121.20 130.59 3mw9 s ILE 344 Ca 0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3mw9 s ILE 344 Cb -0.13 -3.66 0.17 0.00 0.01 0.00 0.00 42.46 38.84 3mw9 s ILE 344 CO -0.06 -0.08 0.59 0.00 0.00 0.00 0.00 174.94 175.39 3mw9 s ALA 345 N 1.67 3.79 -0.35 9.38 0.00 -0.36 -0.17 121.76 135.73 3mw9 s ALA 345 Ca 0.05 -2.93 -0.27 0.00 0.00 0.00 0.00 51.96 48.81 3mw9 s ALA 345 Cb -0.18 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3mw9 s ALA 345 CO 0.09 -2.12 2.20 -1.21 0.00 0.00 0.00 175.76 174.72 3mw9 s GLU 346 N 0.83 2.79 -0.16 0.00 2.02 -0.54 -3.98 118.70 119.66 3mw9 s GLU 346 Ca 0.11 1.65 -0.14 0.00 0.02 0.00 0.00 54.97 56.60 3mw9 s GLU 346 Cb -0.20 -4.42 -0.23 0.00 0.10 0.00 0.00 34.13 29.38 3mw9 s GLU 346 CO -0.03 -2.50 0.29 0.41 0.02 0.00 0.00 175.26 173.45 3mw9 n GLY 347 N 5.79 -0.70 3.61 -1.39 0.00 -1.06 -4.06 105.19 107.39 3mw9 n GLY 347 Ca 0.30 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3mw9 n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw9 s ALA 348 N -2.46 0.52 -0.27 4.61 0.00 -0.16 -4.65 121.76 119.34 3mw9 s ALA 348 Ca -0.26 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 3mw9 s ALA 348 Cb 0.06 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3mw9 s ALA 348 CO 0.68 -3.15 0.56 -0.80 0.00 0.00 0.00 175.76 173.04 3mw9 s ASN 349 N -3.06 6.47 -1.17 0.00 0.01 -1.26 -4.44 114.94 111.49 3mw9 s ASN 349 Ca 0.66 0.52 -0.07 0.00 -0.71 0.00 0.00 52.86 53.26 3mw9 s ASN 349 Cb -0.21 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 3mw9 s ASN 349 CO 0.60 -0.34 0.83 0.61 -1.51 0.00 0.00 177.10 177.29 3mw9 n GLY 350 N 4.37 -0.77 0.08 0.66 0.00 -1.26 -4.13 105.19 104.14 3mw9 n GLY 350 Ca -0.03 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 3mw9 n GLY 350 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mw9 h PRO 351 N -1.62 0.01 -5.66 1.61 0.13 -1.80 0.10 132.00 124.78 3mw9 h PRO 351 Ca -0.62 -0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 3mw9 h PRO 351 Cb 1.34 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.25 3mw9 h PRO 351 CO 0.49 0.91 -0.70 0.95 -0.23 0.00 0.00 178.00 179.42 3mw9 s THR 352 N -2.93 3.58 0.78 1.56 -4.23 -1.26 0.44 115.64 113.58 3mw9 s THR 352 Ca 0.00 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 3mw9 s THR 352 Cb 0.11 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.49 3mw9 s THR 352 CO 0.81 0.54 1.11 0.42 -0.54 0.00 0.00 174.62 176.96 3mw9 s THR 353 N -0.12 3.03 0.44 3.99 -4.23 -0.57 -4.89 115.64 113.29 3mw9 s THR 353 Ca 0.01 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 60.98 3mw9 s THR 353 Cb -0.13 -3.18 0.20 0.00 1.34 0.00 0.00 72.50 70.72 3mw9 s THR 353 CO 0.03 -0.44 2.00 1.55 -0.54 0.00 0.00 174.62 177.22 3mw9 h PRO 354 N -0.98 0.12 -0.15 3.99 0.13 -1.93 -1.98 132.00 131.22 3mw9 h PRO 354 Ca -0.47 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3mw9 h PRO 354 Cb 1.27 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3mw9 h PRO 354 CO 0.62 0.23 -0.03 1.49 -0.23 0.00 0.00 178.00 180.08 3mw9 h GLU 355 N 0.12 0.28 0.00 0.86 4.57 -1.94 -2.68 114.58 115.79 3mw9 h GLU 355 Ca 0.03 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3mw9 h GLU 355 Cb 0.26 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3mw9 h GLU 355 CO 0.01 0.56 -0.02 0.00 -1.18 0.00 0.00 179.01 178.39 3mw9 h ALA 356 N 0.71 1.72 -0.32 2.92 0.00 -1.72 -2.14 119.26 120.44 3mw9 h ALA 356 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mw9 h ALA 356 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3mw9 h ALA 356 CO 0.01 0.02 0.09 -0.44 0.00 0.00 0.00 179.25 178.94 3mw9 h ASP 357 N 0.00 0.47 -0.23 0.00 3.32 -1.03 -2.27 116.42 116.67 3mw9 h ASP 357 Ca -0.00 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.89 3mw9 h ASP 357 Cb 0.03 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3mw9 h ASP 357 CO 0.00 0.56 -0.08 0.11 -1.72 0.00 0.00 179.24 178.11 3mw9 h LYS 358 N 0.36 -0.04 -0.97 3.56 1.57 -1.18 0.12 116.57 119.98 3mw9 h LYS 358 Ca 0.10 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3mw9 h LYS 358 Cb 0.26 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 3mw9 h LYS 358 CO -0.00 -0.02 0.64 0.82 -0.57 0.00 0.00 179.45 180.31 3mw9 h ILE 359 N -0.04 1.16 -0.31 1.86 1.08 -1.46 -1.61 117.51 118.20 3mw9 h ILE 359 Ca 0.12 -0.42 -0.13 0.00 -0.39 0.00 0.00 64.86 64.04 3mw9 h ILE 359 Cb 0.22 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.80 3mw9 h ILE 359 CO -0.26 0.22 -0.32 -0.26 -0.69 0.00 0.00 178.15 176.84 3mw9 h PHE 360 N 1.22 0.92 -0.26 1.37 0.05 -0.78 -0.20 116.94 119.25 3mw9 h PHE 360 Ca 0.39 -0.28 0.04 0.00 3.82 0.00 0.00 57.97 61.94 3mw9 h PHE 360 Cb 0.03 -0.19 -0.04 0.00 2.00 0.00 0.00 35.95 37.75 3mw9 h PHE 360 CO -0.00 1.05 0.01 -0.07 -0.18 0.00 0.00 178.31 179.12 3mw9 h LEU 361 N 0.53 -0.08 0.44 1.54 3.38 -0.48 0.07 115.31 120.71 3mw9 h LEU 361 Ca 0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3mw9 h LEU 361 Cb 0.90 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3mw9 h LEU 361 CO 0.08 -0.01 -0.34 -0.33 0.09 0.00 0.00 178.44 177.93 3mw9 h GLU 362 N 0.09 -0.74 -0.22 1.13 5.08 -1.22 -2.39 114.58 116.31 3mw9 h GLU 362 Ca 0.12 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mw9 h GLU 362 Cb 0.15 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3mw9 h GLU 362 CO -0.20 -0.50 0.00 0.54 -1.00 0.00 0.00 179.01 177.86 3mw9 n ARG 363 N -5.46 0.41 -4.19 2.33 1.74 -0.10 -4.79 116.66 106.60 3mw9 n ARG 363 Ca -0.11 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.64 3mw9 n ARG 363 Cb 0.36 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.65 3mw9 n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mw9 