#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 -5.11 116.55 114.81 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 0.08 -0.67 1.85 -1.26 -4.91 116.66 111.75 3mw9 n ARG 3 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 3mw9 n ARG 3 Cb 0.00 0.00 0.45 0.00 -1.05 0.00 0.00 32.46 31.86 3mw9 n ARG 3 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3mw9 n GLU 4 N 0.00 0.14 -3.02 2.89 -0.58 -1.26 -4.44 120.64 114.37 3mw9 n GLU 4 Ca 0.00 0.29 -0.01 0.00 -0.42 0.00 0.00 57.16 57.02 3mw9 n GLU 4 Cb 0.00 -1.73 -0.00 0.00 -0.57 0.00 0.00 31.44 29.14 3mw9 n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3mw9 s ASP 5 N -3.89 -1.41 -0.40 1.62 2.15 -1.26 -4.94 116.67 108.55 3mw9 s ASP 5 Ca 0.07 -1.05 0.08 0.00 0.43 0.00 0.00 52.55 52.08 3mw9 s ASP 5 Cb 0.11 1.82 0.25 0.00 -0.30 0.00 0.00 42.92 44.80 3mw9 s ASP 5 CO 0.43 -0.12 0.56 -0.67 -0.17 0.00 0.00 175.17 175.20 3mw9 n ASP 6 N 3.83 -0.02 -4.77 -0.34 2.03 -1.26 -4.50 116.55 111.53 3mw9 n ASP 6 Ca 0.13 -2.75 -0.40 0.00 0.52 0.00 0.00 54.79 52.29 3mw9 n ASP 6 Cb 0.57 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.11 4.28 -0.20 -0.67 0.04 -1.26 -4.94 135.00 131.15 3mw9 s PRO 7 Ca 0.35 2.11 -0.43 0.00 0.04 0.00 0.00 61.00 63.08 3mw9 s PRO 7 Cb 0.18 -2.98 -0.20 0.00 0.04 0.00 0.00 34.50 31.55 3mw9 s PRO 7 CO -0.12 -0.21 1.29 -1.71 0.04 0.00 0.00 177.00 176.29 3mw9 n ASN 8 N 0.63 0.53 -0.22 6.66 2.85 -1.26 -4.84 115.26 119.61 3mw9 n ASN 8 Ca 0.01 1.17 -0.08 0.00 -0.11 0.00 0.00 54.58 55.57 3mw9 n ASN 8 Cb 0.43 -0.91 0.03 0.00 1.24 0.00 0.00 39.78 40.57 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 3.87 1.01 -0.44 1.20 -0.00 -1.92 -1.05 116.94 119.61 3mw9 h PHE 9 Ca -0.48 -0.11 -0.07 0.00 -0.00 0.00 0.00 57.97 57.31 3mw9 h PHE 9 Cb 1.40 -0.29 -0.02 0.00 -0.00 0.00 0.00 35.95 37.05 3mw9 h PHE 9 CO 0.60 0.83 0.01 0.35 -0.00 0.00 0.00 178.31 180.11 3mw9 h PHE 10 N 0.89 0.83 0.00 0.41 -0.00 -1.89 -2.83 116.94 114.36 3mw9 h PHE 10 Ca 0.20 -0.14 -0.08 0.00 -0.00 0.00 0.00 57.97 57.95 3mw9 h PHE 10 Cb 0.31 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 36.03 3mw9 h PHE 10 CO 0.02 0.82 -0.39 0.87 -0.00 0.00 0.00 178.31 179.63 3mw9 h LYS 11 N 0.61 0.00 -0.78 1.11 1.57 -1.89 -1.44 116.57 115.75 3mw9 h LYS 11 Ca 0.13 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3mw9 h LYS 11 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3mw9 h LYS 11 CO 0.02 0.39 0.52 1.98 -0.57 0.00 0.00 179.45 181.79 3mw9 h MET 12 N 0.00 1.02 -0.04 3.15 4.05 -0.96 0.29 114.93 122.44 3mw9 h MET 12 Ca -0.00 -0.06 -0.25 0.00 -0.28 0.00 0.00 59.70 59.11 3mw9 h MET 12 Cb 0.86 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.45 3mw9 h MET 12 CO 0.05 0.68 -0.95 0.28 0.23 0.00 0.00 176.91 177.20 3mw9 h VAL 13 N 1.05 1.30 -0.95 -5.77 2.07 -1.15 -2.13 116.25 110.66 3mw9 h VAL 13 Ca 0.29 -2.20 0.09 0.00 0.82 0.00 0.00 66.70 65.69 3mw9 h VAL 13 Cb -0.12 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3mw9 h VAL 13 CO -0.06 0.68 0.60 -0.33 0.02 0.00 0.00 177.57 178.47 3mw9 h GLU 14 N 0.40 1.00 -0.37 1.57 5.08 -1.08 -1.42 114.58 119.76 3mw9 h GLU 14 Ca -0.10 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3mw9 h GLU 14 Cb 1.59 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 3mw9 h GLU 14 CO 0.18 0.66 0.14 0.78 -1.00 0.00 0.00 179.01 179.77 3mw9 h GLY 15 N 1.03 0.48 1.72 -3.84 0.00 -0.69 0.23 103.07 102.00 3mw9 h GLY 15 Ca 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3mw9 h GLY 15 CO -0.21 0.03 0.17 0.74 0.00 0.00 0.00 176.54 177.27 3mw9 h PHE 16 N 0.29 0.36 -0.09 5.60 0.05 -0.68 -2.30 116.94 120.17 3mw9 h PHE 16 Ca 0.17 0.01 -0.13 0.00 3.82 0.00 0.00 57.97 61.84 3mw9 h PHE 16 Cb 0.14 -0.12 0.01 0.00 2.00 0.00 0.00 35.95 37.98 3mw9 h PHE 16 CO -0.14 0.23 -0.44 0.35 -0.18 0.00 0.00 178.31 178.13 3mw9 h PHE 17 N 0.38 0.62 -0.94 -0.55 3.57 -0.19 -2.94 116.94 116.89 3mw9 h PHE 17 Ca 0.10 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.34 3mw9 h PHE 17 Cb -0.02 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 3mw9 h PHE 17 CO 0.00 1.03 0.60 -0.44 -2.23 0.00 0.00 178.31 177.28 3mw9 h ASP 18 N 0.02 1.09 -0.32 0.41 3.32 -0.28 0.07 116.42 120.73 3mw9 h ASP 18 Ca -0.03 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mw9 h ASP 18 Cb 1.09 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3mw9 h ASP 18 CO 0.09 0.80 0.17 -0.09 -1.72 0.00 0.00 179.24 178.49 3mw9 h ARG 19 N 1.27 0.34 0.00 3.56 9.65 -1.36 -1.39 114.38 126.45 3mw9 h ARG 19 Ca 0.34 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.12 3mw9 h ARG 19 Cb -0.12 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 3mw9 h ARG 19 CO -0.07 0.22 -0.36 0.78 2.80 0.00 0.00 179.97 183.34 3mw9 h GLY 20 N 0.35 0.00 0.67 2.80 0.00 -1.26 -3.13 103.07 102.50 3mw9 h GLY 20 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3mw9 h GLY 20 CO -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.45 3mw9 h ALA 21 N 1.64 0.00 -0.67 3.60 0.00 -0.25 -2.81 119.26 120.78 3mw9 h ALA 21 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3mw9 h ALA 21 Cb 0.88 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3mw9 h ALA 21 CO 0.05 -0.33 0.42 0.66 0.00 0.00 0.00 179.25 180.05 3mw9 h SER 22 N -0.33 0.70 -0.07 0.00 4.64 -1.27 0.80 113.55 118.01 3mw9 h SER 22 Ca 0.00 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3mw9 h SER 22 Cb 0.34 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3mw9 h SER 22 CO 0.00 0.49 -0.26 0.40 -0.87 0.00 0.00 176.83 176.59 3mw9 h ILE 23 N 0.84 0.40 0.00 0.95 1.08 -1.51 -3.04 117.51 116.23 3mw9 h ILE 23 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 3mw9 h ILE 23 Cb -0.01 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3mw9 h ILE 23 CO -0.09 0.00 -0.31 -0.37 -0.69 0.00 0.00 178.15 176.69 3mw9 h VAL 24 N -0.36 0.00 -1.04 1.67 -1.51 -1.26 -3.38 116.25 110.36 3mw9 h VAL 24 Ca 0.08 -0.77 0.30 0.00 -1.23 0.00 0.00 66.70 65.09 3mw9 h VAL 24 Cb 0.48 1.59 -0.04 0.00 -2.13 0.00 0.00 31.29 31.19 3mw9 h VAL 24 CO -0.28 0.00 0.82 -0.08 -1.23 0.00 0.00 177.57 176.81 3mw9 h GLU 25 N 0.00 0.00 -0.04 5.19 4.81 -0.72 0.98 114.58 124.81 3mw9 h GLU 25 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3mw9 h GLU 25 Cb 0.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3mw9 h GLU 25 CO 0.00 0.00 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.80 3mw9 h ASP 26 N 0.00 0.10 -0.04 1.04 3.45 -1.77 -3.00 116.42 116.20 3mw9 h ASP 26 Ca 0.49 -0.48 0.01 0.00 0.43 0.00 0.00 57.03 57.48 3mw9 h ASP 26 Cb 2.14 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 40.88 3mw9 h ASP 26 CO -0.01 0.56 0.04 0.50 -1.57 0.00 0.00 179.24 178.76 3mw9 h LYS 27 N -0.36 0.00 0.04 3.56 3.64 0.71 0.54 116.57 124.71 3mw9 h LYS 27 Ca 0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3mw9 h LYS 27 Cb 0.53 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3mw9 h LYS 27 CO 0.01 0.00 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.58 3mw9 h LEU 28 N 0.00 0.41 -0.72 5.20 3.38 -1.43 -2.61 115.31 119.53 3mw9 h LEU 28 Ca 0.02 -0.84 0.04 0.00 0.09 0.00 0.00 57.88 57.19 3mw9 h LEU 28 Cb 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3mw9 h LEU 28 CO -0.00 1.20 0.44 0.58 0.09 0.00 0.00 178.44 180.75 3mw9 h VAL 29 N -0.33 1.07 0.00 1.22 2.07 -1.31 -3.05 116.25 115.91 3mw9 h VAL 29 Ca -0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3mw9 h VAL 29 Cb 1.32 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3mw9 h VAL 29 CO 0.10 0.15 0.00 1.21 0.02 0.00 0.00 177.57 179.06 3mw9 n GLU 30 N -4.68 0.00 0.00 1.57 4.07 0.14 -2.93 120.64 118.82 3mw9 n GLU 30 Ca 0.08 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 3mw9 n GLU 30 Cb 0.11 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 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 -0.55 0.01 -4.40 4.31 3.85 -0.99 -4.43 116.55 114.34 3mw9 n ASP 31 Ca 0.00 -0.43 -0.45 0.00 -0.71 0.00 0.00 54.79 53.21 3mw9 n ASP 31 Cb 0.00 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 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 -0.98 5.34 -0.24 -2.12 2.96 -1.15 -5.03 118.68 117.46 3mw9 s LEU 32 Ca 0.00 -1.68 -0.24 0.00 -0.22 0.00 0.00 54.13 51.99 3mw9 s LEU 32 Cb 0.00 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 3mw9 