n ASN 364 N -0.07 -1.95 -4.63 0.55 5.03 -0.90 -4.96 115.26 108.33 3mw9 n ASN 364 Ca 0.00 -1.06 -0.37 0.00 0.87 0.00 0.00 54.58 54.03 3mw9 n ASN 364 Cb 0.05 -2.62 -0.10 0.00 -1.02 0.00 0.00 39.78 36.10 3mw9 n ASN 364 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3mw9 s ILE 365 N -3.58 5.21 -0.50 2.41 1.01 -0.04 -4.78 121.20 120.94 3mw9 s ILE 365 Ca 0.48 0.13 -0.25 0.00 0.00 0.00 0.00 60.65 61.01 3mw9 s ILE 365 Cb -0.26 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.81 3mw9 s ILE 365 CO 0.93 0.34 0.92 -0.32 0.00 0.00 0.00 174.94 176.81 3mw9 s MET 366 N 1.16 3.44 -0.31 2.79 -2.45 -0.37 -4.43 119.30 119.14 3mw9 s MET 366 Ca 0.07 -0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.25 3mw9 s MET 366 Cb -0.14 -3.98 -0.00 0.00 1.25 0.00 0.00 34.83 31.96 3mw9 s MET 366 CO 0.05 -1.31 0.73 0.08 1.05 0.00 0.00 175.02 175.62 3mw9 s VAL 367 N 3.78 4.84 -0.33 10.11 1.01 -1.26 -0.29 120.40 138.26 3mw9 s VAL 367 Ca 0.34 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 63.19 3mw9 s VAL 367 Cb -0.11 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3mw9 s VAL 367 CO 0.23 -0.22 0.46 -0.63 0.00 0.00 0.00 175.10 174.94 3mw9 s ILE 368 N 2.84 5.07 0.30 2.22 1.01 0.75 -4.50 121.20 128.89 3mw9 s ILE 368 Ca 0.30 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 3mw9 s ILE 368 Cb -0.14 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3mw9 s ILE 368 CO 0.12 -0.11 0.81 -2.16 0.00 0.00 0.00 174.94 173.61 3mw9 s PRO 369 N 2.27 4.27 0.28 2.79 0.04 -1.26 -1.47 135.00 141.92 3mw9 s PRO 369 Ca 0.17 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3mw9 s PRO 369 Cb -0.16 -2.65 0.66 0.00 0.04 0.00 0.00 34.50 32.39 3mw9 s PRO 369 CO 0.12 0.25 1.64 0.38 0.04 0.00 0.00 177.00 179.43 3mw9 h ASP 370 N 2.85 -0.07 -1.37 6.66 3.04 -1.84 0.22 116.42 125.91 3mw9 h ASP 370 Ca -0.48 0.20 0.43 0.00 -3.24 0.00 0.00 57.03 53.94 3mw9 h ASP 370 Cb 1.19 0.28 -0.11 0.00 -1.04 0.00 0.00 39.33 39.65 3mw9 h ASP 370 CO 0.65 -0.16 0.92 -0.07 -2.04 0.00 0.00 179.24 178.53 3mw9 h LEU 371 N 0.19 0.21 0.00 0.15 3.38 -1.93 -2.99 115.31 114.32 3mw9 h LEU 371 Ca 0.53 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 58.42 3mw9 h LEU 371 Cb 1.04 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3mw9 h LEU 371 CO -0.66 -0.11 -1.61 0.00 0.09 0.00 0.00 178.44 176.15 3mw9 n TYR 372 N -4.52 0.00 -0.04 1.13 9.36 0.14 -4.50 117.16 118.72 3mw9 n TYR 372 Ca 0.36 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.46 3mw9 n TYR 372 Cb 1.44 -0.40 -0.06 0.00 -0.63 0.00 0.00 39.34 39.69 3mw9 n TYR 372 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3mw9 h LEU 373 N -0.27 0.22 -2.70 2.98 6.46 -0.62 -3.06 115.31 118.31 3mw9 h LEU 373 Ca -0.27 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.14 3mw9 h LEU 373 Cb 1.28 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 3mw9 h LEU 373 CO -0.13 0.42 0.13 -0.46 -0.62 0.00 0.00 178.44 177.77 3mw9 n ASN 374 N -4.82 3.64 -0.68 1.25 0.23 -1.14 -3.55 115.26 110.21 3mw9 n ASN 374 Ca -0.05 -2.67 0.08 0.00 -0.53 0.00 0.00 54.58 51.41 3mw9 n ASN 374 Cb 0.17 -0.64 0.23 0.00 -2.08 0.00 0.00 39.78 37.47 3mw9 n ASN 374 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mw9 n ALA 375 N 0.09 2.46 0.22 -2.53 0.00 -1.16 -3.54 120.51 116.06 3mw9 n ALA 375 Ca 0.22 -0.64 0.09 0.00 0.00 0.00 0.00 53.44 53.11 3mw9 n ALA 375 Cb 0.93 -1.00 0.47 0.00 0.00 0.00 0.00 19.45 19.84 3mw9 n ALA 375 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mw9 h GLY 376 N 5.10 0.00 0.09 0.00 0.00 -1.82 -2.52 103.07 103.93 3mw9 h GLY 376 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mw9 h GLY 376 CO 0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.15 3mw9 h GLY 377 N 1.73 -0.51 0.75 4.60 0.00 -1.76 -2.16 103.07 105.72 3mw9 h GLY 377 Ca -0.00 0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.65 3mw9 h GLY 377 CO 0.03 -0.19 0.54 -0.39 0.00 0.00 0.00 176.54 176.54 3mw9 h VAL 378 N -0.14 0.93 -0.36 4.60 -1.51 -1.81 0.96 116.25 118.91 3mw9 h VAL 378 Ca -0.01 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 65.14 3mw9 h VAL 378 Cb 0.12 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.37 3mw9 h VAL 378 CO 0.01 0.14 -0.02 0.74 -1.23 0.00 0.00 177.57 177.20 3mw9 h THR 379 N 0.76 1.21 0.11 7.19 2.02 -1.44 0.90 112.91 123.67 3mw9 h THR 379 Ca 0.39 -0.87 -0.34 0.00 0.77 0.00 0.00 66.41 66.36 3mw9 h THR 379 Cb 0.49 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3mw9 h THR 379 CO -0.16 0.30 -1.83 0.58 0.37 0.00 0.00 175.52 174.78 3mw9 h VAL 380 N 0.54 0.80 -0.69 3.16 2.07 -0.57 -2.33 116.25 119.24 3mw9 h VAL 380 Ca 0.11 -2.51 0.14 0.00 0.82 0.00 0.00 66.70 65.26 3mw9 h VAL 380 Cb 0.38 2.57 -0.13 0.00 -1.52 0.00 0.00 31.29 32.59 3mw9 h VAL 380 CO 0.02 0.80 -0.18 0.28 0.02 0.00 0.00 177.57 178.51 3mw9 h SER 381 N 0.06 -0.67 -0.56 0.57 0.02 -0.66 0.16 113.55 112.47 3mw9 h SER 381 Ca -0.36 0.21 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3mw9 h SER 381 Cb 2.04 0.44 -0.08 0.00 0.14 0.00 0.00 62.40 64.94 3mw9 h SER 381 CO 0.11 -0.23 0.12 0.22 -1.14 0.00 0.00 176.83 175.91 3mw9 h TYR 382 N -0.01 0.19 -0.38 3.45 3.20 0.88 -0.20 116.97 124.10 3mw9 h TYR 382 Ca 0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.23 3mw9 h TYR 382 Cb 0.51 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3mw9 h TYR 382 CO -0.56 -0.02 0.24 0.74 -1.64 0.00 0.00 178.16 176.92 3mw9 h PHE 383 N 0.25 0.49 -0.46 -3.82 0.04 -0.55 -1.32 116.94 111.58 3mw9 h PHE 383 Ca 0.29 0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.16 3mw9 h PHE 383 Cb 0.41 -0.16 -0.09 0.00 2.20 0.00 0.00 35.95 38.31 3mw9 h PHE 383 CO -0.24 