s LEU 32 CO 0.00 -1.08 0.79 -0.54 -1.32 0.00 0.00 176.35 174.20 3mw9 s LYS 33 N 2.57 4.18 -0.05 1.98 -0.14 -1.26 -4.97 119.74 122.05 3mw9 s LYS 33 Ca 0.19 0.88 -0.12 0.00 -1.36 0.00 0.00 55.97 55.55 3mw9 s LYS 33 Cb -0.16 -3.64 0.02 0.00 -1.68 0.00 0.00 37.83 32.37 3mw9 s LYS 33 CO 0.01 -0.47 0.29 0.99 -0.76 0.00 0.00 175.35 175.41 3mw9 s THR 34 N 2.69 0.04 0.01 2.17 2.01 -1.26 -5.07 115.64 116.23 3mw9 s THR 34 Ca 0.34 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3mw9 s THR 34 Cb -0.15 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 3mw9 s THR 34 CO 0.08 -0.18 0.97 -0.09 -0.69 0.00 0.00 174.62 174.70 3mw9 h ARG 35 N 4.55 -0.39 -1.10 4.92 9.65 -2.05 -2.86 114.38 127.10 3mw9 h ARG 35 Ca -0.29 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 3mw9 h ARG 35 Cb 1.18 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 3mw9 h ARG 35 CO 0.37 -0.26 0.00 0.39 2.80 0.00 0.00 179.97 183.27 3mw9 n GLU 36 N -3.29 0.48 -1.32 0.20 -0.58 -1.26 -4.85 120.64 110.02 3mw9 n GLU 36 Ca -0.05 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.24 3mw9 n GLU 36 Cb 0.16 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.56 1.66 0.00 2.62 5.66 -1.08 -4.69 114.28 119.00 3mw9 n THR 37 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3mw9 n THR 37 Cb 0.19 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 3mw9 n THR 37 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3mw9 n GLU 38 N 1.01 0.00 -0.72 1.09 0.28 -1.26 -4.90 120.64 116.15 3mw9 n GLU 38 Ca 0.16 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.19 3mw9 n GLU 38 Cb 0.27 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.43 3mw9 n GLU 38 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3mw9 n GLU 39 N 0.00 3.36 0.00 3.44 -0.58 -1.26 -3.45 120.64 122.16 3mw9 n GLU 39 Ca 0.00 -3.01 0.12 0.00 -0.42 0.00 0.00 57.16 53.85 3mw9 n GLU 39 Cb 0.00 -2.02 0.24 0.00 -0.57 0.00 0.00 31.44 29.09 3mw9 n GLU 39 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3mw9 n GLN 40 N -0.29 0.16 0.21 3.49 -0.06 -1.26 -3.77 117.38 115.86 3mw9 n GLN 40 Ca 0.29 -0.10 -0.15 0.00 -2.00 0.00 0.00 57.00 55.04 3mw9 n GLN 40 Cb 1.09 -1.50 -0.08 0.00 -4.06 0.00 0.00 30.24 25.69 3mw9 n GLN 40 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 3mw9 h LYS 41 N 0.24 -0.50 -1.04 3.69 1.57 -1.83 -2.03 116.57 116.67 3mw9 h LYS 41 Ca 0.00 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.08 3mw9 h LYS 41 Cb 0.50 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 3mw9 h LYS 41 CO 0.00 -0.24 0.69 0.00 -0.57 0.00 0.00 179.45 179.32 3mw9 h ARG 42 N -0.67 0.30 0.00 3.15 2.47 -1.78 -1.06 114.38 116.80 3mw9 h ARG 42 Ca -0.05 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3mw9 h ARG 42 Cb 0.48 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3mw9 h ARG 42 CO 0.09 0.20 -0.66 -0.91 0.56 0.00 0.00 179.97 179.24 3mw9 h ASN 43 N 0.31 0.00 0.08 7.04 2.35 -1.63 -2.49 115.58 121.25 3mw9 h ASN 43 Ca 0.57 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 56.12 3mw9 h ASN 43 Cb 1.59 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.98 3mw9 h ASN 43 CO -0.22 0.03 -0.60 -0.09 -1.65 0.00 0.00 177.43 174.90 3mw9 h ARG 44 N 0.00 0.26 -0.28 0.81 2.43 -0.48 -2.96 114.38 114.16 3mw9 h ARG 44 Ca 0.00 -0.39 0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3mw9 h ARG 44 Cb 0.92 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3mw9 h ARG 44 CO 0.00 1.15 -0.02 0.28 -1.51 0.00 0.00 179.97 179.87 3mw9 h VAL 45 N -0.44 0.77 0.00 0.20 2.07 -1.33 -1.14 116.25 116.39 3mw9 h VAL 45 Ca -0.10 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3mw9 h VAL 45 Cb 1.43 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3mw9 h VAL 45 CO 0.11 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.74 3mw9 h ARG 46 N 0.05 0.00 0.17 1.57 3.08 -1.57 -1.07 114.38 116.61 3mw9 h ARG 46 Ca 0.13 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.86 3mw9 h ARG 46 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3mw9 h ARG 46 CO -0.24 0.00 -1.51 0.77 -1.07 0.00 0.00 179.97 177.91 3mw9 h SER 47 N 0.00 0.57 0.17 7.04 0.02 -1.24 -2.66 113.55 117.45 3mw9 h SER 47 Ca 0.00 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 60.24 3mw9 h SER 47 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3mw9 h SER 47 CO 0.00 1.57 -0.08 0.40 -1.14 0.00 0.00 176.83 177.58 3mw9 h ILE 48 N 0.10 0.95 -0.95 3.27 2.04 -0.95 -2.68 117.51 119.30 3mw9 h ILE 48 Ca -0.25 -0.74 0.25 0.00 1.00 0.00 0.00 64.86 65.12 3mw9 h ILE 48 Cb 2.07 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 39.48 3mw9 h ILE 48 CO 0.20 0.17 0.65 -0.07 0.00 0.00 0.00 178.15 179.10 3mw9 h LEU 49 N -0.60 0.22 -0.65 1.44 3.38 -1.32 0.62 115.31 118.40 3mw9 h LEU 49 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mw9 h LEU 49 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mw9 h LEU 49 CO 0.04 0.07 0.00 -0.09 0.09 0.00 0.00 178.44 178.55 3mw9 h ARG 50 N 0.21 0.00 0.14 1.13 2.43 -1.20 -3.11 114.38 113.98 3mw9 h ARG 50 Ca 0.48 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.31 3mw9 h ARG 50 Cb 1.53 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3mw9 h ARG 50 CO -0.12 0.00 -1.73 0.82 -1.51 0.00 0.00 179.97 177.43 3mw9 h ILE 51 N 0.00 0.94 -0.79 1.20 2.04 0.56 -3.38 117.51 118.08 3mw9 h ILE 51 Ca 0.00 -2.58 -0.04 0.00 1.00 0.00 0.00 64.86 63.24 3mw9 h ILE 51 Cb 0.66 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 3mw9 h ILE 51 CO 0.00 0.83 0.35 0.40 0.00 0.00 0.00 178.15 179.73 3mw9 h ILE 52 N 0.08 1.25 0.23 -0.67 2.04 -1.35 -3.33 117.51 115.77 3mw9 h ILE 52 Ca -0.32 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3mw9 h ILE 52 Cb 2.06 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3mw9 h ILE 52 CO 0.15 0.31 -0.11 0.11 0.00 0.00 0.00 178.15 178.61 3mw9 h LYS 53 N 1.13 -0.30 -7.21 2.37 1.57 -1.73 -3.44 116.57 108.95 3mw9 h LYS 53 Ca 0.27 0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 58.57 3mw9 h LYS 53 Cb 0.16 0.07 0.07 0.00 0.08 0.00 0.00 32.23 32.62 3mw9 h LYS 53 CO -0.03 -0.15 0.38 -1.25 -0.57 0.00 0.00 179.45 177.83 3mw9 s PRO 54 N -5.85 3.17 0.15 3.15 0.04 -1.25 -5.01 135.00 129.40 3mw9 s PRO 54 Ca -0.15 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 3mw9 s PRO 54 Cb 0.04 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3mw9 s PRO 54 CO 0.64 -0.93 1.13 0.00 0.04 0.00 0.00 177.00 177.87 3mw9 h ASN 56 N 5.45 0.69 -3.57 0.00 -0.26 -0.93 -3.46 115.58 113.50 3mw9 h ASN 56 Ca -0.44 -0.37 -0.23 0.00 -0.56 0.00 0.00 56.30 54.71 3mw9 h ASN 56 Cb 1.21 -0.19 -0.30 0.00 -1.06 0.00 0.00 38.32 37.99 3mw9 h ASN 56 CO 0.74 0.90 -0.60 -1.00 -1.06 0.00 0.00 177.43 176.41 3mw9 s HIS 57 N -4.77 -0.14 -0.06 1.19 3.76 -0.54 -5.02 115.29 109.71 3mw9 s HIS 57 Ca -0.13 0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 55.17 3mw9 s HIS 57 Cb 0.09 -0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.77 3mw9 s HIS 57 CO 0.80 -0.12 0.02 0.08 -0.85 0.00 0.00 174.74 174.67 3mw9 s VAL 58 N 0.73 0.20 -0.19 -0.90 1.01 -1.26 0.48 120.40 120.46 3mw9 s VAL 58 Ca -0.05 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3mw9 s VAL 58 Cb -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3mw9 s VAL 58 CO -0.03 0.22 0.03 -0.22 0.00 0.00 0.00 175.10 175.10 3mw9 s LEU 59 N 1.91 3.52 -0.11 3.92 2.96 -0.10 -4.98 118.68 125.80 3mw9 s LEU 59 Ca 0.03 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3mw9 s LEU 59 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3mw9 s LEU 59 CO -0.04 0.12 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.53 3mw9 s SER 60 N 0.71 3.99 0.08 3.68 0.01 -1.26 -1.16 113.70 119.75 3mw9 s SER 60 Ca 0.02 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.00 3mw9 s SER 60 Cb -0.14 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 3mw9 s SER 60 CO 0.02 0.21 -0.09 -1.48 0.41 0.00 0.00 173.24 172.31 3mw9 s LEU 61 N 0.09 2.38 -0.09 2.44 0.05 -0.82 -5.00 118.68 117.73 3mw9 s LEU 61 Ca -0.06 -0.77 0.02 0.00 0.05 0.00 0.00 54.13 53.37 3mw9 s LEU 61 Cb -0.15 -0.20 0.01 0.00 -2.05 0.00 0.00 46.19 43.80 3mw9 s LEU 61 CO 0.05 -0.29 -0.16 -0.44 -0.55 0.00 0.00 176.35 174.95 3mw9 s SER 62 N -2.30 2.36 0.05 1.48 0.01 -1.26 -1.52 113.70 112.52 3mw9 s SER 62 Ca 0.02 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.90 3mw9 s SER 62 Cb -0.03 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 3mw9 s SER 62 CO -0.01 0.05 -0.10 0.72 0.41 0.00 0.00 173.24 174.31 3mw9 s PHE 63 N 0.77 0.83 0.27 2.43 -0.12 -0.88 -4.97 117.98 116.30 3mw9 s PHE 63 Ca -0.11 -0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 56.00 3mw9 s PHE 63 Cb -0.16 -0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 41.66 3mw9 s PHE 63 CO 0.02 -0.04 0.95 -1.25 -0.05 0.00 0.00 175.22 174.84 3mw9 s PRO 64 N -1.60 4.76 -0.04 1.99 0.04 -1.26 -1.65 135.00 137.24 3mw9 s PRO 64 Ca -0.07 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3mw9 s PRO 64 Cb -0.10 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.34 3mw9 s PRO 64 CO 0.01 0.43 -0.07 0.42 0.04 0.00 0.00 177.00 177.83 3mw9 s ILE 65 N -1.33 0.69 -0.36 0.56 -1.09 0.90 -4.96 121.20 115.61 3mw9 s ILE 65 Ca 0.44 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 58.42 3mw9 s ILE 65 Cb -0.24 -0.