0.33 -0.12 1.49 -0.60 0.00 0.00 178.31 179.17 3mw9 h GLU 384 N 0.51 -0.00 -0.19 1.51 4.81 -0.15 0.27 114.58 121.34 3mw9 h GLU 384 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3mw9 h GLU 384 Cb -0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3mw9 h GLU 384 CO -0.03 -0.00 0.08 2.35 -0.73 0.00 0.00 179.01 180.68 3mw9 h TRP 385 N -0.00 0.29 -0.48 0.92 7.01 -0.73 0.28 115.95 123.23 3mw9 h TRP 385 Ca 0.22 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.26 3mw9 h TRP 385 Cb 0.34 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 3mw9 h TRP 385 CO -0.40 0.32 0.18 -0.07 -2.79 0.00 0.00 178.44 175.69 3mw9 h LEU 386 N 0.17 0.20 -0.44 0.65 4.07 -1.02 0.22 115.31 119.16 3mw9 h LEU 386 Ca 0.06 0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.17 3mw9 h LEU 386 Cb 0.15 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.84 3mw9 h LEU 386 CO -0.01 0.14 -0.09 -1.13 -1.08 0.00 0.00 178.44 176.28 3mw9 h ASN 387 N 0.36 -0.37 -0.69 -0.43 -0.00 0.94 0.88 115.58 116.27 3mw9 h ASN 387 Ca 0.23 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 3mw9 h ASN 387 Cb 0.22 0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.77 3mw9 h ASN 387 CO -0.22 -0.13 0.44 0.78 -0.00 0.00 0.00 177.43 178.29 3mw9 h ASN 388 N 0.02 0.81 -0.22 1.15 2.35 0.44 -2.31 115.58 117.82 3mw9 h ASN 388 Ca 0.21 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3mw9 h ASN 388 Cb 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3mw9 h ASN 388 CO -0.44 0.61 0.08 -0.07 -1.65 0.00 0.00 177.43 175.97 3mw9 h LEU 389 N 0.94 0.37 0.00 1.61 3.38 0.35 -3.16 115.31 118.81 3mw9 h LEU 389 Ca 0.25 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 3mw9 h LEU 389 Cb -0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3mw9 h LEU 389 CO -0.05 0.37 -0.78 0.78 0.09 0.00 0.00 178.44 178.86 3mw9 h ASN 390 N 0.41 0.00 -0.44 -0.43 2.35 -0.40 -3.48 115.58 113.59 3mw9 h ASN 390 Ca 0.10 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.66 3mw9 h ASN 390 Cb 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 3mw9 h ASN 390 CO -0.01 0.75 -0.17 1.41 -1.65 0.00 0.00 177.43 177.76 3mw9 n HIS 391 N -3.28 0.00 -4.08 1.19 8.25 -0.91 -5.00 115.22 111.39 3mw9 n HIS 391 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3mw9 n HIS 391 Cb 0.84 -2.01 -0.11 0.00 1.12 0.00 0.00 29.99 29.84 3mw9 n HIS 391 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3mw9 s VAL 392 N -2.19 0.42 0.17 1.59 -7.23 -1.26 -5.13 120.40 106.76 3mw9 s VAL 392 Ca 0.00 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 3mw9 s VAL 392 Cb 0.00 -1.05 -0.07 0.00 0.56 0.00 0.00 36.38 35.81 3mw9 s VAL 392 CO 0.00 -0.69 1.00 -0.94 -0.31 0.00 0.00 175.10 174.16 3mw9 s SER 393 N -2.28 7.46 0.06 4.85 1.04 -1.26 -4.96 113.70 118.61 3mw9 s SER 393 Ca -0.01 1.94 -0.36 0.00 0.48 0.00 0.00 55.95 58.00 3mw9 s SER 393 Cb -0.01 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.35 3mw9 s SER 393 CO -0.04 -0.05 1.46 0.00 0.98 0.00 0.00 173.24 175.59 3mw9 n TYR 394 N 2.24 1.78 0.00 5.02 9.36 -1.26 -2.23 117.16 132.06 3mw9 n TYR 394 Ca 0.01 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.75 3mw9 n TYR 394 Cb 0.48 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 3mw9 n TYR 394 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3mw9 n GLY 395 N 2.97 3.22 0.37 2.98 0.00 -1.26 -4.00 105.19 109.47 3mw9 n GLY 395 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 3mw9 n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mw9 h ARG 396 N 1.81 0.09 -0.00 1.61 2.43 -1.79 0.24 114.38 118.77 3mw9 h ARG 396 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3mw9 h ARG 396 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3mw9 h ARG 396 CO 0.00 0.06 -0.07 1.28 -1.51 0.00 0.00 179.97 179.73 3mw9 n LEU 397 N -4.41 0.09 0.00 3.80 4.77 -1.26 -4.29 117.00 115.70 3mw9 n LEU 397 Ca 0.09 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3mw9 n LEU 397 Cb 0.52 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3mw9 n LEU 397 CO 0.36 0.02 0.06 0.35 -1.33 0.00 0.00 177.39 176.85 3mw9 n THR 398 N -1.42 0.00 -0.12 -5.08 -2.24 0.65 -4.80 114.28 101.27 3mw9 n THR 398 Ca 0.09 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 3mw9 n THR 398 Cb 0.32 1.50 0.03 0.00 -2.10 0.00 0.00 70.33 70.08 3mw9 n THR 398 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3mw9 h PHE 399 N 0.00 0.01 0.21 4.78 0.05 -1.21 -0.78 116.94 120.00 3mw9 h PHE 399 Ca 0.00 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 3mw9 h PHE 399 Cb 0.25 0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.26 3mw9 h PHE 399 CO 0.00 -0.06 -0.10 -0.22 -0.18 0.00 0.00 178.31 177.75 3mw9 h LYS 400 N 0.13 -0.27 -0.67 1.51 3.64 -1.87 -1.95 116.57 117.08 3mw9 h LYS 400 Ca 0.20 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 3mw9 h LYS 400 Cb 0.28 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 3mw9 h LYS 400 CO -0.32 0.10 0.34 -0.92 -2.27 0.00 0.00 179.45 176.39 3mw9 h TYR 401 N -0.71 0.62 -0.48 1.91 3.20 -1.85 -1.62 116.97 118.04 3mw9 h TYR 401 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3mw9 h TYR 401 Cb 0.49 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3mw9 h TYR 401 CO 0.05 0.25 0.10 0.93 -1.64 0.00 0.00 178.16 177.85 3mw9 h GLU 402 N 0.61 0.78 0.21 1.82 4.39 -1.18 -0.28 114.58 120.94 3mw9 h GLU 402 Ca 0.32 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.83 3mw9 h GLU 402 Cb 0.29 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3mw9 h GLU 402 CO -0.23 0.77 -0.29 -0.09 -1.16 0.00 0.00 179.01 178.01 3mw9 h ARG 403 N 0.66 -0.54 0.04 2.33 2.43 -1.00 -1.61 114.38 116.69 3mw9 h ARG 403 