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.99 3mw9 s ILE 65 CO 0.29 0.24 0.55 -0.60 -1.23 0.00 0.00 174.94 174.20 3mw9 s ARG 66 N 0.58 3.60 0.86 2.79 3.52 -1.26 0.15 118.95 129.19 3mw9 s ARG 66 Ca -0.09 -0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 3mw9 s ARG 66 Cb -0.12 -3.82 0.11 0.00 -1.56 0.00 0.00 34.95 29.56 3mw9 s ARG 66 CO 0.01 -0.70 1.10 1.03 -0.81 0.00 0.00 175.30 175.93 3mw9 s ARG 67 N 2.49 1.48 0.31 5.12 1.81 0.20 -4.87 118.95 125.50 3mw9 s ARG 67 Ca 0.20 1.18 0.01 0.00 -1.72 0.00 0.00 55.73 55.40 3mw9 s ARG 67 Cb -0.15 -1.81 0.56 0.00 -0.45 0.00 0.00 34.95 33.10 3mw9 s ARG 67 CO 0.14 -2.19 1.94 -0.44 -0.68 0.00 0.00 175.30 174.07 3mw9 h ASP 68 N -1.53 0.86 0.30 0.23 3.45 -1.97 0.12 116.42 117.87 3mw9 h ASP 68 Ca -0.46 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 3mw9 h ASP 68 Cb 1.26 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 3mw9 h ASP 68 CO 0.49 0.57 0.00 -0.90 -1.57 0.00 0.00 179.24 177.83 3mw9 n ASP 69 N -4.47 0.00 0.00 6.45 3.85 -1.26 -4.87 116.55 116.25 3mw9 n ASP 69 Ca 0.12 0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.21 3mw9 n ASP 69 Cb 0.16 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 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 0.14 0.45 3.78 6.12 0.00 0.41 -5.07 105.19 111.03 3mw9 n GLY 70 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.38 7.35 -0.02 1.61 1.04 -1.26 -4.70 113.70 115.34 3mw9 s SER 71 Ca 0.00 1.78 -0.24 0.00 0.48 0.00 0.00 55.95 57.97 3mw9 s SER 71 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3mw9 s SER 71 CO 0.00 0.00 0.74 0.26 0.98 0.00 0.00 173.24 175.22 3mw9 s TRP 72 N -1.50 3.65 0.11 5.02 0.52 -1.26 -0.62 118.94 124.85 3mw9 s TRP 72 Ca 0.47 1.36 0.10 0.00 0.02 0.00 0.00 56.10 58.04 3mw9 s TRP 72 Cb -0.20 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 3mw9 s TRP 72 CO 0.25 0.16 -0.25 -2.00 0.02 0.00 0.00 176.95 175.13 3mw9 s GLU 73 N 0.45 1.37 -0.20 4.98 2.12 0.12 -4.96 118.70 122.58 3mw9 s GLU 73 Ca 0.39 -1.24 -0.05 0.00 0.36 0.00 0.00 54.97 54.43 3mw9 s GLU 73 Cb -0.19 -1.73 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 3mw9 s GLU 73 CO 0.21 0.42 0.01 0.08 -0.54 0.00 0.00 175.26 175.43 3mw9 s VAL 74 N -1.04 4.03 0.05 3.70 1.01 -1.26 -0.07 120.40 126.82 3mw9 s VAL 74 Ca 0.11 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3mw9 s VAL 74 Cb -0.10 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3mw9 s VAL 74 CO 0.05 0.43 -0.19 0.27 0.00 0.00 0.00 175.10 175.65 3mw9 s ILE 75 N 0.97 2.72 0.01 2.22 -0.00 -0.66 -4.96 121.20 121.49 3mw9 s ILE 75 Ca 0.02 -1.26 0.04 0.00 -0.00 0.00 0.00 60.65 59.44 3mw9 s ILE 75 Cb -0.14 -2.15 -0.03 0.00 -0.00 0.00 0.00 42.46 40.13 3mw9 s ILE 75 CO 0.02 0.30 -0.08 -1.83 -0.00 0.00 0.00 174.94 173.35 3mw9 s GLU 76 N -1.52 2.50 0.25 0.37 -1.05 -1.26 -2.08 118.70 115.91 3mw9 s GLU 76 Ca 0.15 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 3mw9 s GLU 76 Cb -0.10 -2.46 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 3mw9 s GLU 76 CO 0.06 0.60 0.22 0.20 0.95 0.00 0.00 175.26 177.28 3mw9 s GLY 77 N -1.41 1.70 -0.08 -3.83 0.00 -0.57 -1.65 107.32 101.47 3mw9 s GLY 77 Ca 0.17 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.95 3mw9 s GLY 77 CO 0.07 -1.36 0.39 -0.19 0.00 0.00 0.00 173.10 172.01 3mw9 s TYR 78 N -3.85 -0.35 -0.02 1.90 1.51 0.39 -1.94 117.35 114.98 3mw9 s TYR 78 Ca 0.38 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 3mw9 s TYR 78 Cb 0.05 0.16 0.03 0.00 -0.11 0.00 0.00 41.96 42.08 3mw9 s TYR 78 CO 0.18 -0.34 0.01 0.50 -1.11 0.00 0.00 175.55 174.79 3mw9 s ARG 79 N -0.63 0.17 -0.09 -0.62 3.52 -0.31 -0.70 118.95 120.29 3mw9 s ARG 79 Ca -0.07 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3mw9 s ARG 79 Cb -0.04 -0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 32.97 3mw9 s ARG 79 CO 0.03 -0.13 -0.12 0.00 -0.81 0.00 0.00 175.30 174.27 3mw9 s ALA 80 N 0.92 2.72 -0.29 6.12 0.00 0.19 -0.93 121.76 130.50 3mw9 s ALA 80 Ca -0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3mw9 s ALA 80 Cb -0.12 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.90 3mw9 s ALA 80 CO -0.02 0.42 0.01 -0.65 0.00 0.00 0.00 175.76 175.52 3mw9 s GLN 81 N -0.27 2.65 -0.12 0.00 -0.21 0.18 -1.77 119.66 120.11 3mw9 s GLN 81 Ca 0.02 -1.12 -0.10 0.00 0.02 0.00 0.00 55.36 54.18 3mw9 s GLN 81 Cb -0.13 -3.18 -0.08 0.00 1.00 0.00 0.00 33.01 30.62 3mw9 s GLN 81 CO 0.03 -0.54 0.17 1.25 -2.12 0.00 0.00 175.29 174.08 3mw9 h HIS 82 N 8.06 0.00 -3.97 0.91 -0.00 -1.49 -1.31 115.15 117.35 3mw9 h HIS 82 Ca -0.26 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 59.77 3mw9 h HIS 82 Cb 1.08 0.00 -0.25 0.00 -0.00 0.00 0.00 27.41 28.24 3mw9 h HIS 82 CO 0.60 0.34 -0.76 0.45 -0.00 0.00 0.00 177.93 178.57 3mw9 s SER 83 N -5.83 0.95 0.00 3.26 0.15 -1.23 -2.13 113.70 108.87 3mw9 s SER 83 Ca -0.09 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.33 3mw9 s SER 83 Cb -0.00 -0.05 0.26 0.00 -1.71 0.00 0.00 66.02 64.53 3mw9 s SER 83 CO 0.24 -0.03 1.20 0.00 1.20 0.00 0.00 173.24 175.85 3mw9 n GLN 84 N 2.23 2.69 0.30 5.44 3.00 -1.26 -3.81 117.38 125.96 3mw9 n GLN 84 Ca -0.17 -1.93 0.17 0.00 -0.01 0.00 0.00 57.00 55.06 3mw9 n GLN 84 Cb 0.56 -1.24 0.90 0.00 0.00 0.00 0.00 30.24 30.46 3mw9 n GLN 84 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 3mw9 h HIS 85 N 1.85 0.00 -3.95 1.08 2.07 -1.97 -3.38 115.15 110.84 3mw9 h HIS 85 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3mw9 h HIS 85 Cb 0.69 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 30.43 3mw9 h HIS 85 CO 0.19 0.00 -0.74 1.03 -3.07 0.00 0.00 177.93 175.34 3mw9 s ARG 86 N -3.97 0.54 0.01 5.12 1.81 -1.26 -5.00 118.95 116.20 3mw9 s ARG 86 Ca -0.04 -0.62 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 3mw9 s ARG 86 Cb 0.10 -0.39 -0.01 0.00 -0.45 0.00 0.00 34.95 34.20 3mw9 s ARG 86 CO 0.30 0.08 -0.05 0.95 -0.68 0.00 0.00 175.30 175.90 3mw9 s THR 87 N -1.01 0.39 1.08 0.02 -4.23 -1.26 -2.27 115.64 108.35 3mw9 s THR 87 Ca -0.06 -0.47 -0.15 0.00 -1.18 0.00 0.00 61.69 59.84 3mw9 s THR 87 Cb -0.08 -0.38 0.23 0.00 1.34 0.00 0.00 72.50 73.61 3mw9 s THR 87 CO 0.00 -0.06 1.09 -2.16 -0.54 0.00 0.00 174.62 172.96 3mw9 s PRO 88 N -0.58 -0.21 0.52 3.99 0.04 -1.26 -4.85 135.00 132.66 3mw9 s PRO 88 Ca -0.02 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.17 3mw9 s PRO 88 Cb -0.04 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 3mw9 s PRO 88 CO -0.00 -3.12 1.00 0.00 0.04 0.00 0.00 177.00 174.92 3mw9 s LYS 90 N -3.97 0.27 -0.08 0.00 2.47 0.80 -0.94 119.74 118.29 3mw9 s LYS 90 Ca 0.60 0.68 -0.32 0.00 -1.56 0.00 0.00 55.97 55.37 3mw9 s LYS 90 Cb -0.11 -0.05 0.14 0.00 -1.46 0.00 0.00 37.83 36.34 3mw9 s LYS 90 CO 0.31 -0.18 1.36 0.20 0.16 0.00 0.00 175.35 177.19 3mw9 s GLY 91 N 1.51 -0.44 0.82 5.54 0.00 -1.20 -2.05 107.32 111.51 3mw9 s GLY 91 Ca -0.08 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 3mw9 s GLY 91 CO -0.10 0.20 1.18 -0.32 0.00 0.00 0.00 173.10 174.05 3mw9 s GLY 92 N -2.89 1.66 -0.17 0.20 0.00 -1.26 -2.74 107.32 102.12 3mw9 s GLY 92 Ca 0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 44.01 3mw9 s GLY 92 CO -0.05 -0.32 -0.15 -0.42 0.00 0.00 0.00 173.10 172.16 3mw9 s ILE 93 N -3.57 2.57 -0.22 0.90 1.01 0.31 -0.80 121.20 121.40 3mw9 s ILE 93 Ca 0.64 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 3mw9 s ILE 93 Cb -0.09 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3mw9 s ILE 93 CO 0.49 0.51 -0.01 -0.60 0.00 0.00 0.00 174.94 175.32 3mw9 s ARG 94 N 1.10 3.49 -0.34 2.79 3.52 -0.50 -3.24 118.95 125.77 3mw9 s ARG 94 Ca 0.00 -0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 54.87 3mw9 s ARG 94 Cb -0.14 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 3mw9 s ARG 94 CO -0.05 -0.13 0.40 0.71 -0.81 0.00 0.00 175.30 175.42 3mw9 s TYR 95 N 1.35 3.20 -0.20 5.12 2.02 -0.52 -1.19 117.35 127.14 3mw9 s TYR 95 Ca 0.04 0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.47 3mw9 s TYR 95 Cb -0.15 -2.73 0.14 0.00 -0.40 0.00 0.00 41.96 38.83 3mw9 s TYR 95 CO -0.00 -0.46 1.07 0.45 -1.57 0.00 0.00 175.55 175.04 3mw9 s SER 96 N 1.74 -0.32 0.00 2.29 0.15 -0.87 -4.53 113.70 112.15 3mw9 s SER 96 Ca 0.13 0.40 0.22 0.00 0.70 0.00 0.00 55.95 57.40 3mw9 s SER 96 Cb -0.16 0.33 1.24 0.00 -1.71 0.00 0.00 66.02 65.72 3mw9 s SER 96 CO 0.12 -0.26 1.68 0.35 1.20 0.00 0.00 173.24 176.32 3mw9 n THR 97 N 0.92 0.09 0.25 6.45 -2.24 -1.16 -2.73 114.28 115.85 3mw9 n THR 97 Ca -0.09 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3mw9 n THR 97 Cb 0.58 -0.68 0.27 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.07 3.25 -4.75 3.42 10.43 -1.26 -4.93 116.55 121.64 3mw9 n ASP 98 Ca 0.15 -1.97 -0.40 0.00 2.57 0.00 0.00 54.79 55.14 3mw9 n ASP 98 Cb 0.10 -0.32 -0.05 0.00 1.84 0.00 0.00 41.12 42.69 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 -1.36 3.79 0.20 2.53 -7.23 -1.11 -4.93 120.40 112.29 3mw9 s VAL 99 Ca 0.40 1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 62.36 3mw9 s VAL 99 Cb 0.22 -4.15 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 3mw9 s VAL 99 CO 0.30 0.43 0.14 -0.94 -0.31 0.00 0.00 175.10 174.72 3mw9 s SER 100 N -1.01 0.16 0.35 4.85 1.04 -1.26 -4.90 113.70 112.93 3mw9 s SER 100 Ca 0.43 -1.38 0.06 0.00 0.48 0.00 0.00 55.95 55.54 3mw9 s SER 100 Cb -0.29 0.39 0.66 0.00 0.10 0.00 0.00 66.02 66.88 3mw9 s SER 100 CO 0.36 -0.85 1.87 1.62 0.98 0.00 0.00 173.24 177.22 3mw9 h VAL 101 N 2.60 1.20 -0.27 5.02 3.04 -1.98 -0.75 116.25 125.11 3mw9 h VAL 101 Ca -0.35 -0.84 -0.09 0.00 -1.01 0.00 0.00 66.70 64.40 3mw9 h VAL 101 Cb 1.25 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 3mw9 h VAL 101 CO 0.52 0.28 -0.17 0.44 -1.01 0.00 0.00 177.57 177.63 3mw9 h ASP 102 N 0.38 0.62 -0.71 3.17 3.32 -1.99 0.13 116.42 121.33 3mw9 h ASP 102 Ca 0.08 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 3mw9 h ASP 102 Cb 0.39 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3mw9 h ASP 102 CO 0.02 0.91 0.33 -0.08 -1.72 0.00 0.00 179.24 178.70 3mw9 h GLU 103 N 0.32 1.04 -0.22 3.56 4.81 -1.84 -1.47 114.58 120.78 3mw9 h GLU 103 Ca 0.06 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 3mw9 h GLU 103 Cb 0.70 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3mw9 h GLU 103 CO 0.05 0.83 -0.01 0.28 -0.73 0.00 0.00 179.01 179.43 3mw9 h VAL 104 N 1.00 1.26 -0.62 0.32 2.07 -0.96 -2.03 116.25 117.29 3mw9 h VAL 104 Ca 0.24 -0.92 0.13 0.00 0.82 0.00 0.00 66.70 66.97 3mw9 h VAL 104 Cb 0.15 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 3mw9 h VAL 104 CO -0.03 0.28 0.08 0.11 0.02 0.00 0.00 177.57 178.03 3mw9 h LYS 105 N 0.16 0.19 -0.31 1.57 1.57 -0.65 -1.46 116.57 117.65 3mw9 h LYS 105 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mw9 h LYS 105 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3mw9 h LYS 105 CO 0.01 0.13 0.20 0.00 -0.57 0.00 0.00 179.45 179.22 3mw9 h ALA 106 N 1.53 0.39 -0.31 3.86 0.00 -0.97 -2.46 119.26 121.30 3mw9 h ALA 106 Ca 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3mw9 h ALA 106 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mw9 h ALA 106 CO -0.47 -0.14 -0.09 -0.07 0.00 0.00 0.00 179.25 178.47 3mw9 h LEU 107 N 0.41 0.49 -0.87 0.00 -0.00 -1.19 -1.75 115.31 112.41 3mw9 h LEU 107 Ca 0.11 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 3mw9 h LEU 107 Cb -0.04 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 3mw9 h LEU 107 CO -0.02 0.63 -0.04 0.00 -0.00 0.00 0.00 178.44 179.01 3mw9 h ALA 108 N 1.43 1.06 0.05 1.53 0.00 -0.89 -0.86 119.26 121.57 3mw9 h ALA 108 Ca 0.09 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 3mw9 h ALA 108 Cb 0.46 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3mw9 h ALA 108 CO 0.02 0.59 -1.07 0.66 0.00 0.00 0.00 179.25 179.45 3mw9 h SER 109 N 0.74 0.59 -0.63 0.00 4.64 -1.20 -2.19 113.55 115.50 3mw9 h SER 109 Ca 0.14 -0.52 0.08 0.00 -0.47 0.00 0.00 61.79 61.02 3mw9 h SER 109 Cb 0.50 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 3mw9 h SER 109 CO 0.03 1.34 0.42 -0.07 -0.87 0.00 0.00 176.83 177.68 3mw9 h LEU 110 N 0.21 0.48 -0.26 5.97 3.38 -1.07 -2.03 115.31 121.99 3mw9 h LEU 110 Ca -0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3mw9 h LEU 110 Cb 1.74 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3mw9 h LEU 110 CO 0.19 0.30 0.00 0.24 0.09 0.00 0.00 178.44 179.26 3mw9 h MET 111 N 0.54 0.47 -0.66 1.13 2.86 -0.56 -0.16 114.93 118.55 3mw9 h MET 111 Ca 0.28 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3mw9 h MET 111 Cb 0.40 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3mw9 h MET 111 CO -0.09 0.63 0.09 0.00 1.06 0.00 0.00 176.91 178.60 3mw9 h THR 112 N 0.25 1.26 -0.26 2.22 1.03 -0.93 -0.42 112.91 116.06 3mw9 h THR 112 Ca 0.08 -1.06 -0.14 0.00 -0.01 0.00 0.00 66.41 65.27 3mw9 h THR 112 Cb 0.42 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 3mw9 h THR 112 CO 0.01 0.40 -0.43 1.88 -0.01 0.00 0.00 175.52 177.37 3mw9 h TYR 113 N 1.02 0.77 0.34 0.00 0.99 -1.46 -2.65 116.97 115.98 3mw9 h TYR 113 Ca 0.20 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3mw9 h TYR 113 Cb 0.47 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 38.01 3mw9 h TYR 113 CO 0.03 0.96 -0.39 -0.22 -0.00 0.00 0.00 178.16 178.55 3mw9 h LYS 114 N 0.52 -0.74 -0.90 4.88 3.64 -0.69 -1.46 116.57 121.81 3mw9 h LYS 114 Ca 0.04 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.62 3mw9 h LYS 114 Cb 0.96 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 3mw9 h LYS 114 CO 0.09 -0.50 0.50 0.00 -2.27 0.00 0.00 179.45 177.27 3mw9 h ALA 116 N 1.57 -0.26 -0.75 0.00 0.00 -1.14 0.59 119.26 119.28 3mw9 h ALA 116 Ca 0.49 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.51 3mw9 h ALA 116 Cb 0.69 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 3mw9 h ALA 116 CO -0.35 -0.64 -0.03 0.28 0.00 0.00 0.00 179.25 178.51 3mw9 h VAL 117 N -0.27 0.33 -0.24 0.00 2.07 -0.96 -1.57 116.25 115.60 3mw9 h VAL 117 Ca -0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3mw9 h VAL 117 Cb 0.21 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3mw9 h VAL 117 CO 0.04 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.98 3mw9 n VAL 118 N -5.37 0.31 -2.28 2.57 0.24 -1.10 -4.79 118.33 107.91 3mw9 n VAL 118 Ca 0.13 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 3mw9 n VAL 118 Cb 0.46 0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.54 -3.53 -4.55 -1.34 8.00 -0.19 -4.98 116.55 110.50 3mw9 n ASP 119 Ca 0.16 -0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 3mw9 n ASP 119 Cb 0.37 -2.71 -0.09 0.00 -0.02 0.00 0.00 41.12 38.66 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 -2.58 5.17 -0.75 2.53 1.01 0.03 -4.99 120.40 120.81 3mw9 s VAL 120 Ca 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3mw9 s VAL 120 Cb -0.01 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3mw9 s VAL 120 CO 0.03 -0.07 2.14 -0.81 0.00 0.00 0.00 175.10 176.40 3mw9 n PRO 121 N 5.39 1.91 -4.45 2.72 -0.04 -1.26 -4.45 135.00 134.81 3mw9 n PRO 121 Ca -0.09 -1.29 -0.20 0.00 -0.04 0.00 0.00 63.50 61.88 3mw9 n PRO 121 Cb 0.49 -2.33 -0.14 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.11 1.06 0.59 0.54 2.99 -1.26 -4.30 117.98 120.71 3mw9 s PHE 122 Ca 0.39 -0.24 -0.14 0.00 0.00 0.00 0.00 56.93 56.94 3mw9 s PHE 122 Cb 0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 43.02 42.43 3mw9 s PHE 122 CO -0.03 -0.01 1.03 0.20 -0.00 0.00 0.00 175.22 176.41 3mw9 s GLY 123 N -0.52 1.90 0.38 4.36 0.00 -0.85 -4.77 107.32 107.83 3mw9 s GLY 123 Ca 0.03 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.70 