Ca 0.15 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3mw9 h ARG 403 Cb 0.35 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3mw9 h ARG 403 CO 0.00 -0.36 -0.02 -0.44 -1.51 0.00 0.00 179.97 177.65 3mw9 h ASP 404 N -0.56 -0.04 -0.45 -3.80 5.19 -1.21 -2.51 116.42 113.04 3mw9 h ASP 404 Ca 0.01 -0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.49 3mw9 h ASP 404 Cb 0.54 0.01 -0.08 0.00 0.18 0.00 0.00 39.33 39.99 3mw9 h ASP 404 CO -0.11 -0.02 -0.02 -1.28 -3.12 0.00 0.00 179.24 174.69 3mw9 h SER 405 N -0.06 -0.24 0.15 6.45 0.87 -1.03 -1.15 113.55 118.54 3mw9 h SER 405 Ca -0.01 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3mw9 h SER 405 Cb 0.05 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3mw9 h SER 405 CO 0.01 -0.08 -0.10 0.78 -0.53 0.00 0.00 176.83 176.91 3mw9 h ASN 406 N 0.09 0.00 0.12 6.23 -0.26 -1.01 -1.78 115.58 118.96 3mw9 h ASN 406 Ca 0.22 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.67 3mw9 h ASN 406 Cb 0.33 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.62 3mw9 h ASN 406 CO -0.39 0.10 -1.20 1.88 -1.06 0.00 0.00 177.43 176.75 3mw9 h TYR 407 N 0.00 0.99 0.00 1.19 0.99 -0.90 -2.62 116.97 116.62 3mw9 h TYR 407 Ca -0.00 -0.62 0.00 0.00 2.00 0.00 0.00 58.73 60.11 3mw9 h TYR 407 Cb 0.20 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.85 3mw9 h TYR 407 CO 0.00 1.46 0.00 0.45 -0.00 0.00 0.00 178.16 180.07 3mw9 h HIS 408 N 0.23 0.00 0.02 4.88 3.86 -0.87 -0.96 115.15 122.31 3mw9 h HIS 408 Ca -0.18 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 3mw9 h HIS 408 Cb 1.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.35 3mw9 h HIS 408 CO 0.12 0.00 -0.01 1.25 0.86 0.00 0.00 177.93 180.15 3mw9 h LEU 409 N 0.00 -0.02 -0.93 2.43 6.46 -1.25 -2.05 115.31 119.96 3mw9 h LEU 409 Ca 0.00 -0.52 0.18 0.00 -0.12 0.00 0.00 57.88 57.42 3mw9 h LEU 409 Cb 0.33 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 3mw9 h LEU 409 CO 0.00 0.72 0.51 -0.07 -0.62 0.00 0.00 178.44 178.98 3mw9 h LEU 410 N -0.98 0.60 -1.51 2.25 4.07 -1.37 0.07 115.31 118.43 3mw9 h LEU 410 Ca -0.00 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3mw9 h LEU 410 Cb 0.55 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 3mw9 h LEU 410 CO 0.00 0.19 -0.07 -0.03 -1.08 0.00 0.00 178.44 177.46 3mw9 h MET 411 N 0.64 0.00 -0.31 1.13 4.05 -1.16 -2.14 114.93 117.13 3mw9 h MET 411 Ca 0.54 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.79 3mw9 h MET 411 Cb 0.86 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3mw9 h MET 411 CO -0.41 0.07 -0.48 0.77 0.23 0.00 0.00 176.91 177.10 3mw9 h SER 412 N 0.00 0.93 0.49 1.39 0.02 -0.22 -1.29 113.55 114.87 3mw9 h SER 412 Ca -0.00 -0.46 -0.24 0.00 -0.84 0.00 0.00 61.79 60.25 3mw9 h SER 412 Cb 0.52 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3mw9 h SER 412 CO 0.01 1.25 -1.05 -0.37 -1.14 0.00 0.00 176.83 175.52 3mw9 h VAL 413 N 0.67 1.45 0.02 2.27 -1.51 -1.35 -2.43 116.25 115.36 3mw9 h VAL 413 Ca 0.03 -2.72 0.02 0.00 -1.23 0.00 0.00 66.70 62.80 3mw9 h VAL 413 Cb 1.07 2.64 -0.02 0.00 -2.13 0.00 0.00 31.29 32.84 3mw9 h VAL 413 CO 0.11 0.80 -0.12 -0.61 -1.23 0.00 0.00 177.57 176.52 3mw9 h GLN 414 N 0.15 -0.21 0.00 5.19 4.15 -1.34 -0.67 115.11 122.38 3mw9 h GLN 414 Ca -0.10 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 3mw9 h GLN 414 Cb 1.72 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 3mw9 h GLN 414 CO 0.18 -0.14 -0.40 0.93 -1.93 0.00 0.00 178.83 177.47 3mw9 h GLU 415 N -0.21 0.00 -0.16 1.69 5.08 -1.29 -1.56 114.58 118.13 3mw9 h GLU 415 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3mw9 h GLU 415 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3mw9 h GLU 415 CO -0.11 0.40 -0.55 0.77 -1.00 0.00 0.00 179.01 178.52 3mw9 h SER 416 N 0.00 0.55 -0.07 1.42 0.02 -1.20 -2.12 113.55 112.15 3mw9 h SER 416 Ca -0.00 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3mw9 h SER 416 Cb 0.73 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3mw9 h SER 416 CO 0.05 0.99 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.60 3mw9 h LEU 417 N 0.38 0.18 -1.32 5.07 3.38 -0.74 -2.81 115.31 119.44 3mw9 h LEU 417 Ca 0.01 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3mw9 h LEU 417 Cb 1.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3mw9 h LEU 417 CO 0.10 0.61 0.26 -0.33 0.09 0.00 0.00 178.44 179.17 3mw9 h GLU 418 N -0.25 0.73 -0.52 1.13 5.08 -1.32 0.40 114.58 119.83 3mw9 h GLU 418 Ca 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3mw9 h GLU 418 Cb 0.55 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3mw9 h GLU 418 CO 0.02 0.56 0.26 -0.09 -1.00 0.00 0.00 179.01 178.76 3mw9 h ARG 419 N 0.73 0.72 0.11 2.33 2.43 -1.38 -2.27 114.38 117.05 3mw9 h ARG 419 Ca 0.19 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3mw9 h ARG 419 Cb 0.