3mw9 s GLY 123 CO -0.00 0.43 0.87 -0.32 0.00 0.00 0.00 173.10 174.08 3mw9 s GLY 124 N -3.43 2.41 0.23 0.20 0.00 -1.25 -0.14 107.32 105.34 3mw9 s GLY 124 Ca 0.59 0.29 -0.21 0.00 0.00 0.00 0.00 44.72 45.38 3mw9 s GLY 124 CO 0.43 0.56 0.66 0.00 0.00 0.00 0.00 173.10 174.74 3mw9 s ALA 125 N -2.06 -1.29 -0.05 3.20 0.00 -0.87 -1.41 121.76 119.28 3mw9 s ALA 125 Ca 0.58 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3mw9 s ALA 125 Cb -0.10 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.96 3mw9 s ALA 125 CO 0.15 -0.93 0.69 0.21 0.00 0.00 0.00 175.76 175.89 3mw9 s LYS 126 N -3.86 1.04 0.22 0.00 2.47 -0.73 -3.21 119.74 115.67 3mw9 s LYS 126 Ca 0.08 0.25 0.08 0.00 -1.56 0.00 0.00 55.97 54.81 3mw9 s LYS 126 Cb -0.04 0.49 -0.05 0.00 -1.46 0.00 0.00 37.83 36.78 3mw9 s LYS 126 CO -0.00 -0.33 -0.13 0.00 0.16 0.00 0.00 175.35 175.05 3mw9 s ALA 127 N -1.21 2.09 -0.07 3.13 0.00 0.02 -0.63 121.76 125.09 3mw9 s ALA 127 Ca -0.11 -1.70 -0.10 0.00 0.00 0.00 0.00 51.96 50.05 3mw9 s ALA 127 Cb -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3mw9 s ALA 127 CO 0.09 0.06 0.27 0.20 0.00 0.00 0.00 175.76 176.38 3mw9 s GLY 128 N -3.34 -0.16 -0.09 0.00 0.00 0.12 -1.41 107.32 102.43 3mw9 s GLY 128 Ca 0.24 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.54 3mw9 s GLY 128 CO 0.08 0.42 -0.14 0.14 0.00 0.00 0.00 173.10 173.60 3mw9 s VAL 129 N -0.38 1.36 -1.26 1.40 1.01 -0.33 -0.46 120.40 121.73 3mw9 s VAL 129 Ca -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3mw9 s VAL 129 Cb -0.03 -1.24 0.18 0.00 0.00 0.00 0.00 36.38 35.28 3mw9 s VAL 129 CO 0.01 0.41 1.78 1.17 0.00 0.00 0.00 175.10 178.47 3mw9 n LYS 130 N 4.03 3.62 -4.13 2.72 4.81 -0.66 -2.06 118.16 126.49 3mw9 n LYS 130 Ca -0.20 -3.63 -0.09 0.00 -0.87 0.00 0.00 58.31 53.52 3mw9 n LYS 130 Cb 0.51 -2.92 -0.10 0.00 0.02 0.00 0.00 35.03 32.54 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 0.42 0.46 -0.39 3.15 -4.36 -1.23 -4.70 121.20 114.55 3mw9 s ILE 131 Ca 0.40 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 3mw9 s ILE 131 Cb 0.07 -1.60 0.03 0.00 1.25 0.00 0.00 42.46 42.21 3mw9 s ILE 131 CO 0.01 -0.94 0.25 0.21 0.24 0.00 0.00 174.94 174.71 3mw9 s ASN 132 N -2.98 5.85 0.16 4.36 3.04 -1.26 -2.31 114.94 121.80 3mw9 s ASN 132 Ca 0.09 -1.05 0.17 0.00 0.04 0.00 0.00 52.86 52.12 3mw9 s ASN 132 Cb 0.07 -2.07 0.77 0.00 -1.54 0.00 0.00 41.25 38.49 3mw9 s ASN 132 CO -0.07 -0.44 1.53 -2.65 -3.04 0.00 0.00 177.10 172.43 3mw9 n PRO 133 N 5.05 0.10 0.15 0.43 -0.02 -1.26 -1.14 135.00 138.31 3mw9 n PRO 133 Ca -0.11 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 3mw9 n PRO 133 Cb 0.46 -1.73 0.51 0.00 -0.02 0.00 0.00 33.50 32.72 3mw9 n PRO 133 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mw9 h LYS 134 N 0.00 0.00 -0.58 -0.52 1.57 -1.99 -2.94 116.57 112.10 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 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 -2.40 5.64 -4.05 0.86 3.02 -0.30 -4.94 115.26 113.10 3mw9 n ASN 135 Ca 0.02 -2.89 -0.18 0.00 -0.03 0.00 0.00 54.58 51.51 3mw9 n ASN 135 Cb 0.27 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 38.62 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 -2.68 0.84 0.72 3.10 1.51 -1.11 -5.07 117.35 114.65 3mw9 s TYR 136 Ca 0.54 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 56.23 3mw9 s TYR 136 Cb 0.41 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.77 3mw9 s TYR 136 CO 0.17 -0.01 1.09 0.95 -1.11 0.00 0.00 175.55 176.64 3mw9 s THR 137 N -0.55 3.37 0.34 -0.71 -4.23 -1.26 -4.85 115.64 107.75 3mw9 s THR 137 Ca 0.01 0.52 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 3mw9 s THR 137 Cb -0.05 -3.04 0.31 0.00 1.34 0.00 0.00 72.50 71.05 3mw9 s THR 137 CO 0.00 -0.50 1.87 0.44 -0.54 0.00 0.00 174.62 175.88 3mw9 h ASP 138 N -0.59 0.73 -0.73 3.99 3.32 -1.99 -0.25 116.42 120.90 3mw9 h ASP 138 Ca -0.45 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.68 3mw9 h ASP 138 Cb 1.23 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 3mw9 h ASP 138 CO 0.53 0.38 0.45 -1.13 -1.72 0.00 0.00 179.24 177.75 3mw9 h ASN 139 N 0.78 0.73 -0.19 6.45 -1.24 -1.99 -1.03 115.58 119.08 3mw9 h ASN 139 Ca 0.45 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.39 3mw9 h ASN 139 Cb 0.63 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 3mw9 h ASN 139 CO -0.21 0.49 -0.19 -0.33 -1.29 0.00 0.00 177.43 175.90 3mw9 h GLU 140 N 0.86 0.47 -0.61 6.67 5.08 -1.47 -1.61 114.58 123.97 3mw9 h GLU 140 Ca 0.30 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3mw9 h GLU 140 Cb 0.06 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3mw9 h GLU 140 CO -0.13 0.82 0.31 -0.07 -1.00 0.00 0.00 179.01 178.94 3mw9 h LEU 141 N 0.14 0.43 -0.65 1.33 3.38 -1.06 0.33 115.31 119.21 3mw9 h LEU 141 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3mw9 h LEU 141 Cb 0.73 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3mw9 h LEU 141 CO 0.05 0.28 0.37 -0.08 0.09 0.00 0.00 178.44 179.14 3mw9 h GLU 142 N 0.57 0.91 -0.60 1.13 4.81 -1.06 -0.45 114.58 119.89 3mw9 h GLU 142 Ca 0.28 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3mw9 h GLU 142 Cb 0.22 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3mw9 h GLU 142 CO -0.20 0.68 0.38 0.87 -0.73 0.00 0.00 179.01 180.00 3mw9 h LYS 143 N 0.89 0.74 0.15 1.92 1.57 -0.62 -2.32 116.57 118.90 3mw9 h LYS 143 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3mw9 h LYS 143 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3mw9 h LYS 143 CO -0.04 0.49 -0.07 0.82 -0.57 0.00 0.00 179.45 180.07 3mw9 h ILE 144 N 0.76 0.96 0.00 1.86 2.04 -0.23 -0.98 117.51 121.91 3mw9 h ILE 144 Ca 0.23 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3mw9 h ILE 144 Cb -0.03 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3mw9 h ILE 144 CO -0.08 0.12 -0.12 0.71 0.00 0.00 0.00 178.15 178.79 3mw9 h THR 145 N -0.47 0.32 0.21 -0.27 1.35 -1.09 -0.05 112.91 112.91 3mw9 h THR 145 Ca -0.02 -0.81 -0.30 0.00 -0.55 0.00 0.00 66.41 64.73 3mw9 h THR 145 Cb 0.36 1.62 0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3mw9 h THR 145 CO 0.03 0.12 -1.30 0.03 -0.25 0.00 0.00 175.52 174.16 3mw9 h ARG 146 N 0.00 0.50 -0.43 4.72 3.08 -1.23 -2.17 114.38 118.86 3mw9 h ARG 146 Ca -0.00 -0.83 -0.03 0.00 0.07 0.00 0.00 59.98 59.19 3mw9 h ARG 146 Cb 0.61 0.30 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3mw9 h ARG 146 CO 0.02 1.39 0.15 -0.09 -1.07 0.00 0.00 179.97 180.37 3mw9 h ARG 147 N 0.05 0.66 -0.76 0.04 9.65 -0.94 -2.14 114.38 120.94 3mw9 h ARG 147 Ca -0.22 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.56 3mw9 h ARG 147 Cb 2.01 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 30.45 3mw9 h ARG 147 CO 0.24 0.63 0.50 0.35 2.80 0.00 0.00 179.97 184.49 3mw9 h PHE 148 N 0.56 0.90 -0.57 2.20 3.57 -1.03 -1.59 116.94 120.98 3mw9 h PHE 148 Ca 0.14 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 3mw9 h PHE 148 Cb 0.23 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3mw9 h PHE 148 CO 0.01 0.53 -0.01 1.15 -2.23 0.00 0.00 178.31 177.76 3mw9 h THR 149 N 0.94 1.27 -0.55 4.41 2.02 -0.99 -2.27 112.91 117.75 3mw9 h THR 149 Ca 0.30 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3mw9 h THR 149 Cb 0.02 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3mw9 h THR 149 CO -0.08 0.41 0.32 0.24 0.37 0.00 0.00 175.52 176.79 3mw9 h MET 150 N 0.91 0.75 -0.16 6.66 2.86 -0.66 -1.56 114.93 123.73 3mw9 h MET 150 Ca 0.16 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.53 3mw9 h MET 150 Cb 0.57 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.08 3mw9 h MET 150 CO 0.03 0.55 -0.67 0.93 1.06 0.00 0.00 176.91 178.81 3mw9 h GLU 151 N 0.74 0.73 -0.31 1.72 4.39 -1.20 -0.70 114.58 119.95 3mw9 h GLU 151 Ca 0.20 -0.58 0.07 0.00 0.34 0.00 0.00 59.36 59.38 3mw9 h GLU 151 Cb -0.00 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 3mw9 h GLU 151 CO -0.04 1.19 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.81 3mw9 h LEU 152 N 0.44 -0.42 -0.48 1.33 3.38 -1.43 -3.09 115.31 115.04 3mw9 h LEU 152 Ca -0.04 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3mw9 h LEU 152 Cb 1.30 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 3mw9 h LEU 152 CO 0.14 -0.16 0.23 0.00 0.09 0.00 0.00 178.44 178.74 3mw9 h ALA 153 N 1.20 0.62 -0.91 1.53 0.00 -0.96 -0.12 119.26 120.62 3mw9 h ALA 153 Ca 0.16 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.13 3mw9 h ALA 153 Cb 0.30 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3mw9 h ALA 153 CO -0.35 0.18 0.59 0.87 0.00 0.00 0.00 179.25 180.54 3mw9 h LYS 154 N 0.63 0.50 -0.39 0.00 1.57 -1.06 -2.42 116.57 115.40 3mw9 h LYS 154 Ca 0.16 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3mw9 h LYS 154 Cb 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3mw9 h LYS 154 CO -0.02 0.33 0.01 1.63 -0.57 0.00 0.00 179.45 180.84 3mw9 n LYS 155 N -4.55 3.57 -2.62 3.15 4.76 -0.90 -4.96 118.16 116.61 3mw9 n LYS 155 Ca 0.19 -2.98 -0.11 0.00 -2.87 0.00 0.00 58.31 52.54 3mw9 n LYS 155 Cb 0.62 -2.01 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 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 -0.15 0.09 0.72 0.72 0.00 -0.91 -4.94 105.19 100.71 3mw9 n GLY 156 Ca 0.25 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.86 0.66 -3.65 1.61 3.01 -0.11 -4.89 117.46 110.23 3mw9 n PHE 157 Ca -0.06 -0.69 -0.15 0.00 1.01 0.00 0.00 57.45 57.56 3mw9 n PHE 157 Cb 0.56 -0.17 -0.08 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.92 0.01 0.00 4.37 2.07 -1.26 -4.81 121.20 119.67 3mw9 s ILE 158 Ca 0.32 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3mw9 s ILE 158 Cb 0.23 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3mw9 s ILE 158 CO 0.12 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3mw9 n GLY 159 N 1.80 4.01 0.36 1.50 0.00 0.09 -4.71 105.19 108.23 3mw9 n GLY 159 Ca -0.17 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.00 1.61 0.11 -1.80 -0.19 132.00 131.72 3mw9 h PRO 160 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3mw9 h PRO 160 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3mw9 h PRO 160 CO 0.00 0.00 -1.87 0.41 -0.21 0.00 0.00 178.00 176.33 3mw9 n GLY 161 N -1.41 -0.81 0.42 -0.55 0.00 -1.26 -4.70 105.19 96.88 3mw9 n GLY 161 Ca 0.04 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.21 1.06 -3.56 1.61 0.31 -0.96 -4.13 118.33 110.45 3mw9 n VAL 162 Ca -0.08 -0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.00 3mw9 n VAL 162 Cb 0.57 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 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 -6.66 -1.03 -0.37 4.52 3.68 -0.12 0.40 116.67 117.09 3mw9 s ASP 163 Ca -0.26 1.35 0.03 0.00 2.13 0.00 0.00 52.55 55.80 3mw9 s ASP 163 Cb 0.10 2.13 0.11 0.00 -1.45 0.00 0.00 42.92 43.80 3mw9 s ASP 163 CO 0.33 -0.23 0.10 -0.69 0.13 0.00 0.00 175.17 174.81 3mw9 s VAL 164 N 2.85 2.46 0.34 1.11 1.01 -0.12 -0.73 120.40 127.32 3mw9 s VAL 164 Ca -0.01 -2.44 -0.06 0.00 0.00 0.00 0.00 61.98 59.48 3mw9 s VAL 164 Cb -0.13 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.56 3mw9 s VAL 164 CO -0.18 -0.64 0.31 -2.65 0.00 0.00 0.00 175.10 171.94 3mw9 n PRO 165 N 4.14 -1.56 -3.68 2.72 -0.02 -1.25 -3.50 135.00 131.85 3mw9 n PRO 165 Ca 0.03 -0.50 0.01 0.00 -2.02 0.00 0.00 63.50 61.03 3mw9 n PRO 165 Cb 0.41 -0.46 -0.00 0.00 -0.02 0.00 0.00 33.50 33.43 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 -3.04 -2.24 0.88 3.55 0.00 -1.11 -1.39 121.76 118.41 3mw9 s ALA 166 Ca 0.20 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 3mw9 s ALA 166 Cb -0.02 0.45 0.12 0.00 0.00 0.00 0.00 23.12 23.67 3mw9 s ALA 166 CO 0.15 -1.07 1.09 -1.25 0.00 0.00 0.00 175.76 174.69 3mw9 s PRO 167 N -2.39 1.43 0.00 0.00 0.04 -1.26 -0.53 135.00 132.30 3mw9 s PRO 167 Ca 0.16 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3mw9 s PRO 167 Cb 0.04 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3mw9 s PRO 167 CO -0.03 -2.11 0.00 -3.47 0.04 0.00 0.00 177.00 171.43 3mw9 n ASP 168 N -3.78 1.05 -4.68 6.66 -0.08 -1.20 -4.29 116.55 110.24 3mw9 n ASP 168 Ca 0.07 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.93 3mw9 n ASP 168 Cb 0.56 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 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 2.91 4.18 -0.94 -0.67 -1.94 -1.26 -2.41 119.30 119.16 3mw9 s MET 169 Ca 0.00 2.39 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 3mw9 s MET 169 Cb 0.00 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.06 3mw9 s MET 169 CO 0.00 -0.81 0.00 0.43 -0.01 0.00 0.00 175.02 174.63 3mw9 n SER 170 N 6.28 -4.08 -4.11 3.03 7.64 -1.26 -1.43 113.62 119.68 3mw9 n SER 170 Ca 0.17 0.22 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 3mw9 n SER 170 Cb 0.41 -2.37 -0.11 0.00 -1.01 0.00 0.00 64.21 61.13 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 -2.33 0.69 0.00 0.44 -4.23 -1.01 -4.69 115.64 104.51 3mw9 s THR 171 Ca 0.00 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3mw9 s THR 171 Cb 0.00 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.87 3mw9 s THR 171 CO 0.00 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3mw9 n GLY 172 N 1.02 3.40 0.27 3.99 0.00 -1.26 -3.88 105.19 108.72 3mw9 n GLY 172 Ca -0.20 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.06 0.10 1.61 1.02 -1.25 -1.97 120.64 120.08 3mw9 n GLU 173 Ca 0.00 1.15 -0.13 0.00 -0.02 0.00 0.00 57.16 58.16 3mw9 n GLU 173 Cb 0.00 -1.92 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 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 -0.23 -0.38 3.49 2.43 -1.96 0.32 114.38 118.06 3mw9 h ARG 174 Ca 0.56 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.60 3mw9 h ARG 174 Cb 1.30 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3mw9 h ARG 174 CO -0.69 0.07 -0.32 1.05 -1.51 0.00 0.00 179.97 178.57 3mw9 h GLU 175 N -0.52 0.85 -0.89 0.20 9.09 -1.80 -2.00 114.58 119.52 3mw9 h GLU 175 Ca -0.02 -0.41 0.13 0.00 0.05 0.00 0.00 59.36 59.10 3mw9 h GLU 175 Cb 0.40 -0.01 -0.09 0.00 -1.65 0.00 0.00 28.75 27.41 3mw9 h GLU 175 CO 0.04 1.05 0.51 0.52 0.05 0.00 0.00 179.01 181.18 3mw9 h MET 176 N 0.72 0.76 -0.72 1.06 2.86 -1.33 -0.12 114.93 118.15 3mw9 h MET 176 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3mw9 h MET 176 Cb 0.88 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3mw9 h MET 176 CO 0.08 0.50 0.32 1.03 1.06 0.00 0.00 176.91 179.90 3mw9 h SER 177 N 0.78 0.97 -0.71 1.22 0.87 -0.42 -1.47 113.55 114.79 3mw9 h SER 177 Ca 0.46 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 3mw9 h SER 177 Cb 0.53 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3mw9 h SER 177 CO -0.30 0.85 0.22 -0.50 -0.53 0.00 0.00 176.83 176.57 3mw9 h TRP 178 N 1.02 1.14 -0.20 2.24 6.55 -0.39 -2.24 115.95 124.07 3mw9 h TRP 178 Ca 0.25 -0.12 -0.01 0.00 0.95 0.00 0.00 58.89 59.96 3mw9 h TRP 178 Cb 0.16 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 3mw9 h TRP 178 CO 0.01 0.91 0.10 0.82 -1.05 0.00 0.00 178.44 179.23 3mw9 h ILE 179 N 1.04 1.13 -0.13 1.49 2.04 -0.76 -2.10 117.51 120.23 3mw9 h ILE 179 Ca 0.23 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3mw9 h ILE 179 Cb 0.30 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3mw9 h ILE 179 CO -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 178.15 177.98 3mw9 h ALA 180 N 0.96 1.29 0.04 1.87 0.00 -1.18 -1.12 119.26 121.11 3mw9 h ALA 180 Ca 0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 3mw9 h ALA 180 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mw9 h ALA 180 CO -0.01 0.49 -1.05 0.22 0.00 0.00 0.00 179.25 178.90 3mw9 h ASP 181 N 0.21 0.15 0.75 0.00 3.58 -1.31 -1.65 116.42 118.14 3mw9 h ASP 181 Ca 0.03 -0.15 -0.25 0.00 0.42 0.00 0.00 57.03 57.08 3mw9 h ASP 181 Cb 0.62 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 3mw9 h ASP 181 CO 0.04 1.09 -1.13 0.00 -2.88 0.00 0.00 179.24 176.37 3mw9 h THR 182 N 0.03 1.57 0.87 2.25 1.03 -1.24 -2.48 112.91 114.94 3mw9 h THR 182 Ca -0.05 -3.14 -0.04 0.00 -0.01 0.00 0.00 66.41 63.16 3mw9 h THR 182 Cb 1.78 2.87 0.01 0.00 -1.07 0.00 0.00 68.15 71.74 3mw9 h THR 182 CO 0.15 0.91 -0.42 0.22 -0.01 0.00 0.00 175.52 176.37 3mw9 h TYR 183 N 0.05 -1.08 -0.21 0.00 3.20 -1.28 -2.90 116.97 114.75 3mw9 h TYR 183 Ca -0.08 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.82 3mw9 h TYR 183 Cb 1.86 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 40.48 3mw9 h TYR 183 CO 0.04 -0.67 0.17 0.00 -1.64 0.00 0.00 178.16 176.06 3mw9 h ALA 184 N -1.19 2.09 0.00 1.82 0.00 -1.41 -0.62 119.26 