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3mw9 h ARG 419 CO -0.03 0.55 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.71 3mw9 h LYS 420 N 0.72 -0.14 -2.18 0.20 3.11 -1.02 -3.37 116.57 113.89 3mw9 h LYS 420 Ca 0.18 0.01 -0.79 0.00 -2.81 0.00 0.00 60.65 57.25 3mw9 h LYS 420 Cb 0.05 0.03 -0.28 0.00 -1.00 0.00 0.00 32.23 31.03 3mw9 h LYS 420 CO -0.03 0.35 0.94 1.19 -2.81 0.00 0.00 179.45 179.09 3mw9 n PHE 421 N -4.85 2.89 0.00 1.91 0.99 0.03 -5.00 117.46 113.43 3mw9 n PHE 421 Ca -0.07 -2.58 0.00 0.00 -0.00 0.00 0.00 57.45 54.79 3mw9 n PHE 421 Cb 0.27 -1.15 0.00 0.00 -1.00 0.00 0.00 39.48 37.61 3mw9 n PHE 421 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mw9 n GLY 422 N -0.19 0.00 0.12 1.37 0.00 -0.87 -3.18 105.19 102.45 3mw9 n GLY 422 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 3mw9 n GLY 422 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mw9 h LYS 423 N 0.00 -0.18 -1.58 1.61 6.56 -1.87 -3.26 116.57 117.84 3mw9 h LYS 423 Ca 0.00 0.01 -0.39 0.00 -1.06 0.00 0.00 60.65 59.21 3mw9 h LYS 423 Cb 0.00 0.04 -0.16 0.00 -0.57 0.00 0.00 32.23 31.54 3mw9 h LYS 423 CO 0.00 0.25 0.45 0.72 -2.06 0.00 0.00 179.45 178.81 3mw9 n HIS 424 N -4.89 1.70 0.00 -1.35 8.25 -1.26 -0.55 115.22 117.11 3mw9 n HIS 424 Ca -0.07 -2.05 0.00 0.00 -0.26 0.00 0.00 57.72 55.33 3mw9 n HIS 424 Cb 0.26 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.28 3mw9 n HIS 424 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mw9 n GLY 425 N 0.35 0.00 1.24 -1.41 0.00 -1.19 -5.13 105.19 99.05 3mw9 n GLY 425 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3mw9 n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mw9 n GLY 426 N 2.40 0.91 3.79 -0.02 0.00 0.29 -4.78 105.19 107.78 3mw9 n GLY 426 Ca 0.00 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 3mw9 n GLY 426 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mw9 s THR 427 N 0.00 4.89 -0.55 2.61 2.01 -1.26 -4.82 115.64 118.52 3mw9 s THR 427 Ca 0.00 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.90 3mw9 s THR 427 Cb 0.00 -3.15 0.15 0.00 0.01 0.00 0.00 72.50 69.51 3mw9 s THR 427 CO 0.00 0.52 0.34 -0.63 -0.69 0.00 0.00 174.62 174.16 3mw9 s ILE 428 N -1.05 2.16 -0.28 1.82 1.01 -1.26 -5.08 121.20 118.52 3mw9 s ILE 428 Ca 0.17 -3.38 -0.29 0.00 0.00 0.00 0.00 60.65 57.15 3mw9 s ILE 428 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3mw9 s ILE 428 CO 0.07 -0.94 1.60 -2.16 0.00 0.00 0.00 174.94 173.51 3mw9 s PRO 429 N -0.48 3.66 -0.21 2.79 0.04 -1.26 -4.78 135.00 134.76 3mw9 s PRO 429 Ca 0.21 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 3mw9 s PRO 429 Cb -0.15 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 3mw9 s PRO 429 CO -0.07 -1.46 0.42 0.42 0.04 0.00 0.00 177.00 176.35 3mw9 s ILE 430 N 5.56 5.18 -0.10 0.56 -1.09 -1.26 -5.05 121.20 124.99 3mw9 s ILE 430 Ca 0.71 0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 59.76 3mw9 s ILE 430 Cb -0.22 -3.74 0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3mw9 s ILE 430 CO 0.30 0.23 0.28 -0.69 -1.23 0.00 0.00 174.94 173.83 3mw9 s VAL 431 N 1.46 -0.00 0.46 2.92 1.01 -1.26 -4.82 120.40 120.18 3mw9 s VAL 431 Ca 0.19 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 3mw9 s VAL 431 Cb -0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 3mw9 s VAL 431 CO 0.08 0.00 1.44 -2.65 0.00 0.00 0.00 175.10 173.97 3mw9 n PRO 432 N 2.98 2.21 -0.74 2.72 -0.02 -1.26 -5.00 135.00 135.89 3mw9 n PRO 432 Ca -0.13 0.79 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 3mw9 n PRO 432 Cb 0.58 -2.64 0.21 0.00 -0.02 0.00 0.00 33.50 31.63 3mw9 n PRO 432 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mw9 s THR 433 N -1.20 2.14 0.29 3.45 -4.23 -1.26 -4.74 115.64 110.09 3mw9 s THR 433 Ca 0.62 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3mw9 s THR 433 Cb -0.44 -2.21 0.27 0.00 1.34 0.00 0.00 72.50 71.46 3mw9 s THR 433 CO 0.56 -0.06 1.94 0.00 -0.54 0.00 0.00 174.62 176.53 3mw9 h ALA 434 N -2.24 1.41 -0.03 3.99 0.00 -1.99 0.41 119.26 120.81 3mw9 h ALA 434 Ca -0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3mw9 h ALA 434 Cb 1.31 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3mw9 h ALA 434 CO 0.50 0.52 -0.00 0.93 0.00 0.00 0.00 179.25 181.20 3mw9 h GLU 435 N 1.16 0.05 0.00 0.00 3.07 -2.02 -2.80 114.58 114.04 3mw9 h GLU 435 Ca 0.35 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 3mw9 h GLU 435 Cb -0.04 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3mw9 h GLU 435 CO -0.10 0.38 -0.06 0.35 -1.40 0.00 0.00 179.01 178.18 3mw9 h PHE 436 N -0.29 0.00 -0.70 4.33 3.57 -1.82 -2.19 116.94 119.84 3mw9 h PHE 436 Ca 0.01 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3mw9 h PHE 436 Cb 0.36 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3mw9 h PHE 436 CO 0.05 0.06 0.40 1.96 -2.23 0.00 0.00 178.31 178.55 3mw9 h GLN 437 N 0.00 0.71 -0.79 1.11 1.08 -0.66 0.14 115.11 116.70 3mw9 h GLN 437 Ca -0.00 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3mw9 h GLN 437 Cb 0.11 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3mw9 h GLN 437 CO 0.01 0.47 0.50 -0.44 -0.95 0.00 0.00 178.83 178.41 3mw9 h ASP 438 N 0.73 0.80 -0.05 1.46 3.45 -1.28 -2.49 116.42 119.06 3mw9 h ASP 438 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 3mw9 h ASP 438 Cb 0.18 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3mw9 h ASP 438 CO -0.18 0.54 0.00 0.54 -1.57 0.00 0.00 179.24 178.57 3mw9 n ARG 439 N -4.62 1.58 -0.22 3.56 1.74 -0.52 -4.38 116.66 113.80 3mw9 n ARG 439 Ca 0.10 -0.85 0.28 0.00 -0.77 0.00 0.00 57.85 56.60 3mw9 n ARG 439 Cb 0.11 -1.46 0.68 0.00 -1.02 0.00 0.00 32.46 30.77 3mw9 n ARG 439 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3mw9 h ILE 440 N 1.98 0.55 -0.09 0.55 6.09 -0.53 0.24 117.51 126.29 3mw9 h ILE 440 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3mw9 h ILE 440 Cb 0.42 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.15 3mw9 h ILE 440 CO 0.00 0.02 0.00 -1.20 -3.07 0.00 0.00 178.15 173.90 3mw9 n SER 441 N -4.33 2.35 -0.03 2.19 7.64 -1.26 -3.58 113.62 116.61 3mw9 n SER 441 Ca 0.20 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.30 3mw9 n SER 441 Cb 0.95 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 64.11 3mw9 n SER 441 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mw9 n GLY 442 N 1.28 -1.71 3.77 0.23 0.00 0.83 -4.37 105.19 105.23 3mw9 n GLY 442 Ca 0.17 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 3mw9 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw9 s ALA 443 N -1.66 2.90 0.49 4.61 0.00 -1.26 -4.94 121.76 121.90 3mw9 s ALA 443 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3mw9 s ALA 443 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3mw9 s ALA 443 CO 0.00 -0.66 0.21 -1.54 0.00 0.00 0.00 175.76 173.77 3mw9 s SER 444 N -1.49 4.41 0.32 0.00 1.04 -1.26 -4.18 113.70 112.54 3mw9 s SER 444 Ca 0.66 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.87 3mw9 s SER 444 Cb -0.27 0.13 0.83 0.00 0.10 0.00 0.00 66.02 66.81 3mw9 s SER 444 CO 0.32 -0.84 1.76 -0.08 0.98 0.00 0.00 173.24 175.38 3mw9 h GLU 445 N 1.16 0.65 -0.20 4.02 4.81 -1.94 0.13 114.58 123.19 3mw9 h GLU 445 Ca -0.41 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 3mw9 h GLU 445 Cb 1.