119.94 3mw9 h ALA 184 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mw9 h ALA 184 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mw9 h ALA 184 CO 0.20 -0.28 -0.24 0.43 0.00 0.00 0.00 179.25 179.35 3mw9 n SER 185 N -4.27 0.49 0.00 0.00 7.64 -0.93 -3.09 113.62 113.46 3mw9 n SER 185 Ca 0.02 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3mw9 n SER 185 Cb 0.31 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.86 0.00 -0.31 0.44 -1.04 -0.78 -4.72 114.28 106.01 3mw9 n THR 186 Ca 0.05 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.24 3mw9 n THR 186 Cb 0.39 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.65 -0.57 12.58 1.08 -1.74 -2.58 117.51 126.92 3mw9 h ILE 187 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 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 0.10 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 3mw9 n GLY 188 N -1.42 1.98 0.37 5.37 0.00 -0.31 -4.55 105.19 106.63 3mw9 n GLY 188 Ca 0.23 -0.66 0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 3.41 0.00 -0.01 1.61 6.17 -1.39 -1.36 115.15 123.59 3mw9 h HIS 189 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3mw9 h HIS 189 Cb 0.99 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.92 3mw9 h HIS 189 CO 0.50 0.00 -0.25 0.66 0.71 0.00 0.00 177.93 179.56 3mw9 n TYR 190 N -3.85 0.00 -2.96 5.26 4.02 -1.26 -4.97 117.16 113.39 3mw9 n TYR 190 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.54 3mw9 n TYR 190 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.58 6.71 0.64 7.72 -1.08 -0.51 -4.93 116.67 123.64 3mw9 s ASP 191 Ca 0.11 0.82 0.37 0.00 -0.52 0.00 0.00 52.55 53.34 3mw9 s ASP 191 Cb 0.11 -2.40 2.06 0.00 -1.46 0.00 0.00 42.92 41.23 3mw9 s ASP 191 CO 0.31 -0.51 2.23 -0.29 0.52 0.00 0.00 175.17 177.43 3mw9 h ILE 192 N 5.48 0.17 -0.33 4.11 2.10 -1.93 -1.97 117.51 125.15 3mw9 h ILE 192 Ca -0.24 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.65 3mw9 h ILE 192 Cb 1.10 0.91 -0.03 0.00 -1.09 0.00 0.00 36.82 37.71 3mw9 h ILE 192 CO 0.85 0.00 0.01 0.59 -1.08 0.00 0.00 178.15 178.53 3mw9 n ASN 193 N -3.30 3.80 -0.34 2.19 3.02 -1.26 -4.76 115.26 114.60 3mw9 n ASN 193 Ca -0.02 -3.16 0.15 0.00 -0.03 0.00 0.00 54.58 51.52 3mw9 n ASN 193 Cb 0.17 -0.58 0.36 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.80 1.77 0.00 5.41 0.00 -1.62 0.75 119.26 127.37 3mw9 h ALA 194 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mw9 h ALA 194 Cb 1.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3mw9 h ALA 194 CO 0.30 -0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.11 3mw9 n HIS 195 N -4.77 0.01 0.81 0.00 8.25 -1.26 -1.79 115.22 116.47 3mw9 n HIS 195 Ca 0.24 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.74 3mw9 n HIS 195 Cb 0.64 -0.51 0.13 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.50 2.67 0.40 -1.41 0.00 0.26 -4.15 120.51 116.77 3mw9 n ALA 196 Ca 0.04 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 53.03 3mw9 n ALA 196 Cb 0.22 -1.00 0.47 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.28 0.00 0.33 0.00 0.11 -1.26 -3.77 120.40 112.53 3mw9 s VAL 198 Ca 0.04 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 3mw9 s VAL 198 Cb 0.09 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 3mw9 s VAL 198 CO 0.36 0.00 0.07 0.42 -3.33 0.00 0.00 175.10 172.62 3mw9 s THR 199 N -2.57 1.09 0.00 5.04 -4.23 -0.49 -4.74 115.64 109.75 3mw9 s THR 199 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3mw9 s THR 199 Cb -0.01 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3mw9 s THR 199 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3mw9 n GLY 200 N -0.70 0.59 3.83 3.99 0.00 -1.26 -4.11 105.19 107.53 3mw9 n GLY 200 Ca -0.03 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.42 3.37 0.89 1.61 1.02 -1.26 -3.90 119.74 119.05 3mw9 s LYS 201 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.90 3mw9 s LYS 201 Cb 0.00 -2.05 0.13 0.00 -0.52 0.00 0.00 37.83 35.39 3mw9 s LYS 201 CO 0.00 -0.76 1.10 -2.14 -0.92 0.00 0.00 175.35 172.64 3mw9 s PRO 202 N -4.52 1.27 0.29 -1.68 0.02 -1.26 -3.82 135.00 125.29 3mw9 s PRO 202 Ca 0.60 1.18 0.02 0.00 0.02 0.00 0.00 61.00 62.81 3mw9 s PRO 202 Cb -0.13 -1.78 0.44 0.00 0.02 0.00 0.00 34.50 33.04 3mw9 s PRO 202 CO 0.44 -2.34 1.77 0.82 -0.33 0.00 0.00 177.00 177.36 3mw9 h ILE 203 N -1.64 1.24 0.00 2.83 1.08 -1.92 0.12 117.51 119.22 3mw9 h ILE 203 Ca -0.47 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 3mw9 h ILE 203 Cb 1.27 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3mw9 h ILE 203 CO 0.49 0.35 0.00 0.77 -0.69 0.00 0.00 178.15 179.07 3mw9 h SER 204 N 0.53 0.00 -0.46 1.72 4.64 -1.91 -2.84 113.55 115.23 3mw9 h SER 204 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3mw9 h SER 204 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3mw9 h SER 204 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3mw9 n GLN 205 N -2.74 2.85 0.00 4.77 1.13 -0.91 -4.92 117.38 117.56 3mw9 n GLN 205 Ca -0.00 -2.25 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 3mw9 n GLN 205 Cb 0.18 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 0.83 0.96 3.42 1.08 0.00 -1.07 -4.89 105.19 105.52 3mw9 n GLY 206 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.91 1.49 0.05 -0.02 0.00 0.37 -4.78 107.32 103.52 3mw9 s GLY 207 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.34 3mw9 s GLY 207 CO 0.00 0.39 -0.20 -1.50 0.00 0.00 0.00 173.10 171.79 3mw9 s ILE 208 N -2.42 1.60 -0.34 0.90 2.07 -1.26 -4.68 121.20 117.06 3mw9 s ILE 208 Ca 0.69 -1.24 -0.41 0.00 -1.41 0.00 0.00 60.65 58.27 3mw9 s ILE 208 Cb -0.20 -1.41 -0.16 0.00 0.13 0.00 0.00 42.46 40.82 3mw9 s ILE 208 CO 0.62 0.12 1.77 1.57 -1.91 0.00 0.00 174.94 177.11 3mw9 n HIS 209 N 1.70 1.92 -0.82 3.50 -0.00 -1.26 -2.22 115.22 118.03 3mw9 n HIS 209 Ca -0.18 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 3mw9 n HIS 209 Cb 0.54 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 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 4.53 0.69 0.35 1.57 0.00 -1.26 -4.90 105.19 106.17 3mw9 n GLY 210 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 2.09 1.23 -0.84 1.61 9.65 -1.83 0.23 114.38 126.52 3mw9 h ARG 211 Ca 0.00 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3mw9 h ARG 211 Cb 0.00 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.29 3mw9 h ARG 211 CO 0.00 0.89 0.56 0.97 2.80 0.00 0.00 179.97 185.19 3mw9 h ILE 212 N 1.23 1.21 -0.01 1.20 2.10 -1.91 -1.84 117.51 119.49 3mw9 h ILE 212 Ca 0.31 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3mw9 h ILE 212 Cb 0.01 -0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.72 3mw9 h ILE 212 CO -0.05 0.21 -0.33 -1.54 -1.08 0.00 0.00 178.15 175.36 3mw9 n SER 213 N -4.41 1.53 -0.15 2.19 3.41 -1.05 -4.61 113.62 110.53 3mw9 n SER 213 Ca 0.10 -1.22 -0.06 0.00 -0.26 0.00 0.00 58.87 57.43 3mw9 n SER 213 Cb 0.03 0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.84 -0.02 0.00 7.33 0.00 0.35 0.22 119.26 130.98 3mw9 h ALA 214 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3mw9 h ALA 214 Cb 0.63 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3mw9 h ALA 214 CO 0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 179.25 178.26 3mw9 h THR 215 N -0.18 1.07 -0.51 0.00 1.03 -1.78 0.05 112.91 112.60 3mw9 h THR 215 Ca 0.21 -1.24 -0.04 0.00 -0.01 0.00 0.00 66.41 65.33 3mw9 h THR 215 Cb 0.52 1.70 -0.02 0.00 -1.07 0.00 0.00 68.15 69.27 3mw9 h THR 215 CO -0.58 0.33 0.15 1.23 -0.01 0.00 0.00 175.52 176.64 3mw9 h GLY 216 N 1.30 0.87 1.65 2.99 0.00 -1.40 -2.04 103.07 106.44 3mw9 h GLY 216 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 3mw9 h GLY 216 CO 0.04 0.49 -0.23 -0.09 0.00 0.00 0.00 176.54 176.75 3mw9 h ARG 217 N 0.71 0.41 0.02 4.80 2.43 0.82 -1.87 114.38 121.69 3mw9 h ARG 217 Ca 0.16 -0.14 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 3mw9 h ARG 217 Cb 0.