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3mw9 h GLU 445 CO 0.66 0.43 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.79 3mw9 h LYS 446 N 0.66 0.44 -0.03 1.92 3.64 -1.95 -1.21 116.57 120.05 3mw9 h LYS 446 Ca 0.61 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 3mw9 h LYS 446 Cb 1.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3mw9 h LYS 446 CO -0.41 0.75 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.06 3mw9 h ASP 447 N 0.37 0.06 -0.90 4.20 3.45 -1.16 -2.24 116.42 120.20 3mw9 h ASP 447 Ca 0.04 -0.41 0.06 0.00 0.43 0.00 0.00 57.03 57.15 3mw9 h ASP 447 Cb 0.81 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.50 3mw9 h ASP 447 CO 0.07 0.46 0.57 0.40 -1.57 0.00 0.00 179.24 179.17 3mw9 h ILE 448 N -0.34 1.06 -0.36 0.35 1.08 -1.26 -0.13 117.51 117.91 3mw9 h ILE 448 Ca 0.01 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 64.03 3mw9 h ILE 448 Cb 0.44 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 3mw9 h ILE 448 CO 0.00 0.19 -0.11 0.58 -0.69 0.00 0.00 178.15 178.12 3mw9 h VAL 449 N 1.04 1.28 -0.01 1.67 2.07 -1.20 0.20 116.25 121.30 3mw9 h VAL 449 Ca 0.39 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3mw9 h VAL 449 Cb 0.17 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3mw9 h VAL 449 CO -0.17 0.39 -0.01 0.45 0.02 0.00 0.00 177.57 178.25 3mw9 h HIS 450 N 0.50 0.02 -0.04 1.57 3.86 -1.03 -2.12 115.15 117.91 3mw9 h HIS 450 Ca 0.09 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3mw9 h HIS 450 Cb 0.63 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3mw9 h HIS 450 CO 0.05 0.62 -0.12 0.66 0.86 0.00 0.00 177.93 180.00 3mw9 h SER 451 N -0.57 0.17 -0.95 2.45 4.64 -1.09 -1.61 113.55 116.58 3mw9 h SER 451 Ca -0.00 -0.61 0.13 0.00 -0.47 0.00 0.00 61.79 60.84 3mw9 h SER 451 Cb 0.62 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.51 3mw9 h SER 451 CO 0.00 0.75 -0.43 0.61 -0.87 0.00 0.00 176.83 176.89 3mw9 n GLY 452 N 0.56 -2.12 0.25 -0.77 0.00 0.69 0.23 105.19 104.04 3mw9 n GLY 452 Ca -0.08 1.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.94 3mw9 n GLY 452 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mw9 h LEU 453 N 0.00 0.80 -0.09 0.99 5.85 -1.34 -2.28 115.31 119.23 3mw9 h LEU 453 Ca 0.28 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mw9 h LEU 453 Cb 0.52 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3mw9 h LEU 453 CO -0.93 0.82 0.04 0.00 -0.34 0.00 0.00 178.44 178.03 3mw9 h ALA 454 N 1.01 0.10 -0.82 1.25 0.00 0.04 -1.44 119.26 119.40 3mw9 h ALA 454 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3mw9 h ALA 454 Cb 0.33 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3mw9 h ALA 454 CO 0.00 -0.42 0.45 -0.92 0.00 0.00 0.00 179.25 178.36 3mw9 h TYR 455 N 0.09 0.80 0.00 0.00 3.20 -0.12 -2.06 116.97 118.88 3mw9 h TYR 455 Ca 0.03 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3mw9 h TYR 455 Cb 0.00 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3mw9 h TYR 455 CO -0.09 0.28 -0.66 1.79 -1.64 0.00 0.00 178.16 177.84 3mw9 h THR 456 N 0.72 1.11 -0.09 1.81 1.35 -0.90 -2.20 112.91 114.70 3mw9 h THR 456 Ca 0.41 -2.57 -0.16 0.00 -0.55 0.00 0.00 66.41 63.55 3mw9 h THR 456 Cb 0.46 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 3mw9 h THR 456 CO -0.29 0.63 -0.62 0.24 -0.25 0.00 0.00 175.52 175.24 3mw9 h MET 457 N 0.00 0.32 0.20 4.72 2.86 -1.01 -2.05 114.93 119.96 3mw9 h MET 457 Ca -0.01 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3mw9 h MET 457 Cb 1.50 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.20 3mw9 h MET 457 CO 0.08 0.84 -0.10 1.49 1.06 0.00 0.00 176.91 180.29 3mw9 h GLU 458 N 0.24 -0.26 -0.76 1.72 4.22 -1.39 -1.88 114.58 116.47 3mw9 h GLU 458 Ca -0.01 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.62 3mw9 h GLU 458 Cb 1.15 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 3mw9 h GLU 458 CO 0.10 0.12 0.20 -0.09 -2.18 0.00 0.00 179.01 177.16 3mw9 h ARG 459 N -0.92 0.28 0.00 1.92 2.43 -1.47 -1.17 114.38 115.45 3mw9 h ARG 459 Ca -0.03 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3mw9 h ARG 459 Cb 0.49 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3mw9 h ARG 459 CO 0.04 0.18 -0.56 0.77 -1.51 0.00 0.00 179.97 178.90 3mw9 h SER 460 N 0.28 0.00 -0.38 -3.80 0.02 -1.42 -2.64 113.55 105.62 3mw9 h SER 460 Ca 0.43 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.23 3mw9 h SER 460 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3mw9 h SER 460 CO -0.52 0.56 -0.36 0.00 -1.14 0.00 0.00 176.83 175.37 3mw9 h ALA 461 N 1.44 0.61 -0.19 3.77 0.00 -0.38 -2.46 119.26 122.05 3mw9 h ALA 461 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3mw9 h ALA 461 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3mw9 h ALA 461 CO 0.07 0.68 -0.18 0.00 0.00 0.00 0.00 179.25 179.82 3mw9 h ARG 462 N 0.76 0.32 -0.16 0.00 3.08 -1.26 -0.36 114.38 116.77 3mw9 h ARG 462 Ca 0.07 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3mw9 h ARG 462 Cb 0.95 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3mw9 h ARG 462 CO 0.09 0.50 -0.46 1.96 -1.07 0.00 0.00 179.97 180.99 3mw9 h GLN 463 N 0.30 0.39 0.14 0.04 4.20 -1.37 -0.89 115.11 117.91 3mw9 h GLN 463 Ca 0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3mw9 h GLN 463 Cb 0.50 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3mw9 h GLN 463 CO 0.03 0.77 -0.07 0.82 -0.67 0.00 0.00 178.83 179.72 3mw9 h ILE 464 N 0.31 0.99 -0.21 2.54 2.04 -0.94 -2.72 117.51 119.52 3mw9 h ILE 464 Ca 0.02 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.82 3mw9 h ILE 464 Cb 0.93 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 38.56 3mw9 h ILE 464 CO 0.08 0.24 -0.33 0.24 0.00 0.00 0.00 178.15 178.38 3mw9 h MET 465 N -0.77 -0.35 -0.87 2.37 2.86 -1.13 -0.99 114.93 116.04 3mw9 h MET 465 Ca -0.02 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 57.87 3mw9 h MET 465 Cb 0.54 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 3mw9 h MET 465 CO 0.03 -0.23 0.60 -0.09 1.06 0.00 0.00 176.91 178.28 3mw9 h ARG 466 N -0.36 0.22 0.03 1.72 2.43 -1.22 -0.45 114.38 116.75 3mw9 h ARG 466 Ca 0.11 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.02 3mw9 h ARG 466 Cb 0.55 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3mw9 h ARG 466 CO -0.41 0.15 -1.28 1.15 -1.51 0.00 0.00 179.97 178.06 3mw9 h THR 467 N 0.23 1.40 -0.03 0.20 2.02 -0.97 -2.85 112.91 112.91 3mw9 h THR 467 Ca 0.44 -3.12 -0.21 0.00 0.77 0.00 0.00 66.41 64.29 3mw9 h THR 467 Cb 1.37 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 3mw9 h THR 467 CO -0.11 0.83 -0.88 0.00 0.37 0.00 0.00 175.52 175.73 3mw9 h ALA 468 N 0.87 0.42 -0.50 6.16 0.00 0.13 -2.67 119.26 123.67 3mw9 h ALA 468 Ca -0.13 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 53.99 3mw9 h ALA 468 Cb 1.89 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 3mw9 h ALA 468 CO 0.13 0.80 -0.14 0.52 0.00 0.00 0.00 179.25 180.56 3mw9 h MET 469 N 0.25 0.95 -0.63 0.00 2.07 -1.31 0.15 114.93 116.41 3mw9 h MET 469 Ca -0.07 -0.36 -0.06 0.00 -2.07 0.00 0.00 59.70 57.14 3mw9 h MET 469 Cb 1.50 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 31.15 3mw9 h MET 469 CO 0.15 1.02 0.14 -0.22 1.07 0.00 0.00 176.91 179.07 3mw9 h LYS 470 N 0.84 1.00 -0.52 1.72 3.64 -1.42 -3.03 116.57 118.80 3mw9 h LYS 470 Ca 0.13 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 3mw9 h LYS 470 Cb 0.69 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 3mw9 h LYS 470 CO 0.05 0.90 0.14 0.66 -2.27 0.00 0.00 179.45 178.92 3mw9 n TYR 471 N -4.24 1.72 -3.86 1.91 4.02 -1.02 -4.98 117.16 110.71 3mw9 n TYR 471 Ca 0.05 -1.29 -0.32 0.00 -0.01 0.00 0.00 57.90 56.33 3mw9 n TYR 471 Cb 0.25 -0.56 0.01 0.00 -0.02 0.00 0.00 39.34 39.03 3mw9 n TYR 471 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3mw9 n ASN 472 N -0.62 -3.74 0.00 7.72 3.02 -0.81 -4.86 115.26 115.98 3mw9 n ASN 472 Ca 0.35 -1.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.01 3mw9 n ASN 472 Cb 1.18 -1.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 3mw9 n ASN 472 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mw9 n LEU 473 N -3.55 0.42 0.00 3.41 4.77 0.45 -5.03 117.00 117.47 3mw9 n LEU 473 Ca -0.18 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3mw9 n LEU 473 Cb 0.53 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3mw9 n LEU 473 CO 0.60 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3mw9 n GLY 474 N 1.34 3.47 0.94 -0.72 0.00 -1.26 -1.78 105.19 107.18 3mw9 n GLY 474 Ca -0.01 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3mw9 n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mw9 n LEU 475 N 0.00 2.77 -3.74 0.99 4.77 -1.26 -4.61 117.00 115.91 3mw9 n LEU 475 Ca 0.00 -1.26 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 3mw9 n LEU 475 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3mw9 n LEU 475 CO 0.00 0.63 2.25 -0.67 -1.33 0.00 0.00 177.39 178.27 3mw9 n ASP 476 N 1.03 5.54 0.23 -1.43 4.64 -0.73 -4.49 116.55 121.33 3mw9 n ASP 476 Ca 0.18 -3.03 0.10 0.00 -1.38 0.00 0.00 54.79 50.66 3mw9 n ASP 476 Cb 0.48 -1.50 0.56 0.00 -1.04 0.00 0.00 41.12 39.62 3mw9 n ASP 476 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3mw9 h LEU 477 N 7.84 0.00 0.00 -2.67 3.38 -1.81 -3.08 115.31 118.96 3mw9 h LEU 477 Ca 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.47 3mw9 h LEU 477 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3mw9 h LEU 477 CO 1.66 0.21 -0.00 -0.09 0.09 0.00 0.00 178.44 180.31 3mw9 h ARG 478 N 0.00 -0.00 0.00 1.13 2.43 -1.85 -1.38 114.38 114.70 3mw9 h ARG 478 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3mw9 h ARG 478 Cb 0.57 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3mw9 h ARG 478 CO 0.03 0.01 -0.16 1.79 -1.51 0.00 0.00 179.97 180.13 3mw9 h THR 479 N -0.01 0.36 -0.41 0.20 1.35 -1.90 -1.41 112.91 111.07 3mw9 h THR 479 Ca -0.00 -1.02 -0.12 0.00 -0.55 0.00 0.00 66.41 64.72 3mw9 h THR 479 Cb 0.01 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3mw9 h THR 479 CO 0.00 0.15 -0.21 0.00 -0.25 0.00 0.00 175.52 175.22 3mw9 h ALA 480 N 1.84 0.58 0.06 6.62 0.00 -1.47 -0.91 119.26 125.98 3mw9 h ALA 480 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mw9 h ALA 480 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mw9 h ALA 480 CO 0.02 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 3mw9 h ALA 481 N 0.82 -0.07 -0.85 0.00 0.00 -0.78 -2.13 119.26 116.25 3mw9 h ALA 481 Ca 0.09 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3mw9 h ALA 481 Cb 0.77 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3mw9 h ALA 481 CO 0.06 -0.45 0.50 1.88 0.00 0.00 0.00 179.25 181.25 3mw9 h TYR 482 N -0.26 0.92 -0.34 0.00 -1.99 -1.27 0.37 116.97 114.40 3mw9 h TYR 482 Ca -0.01 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.79 3mw9 h TYR 482 Cb 0.23 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 3mw9 h TYR 482 CO -0.01 0.41 0.13 0.28 -0.00 0.00 0.00 178.16 178.97 3mw9 h VAL 483 N 0.87 0.92 -0.15 -2.88 2.07 -1.03 0.41 116.25 116.46 3mw9 h VAL 483 Ca 0.39 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3mw9 h VAL 483 Cb 0.30 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3mw9 h VAL 483 CO -0.22 0.05 0.10 0.78 0.02 0.00 0.00 177.57 178.30 3mw9 h ASN 484 N 0.28 0.17 0.09 0.57 2.35 -0.69 -2.04 115.58 116.32 3mw9 h ASN 484 Ca 0.15 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3mw9 h ASN 484 Cb 0.11 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3mw9 h ASN 484 CO -0.15 0.13 -0.34 0.00 -1.65 0.00 0.00 177.43 175.42 3mw9 h ALA 485 N 1.05 -0.58 0.01 -0.83 0.00 -0.22 -2.49 119.26 116.21 3mw9 h ALA 485 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mw9 h ALA 485 Cb -0.02 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3mw9 h ALA 485 CO -0.01 -0.89 -0.34 0.82 0.00 0.00 0.00 179.25 178.83 3mw9 h ILE 486 N -0.56 0.27 -0.99 0.00 2.04 -0.19 -0.92 117.51 117.16 3mw9 h ILE 486 Ca 0.04 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.11 3mw9 h ILE 486 Cb 0.60 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.86 3mw9 h ILE 486 CO -0.22 0.00 0.62 -0.08 0.00 0.00 0.00 178.15 178.47 3mw9 h GLU 487 N -0.50 0.58 -0.07 2.37 4.81 -1.27 0.45 114.58 120.94 3mw9 h GLU 487 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3mw9 h GLU 487 Cb 0.58 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3mw9 h GLU 487 CO -0.27 0.38 -0.18 0.87 -0.73 0.00 0.00 179.01 179.09 3mw9 h LYS 488 N 0.59 0.24 -0.23 1.92 1.57 -0.92 -2.82 116.57 116.92 3mw9 h LYS 488 Ca 0.56 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 3mw9 h LYS 488 Cb 1.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3mw9 h LYS 488 CO -0.33 0.78 -0.08 0.28 -0.57 0.00 0.00 179.45 179.53 3mw9 h VAL 489 N -0.26 1.29 -0.84 0.50 2.07 -0.34 -3.10 116.25 115.58 3mw9 h VAL 489 Ca -0.00 -1.11 0.16 0.00 0.82 0.00 0.00 66.70 66.57 3mw9 h VAL 489 Cb 0.78 1.56 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 3mw9 h VAL 489 CO 0.04 0.34 0.39 0.15 0.02 0.00 0.00 177.57 178.51 3mw9 h PHE 490 N 0.17 0.66 -0.19 1.57 3.57 -0.21 0.29 116.94 122.81 3mw9 h PHE 490 Ca 0.05 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3mw9 h PHE 490 Cb 0.56 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3mw9 h PHE 490 CO 0.06 0.09 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.13 3mw9 h ARG 491 N 0.51 0.27 -0.21 1.11 2.43 -1.42 -0.18 114.38 116.89 3mw9 h ARG 491 Ca 0.48 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.49 3mw9 h ARG 491 Cb 0.75 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3mw9 h ARG 491 CO -0.42 0.30 -0.31 0.28 -1.51 0.00 0.00 179.97 178.31 3mw9 h VAL 492 N 0.26 1.33 -0.37 0.20 2.07 -0.94 -1.94 116.25 116.86 3mw9 h VAL 492 Ca 0.06 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 3mw9 h VAL 492 Cb 0.19 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3mw9 h VAL 492 CO 0.00 0.47 -0.21 1.88 0.02 0.00 0.00 177.57 179.73 3mw9 h TYR 493 N 0.25 0.93 0.36 1.57 -1.99 -1.11 -2.62 116.97 114.36 3mw9 h TYR 493 Ca 0.02 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3mw9 h TYR 493 Cb 0.89 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 3mw9 h TYR 493 CO 0.09 1.00 -0.27 -0.97 -0.00 0.00 0.00 178.16 178.00 3mw9 h ASN 494 N 0.60 -0.71 0.00 3.88 -0.00 -1.07 -1.36 115.58 116.92 3mw9 h ASN 494 Ca 0.08 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 3mw9 h ASN 494 Cb 0.77 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.32 3mw9 h ASN 494 CO 0.06 -0.41 0.00 -0.62 -0.00 0.00 0.00 177.43 176.46 3mw9 n GLU 495 N -5.40 0.92 -0.24 6.67 1.02 -0.73 -3.44 120.64 119.44 3mw9 n GLU 495 Ca -0.10 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3mw9 n GLU 495 Cb 0.30 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.45 3mw9 n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mw9 n ALA 496 N -1.00 2.36 -1.15 0.62 0.00 -0.99 -4.92 120.51 115.42 3mw9 n ALA 496 Ca 0.22 -1.11 -0.05 0.00 0.00 0.00 0.00 53.44 52.50 3mw9 n ALA 496 Cb 0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3mw9 n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mw9 n GLY 497 N 1.28 0.74 5.15 0.00 0.00 -1.22 -4.44 105.19 106.70 3mw9 n GLY 497 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3mw9 n GLY 497 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mw9 n VAL 498 N -2.68 0.00 -3.43 1.61 0.31 -0.54 -4.70 118.33 108.90 3mw9 n VAL 498 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 3mw9 n VAL 498 Cb 0.26 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.16 3mw9 n VAL 498 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3mw9 s THR 499 N 0.00 0.00 -1.19 2.52 -1.32 -1.26 -4.98 115.64 109.41 3mw9 s THR 499 Ca 0.00 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 3mw9 s THR 499 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3mw9 s THR 499 CO 0.00 0.00 1.77 0.72 -2.21 0.00 0.00 174.62 174.90 3mw9 s PHE 500 N -3.56 2.40 -2.00 9.09 -0.12 -1.26 -5.21 117.98 117.32 3mw9 s PHE 500 Ca 0.01 -0.67 0.13 0.00 -0.05 0.00 0.00 56.93 56.35 3mw9 s PHE 500 Cb -0.01 -4.45 0.76 0.00 -0.63 0.00 0.00 43.02 38.69 3mw9 s PHE 500 CO -0.11 -1.64 1.19 2.41 -0.05 0.00 0.00 175.22 177.02