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3mw9 h ARG 217 CO -0.00 0.63 -0.97 0.78 -1.51 0.00 0.00 179.97 178.90 3mw9 h GLY 218 N 0.99 0.11 1.48 2.80 0.00 -1.18 -2.38 103.07 104.89 3mw9 h GLY 218 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3mw9 h GLY 218 CO 0.04 0.20 0.24 -2.08 0.00 0.00 0.00 176.54 174.95 3mw9 h VAL 219 N 0.04 1.16 0.74 4.60 2.07 -0.88 0.25 116.25 124.23 3mw9 h VAL 219 Ca -0.04 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3mw9 h VAL 219 Cb 1.66 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3mw9 h VAL 219 CO 0.14 0.19 -0.36 0.15 0.02 0.00 0.00 177.57 177.71 3mw9 h PHE 220 N 0.69 -0.93 -0.37 1.57 3.57 -1.23 -2.66 116.94 117.58 3mw9 h PHE 220 Ca 0.17 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3mw9 h PHE 220 Cb 0.06 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3mw9 h PHE 220 CO 0.00 -0.58 0.12 0.45 -2.23 0.00 0.00 178.31 176.08 3mw9 h HIS 221 N -0.99 0.52 0.79 0.41 3.86 -0.88 0.77 115.15 119.63 3mw9 h HIS 221 Ca -0.10 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3mw9 h HIS 221 Cb 0.76 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3mw9 h HIS 221 CO -0.03 0.43 -0.44 0.78 0.86 0.00 0.00 177.93 179.53 3mw9 h GLY 222 N 0.71 -1.24 0.20 2.45 0.00 -0.52 -1.77 103.07 102.90 3mw9 h GLY 222 Ca 0.13 0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.97 3mw9 h GLY 222 CO -0.01 -0.43 -0.45 -2.22 0.00 0.00 0.00 176.54 173.43 3mw9 h ILE 223 N -1.15 0.11 -0.99 2.60 2.04 -1.12 -2.50 117.51 116.50 3mw9 h ILE 223 Ca -0.11 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.02 3mw9 h ILE 223 Cb 0.91 0.11 -0.19 0.00 -0.74 0.00 0.00 36.82 36.91 3mw9 h ILE 223 CO 0.13 0.00 -0.00 1.21 0.00 0.00 0.00 178.15 179.49 3mw9 n GLU 224 N -5.47 -0.08 -0.01 2.37 2.13 0.23 0.35 120.64 120.17 3mw9 n GLU 224 Ca -0.07 1.50 -0.00 0.00 0.66 0.00 0.00 57.16 59.24 3mw9 n GLU 224 Cb 0.39 -2.36 0.29 0.00 0.27 0.00 0.00 31.44 30.03 3mw9 n GLU 224 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3mw9 h ASN 225 N 0.00 0.51 0.11 4.31 2.35 -0.86 -3.14 115.58 118.85 3mw9 h ASN 225 Ca 0.59 -0.09 -0.36 0.00 -0.55 0.00 0.00 56.30 55.89 3mw9 h ASN 225 Cb 1.20 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3mw9 h ASN 225 CO -0.94 0.57 -2.02 0.49 -1.65 0.00 0.00 177.43 173.87 3mw9 n PHE 226 N -4.28 1.11 0.14 1.19 3.01 0.23 -4.14 117.46 114.72 3mw9 n PHE 226 Ca 0.02 0.24 0.01 0.00 1.01 0.00 0.00 57.45 58.73 3mw9 n PHE 226 Cb 0.24 -1.14 0.08 0.00 -0.01 0.00 0.00 39.48 38.64 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 -3.50 0.99 -2.90 4.37 0.13 0.16 -2.87 119.36 115.74 3mw9 n ILE 227 Ca -0.34 0.25 -0.16 0.00 -1.10 0.00 0.00 62.75 61.41 3mw9 n ILE 227 Cb 1.03 -1.20 -0.00 0.00 -0.84 0.00 0.00 39.64 38.62 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 -1.28 1.67 -3.21 9.51 5.15 -1.19 -2.76 115.26 123.16 3mw9 n ASN 228 Ca 0.01 -2.99 0.01 0.00 -0.60 0.00 0.00 54.58 51.01 3mw9 n ASN 228 Cb 0.02 -0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.70 3mw9 n ASN 228 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3mw9 s GLU 229 N -2.89 0.80 0.30 1.20 2.56 -1.14 -4.92 118.70 114.62 3mw9 s GLU 229 Ca 0.36 -0.21 0.05 0.00 0.00 0.00 0.00 54.97 55.17 3mw9 s GLU 229 Cb 0.39 0.11 0.80 0.00 2.00 0.00 0.00 34.13 37.43 3mw9 s GLU 229 CO -0.04 -1.18 1.66 0.00 -0.56 0.00 0.00 175.26 175.13 3mw9 h ALA 230 N 7.07 1.46 -0.91 6.30 0.00 -1.92 0.10 119.26 131.37 3mw9 h ALA 230 Ca 0.05 0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.28 3mw9 h ALA 230 Cb 1.18 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 3mw9 h ALA 230 CO 0.10 -0.47 0.58 0.66 0.00 0.00 0.00 179.25 180.13 3mw9 h SER 231 N 0.26 0.77 0.72 0.00 4.64 -1.96 0.18 113.55 118.16 3mw9 h SER 231 Ca 0.60 0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.69 3mw9 h SER 231 Cb 1.23 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3mw9 h SER 231 CO -0.63 0.43 -1.38 1.88 -0.87 0.00 0.00 176.83 176.26 3mw9 h TYR 232 N 0.84 0.03 0.00 4.77 0.05 -1.16 -3.32 116.97 118.17 3mw9 h TYR 232 Ca 0.44 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 59.11 3mw9 h TYR 232 Cb 0.52 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3mw9 h TYR 232 CO -0.00 1.03 -0.42 0.52 -1.05 0.00 0.00 178.16 178.24 3mw9 h MET 233 N 0.00 0.00 0.45 4.88 2.86 -0.55 -3.17 114.93 119.40 3mw9 h MET 233 Ca -0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3mw9 h MET 233 Cb 1.90 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.55 3mw9 h MET 233 CO 0.11 0.42 -0.39 0.77 1.06 0.00 0.00 176.91 178.87 3mw9 h SER 234 N 0.00 -1.06 0.00 1.22 0.02 -0.79 0.38 113.55 113.33 3mw9 h SER 234 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3mw9 h SER 234 Cb 1.10 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3mw9 h SER 234 CO 0.05 -0.54 0.22 0.40 -1.14 0.00 0.00 176.83 175.83 3mw9 h ILE 235 N -0.83 0.00 0.00 3.27 1.08 -1.65 0.35 117.51 119.73 3mw9 h ILE 235 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3mw9 h ILE 235 Cb 0.70 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3mw9 h ILE 235 CO -0.01 0.00 -0.82 0.18 -0.69 0.00 0.00 178.15 176.80 3mw9 n LEU 236 N -2.53 0.79 -3.28 1.44 4.77 -1.10 -4.98 117.00 112.10 3mw9 n LEU 236 Ca -0.02 -0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 3mw9 n LEU 236 Cb 0.26 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3mw9 n LEU 236 CO 0.11 0.20 0.07 0.61 -1.33 0.00 0.00 177.39 177.05 3mw9 n GLY 237 N 1.40 -1.16 3.07 -0.72 0.00 0.12 -5.04 105.19 102.86 3mw9 n GLY 237 Ca 0.03 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.34 0.56 -0.14 1.61 1.00 -0.00 -5.04 119.30 112.96 3mw9 s MET 238 Ca 0.37 -1.11 -0.19 0.00 0.00 0.00 0.00 55.69 54.76 3mw9 s MET 238 Cb -0.06 0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.93 3mw9 s MET 238 CO 0.76 -0.10 0.54 -0.08 0.00 0.00 0.00 175.02 176.14 3mw9 s THR 239 N -3.48 5.13 0.57 2.05 -1.32 -1.26 -4.45 115.64 112.87 3mw9 s THR 239 Ca 0.03 1.06 -0.19 0.00 -1.21 0.00 0.00 61.69 61.38 3mw9 s THR 239 Cb 0.05 -3.87 -0.07 0.00 -1.51 0.00 0.00 72.50 67.09 3mw9 s THR 239 CO -0.08 0.25 0.71 -2.65 -2.21 0.00 0.00 174.62 170.64 3mw9 n PRO 240 N 4.11 0.69 0.00 7.08 -0.02 -1.26 -4.87 135.00 140.74 3mw9 n PRO 240 Ca -0.05 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3mw9 n PRO 240 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.57 1.53 0.03 -1.23 0.00 -1.11 -4.82 105.19 101.16 3mw9 n GLY 241 Ca 0.12 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.22 3mw9 n GLY 241 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mw9 n PHE 242 N 1.32 0.25 -0.29 1.61 3.72 -1.26 -4.69 117.46 118.12 3mw9 n PHE 242 Ca 0.00 0.07 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 3mw9 n PHE 242 Cb 0.00 -0.54 0.16 0.00 -0.94 0.00 0.00 39.48 38.16 3mw9 n PHE 242 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mw9 n GLY 243 N 1.29 -1.27 0.81 1.37 0.00 -1.26 -0.61 105.19 105.52 3mw9 n GLY 243 Ca -0.01 0.84 0.08 0.00 0.00 0.00 0.00 46.02 46.93 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 -5.27 2.94 -4.85 1.61 5.68 -1.26 -4.74 116.55 110.67 3mw9 n ASP 244 Ca 0.15 -1.87 -0.32 0.00 -0.50 0.00 0.00 54.79 52.25 3mw9 n ASP 244 Cb 0.48 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.21 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 -1.14 3.98 0.04 0.11 3.01 0.22 -4.99 119.74 120.98 3mw9 s LYS 245 Ca 0.28 0.81 0.06 0.00 -1.01 0.00 0.00 55.97 56.10 3mw9 s LYS 245 Cb 0.16 -2.28 -0.02 0.00 -1.01 0.00 0.00 37.83 34.68 3mw9 s LYS 245 CO 0.22 -0.06 -0.16 -0.08 0.51 0.00 0.00 175.35 175.78 3mw9 s THR 246 N -2.32 1.28 0.13 2.17 -1.32 -1.26 -1.73 115.64 112.59 3mw9 s THR 246 Ca 0.57 -1.05 -0.15 0.00 -1.21 0.00 0.00 61.69 59.85 3mw9 s THR 246 Cb -0.10 -1.14 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 3mw9 s THR 246 CO 0.24 0.07 0.38 0.72 -2.21 0.00 0.00 174.62 173.82 3mw9 s PHE 247 N -0.83 -0.09 0.02 9.09 -0.12 0.30 -1.72 117.98 124.63 3mw9 s PHE 247 Ca 0.03 -0.25 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3mw9 s PHE 247 Cb -0.08 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 3mw9 s PHE 247 CO 0.01 -0.72 -0.12 0.54 -0.05 0.00 0.00 175.22 174.89 3mw9 s VAL 248 N -3.84 0.92 -0.07 -2.49 0.11 -0.64 -1.29 120.40 113.12 3mw9 s VAL 248 Ca 0.05 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.35 3mw9 s VAL 248 Cb 0.02 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3mw9 s VAL 248 CO -0.09 0.03 -0.24 0.54 -3.33 0.00 0.00 175.10 172.01 3mw9 s VAL 249 N -0.70 2.15 -0.32 2.04 0.11 -0.64 -0.73 120.40 122.31 3mw9 s VAL 249 Ca 0.01 -1.02 -0.13 0.00 -2.93 0.00 0.00 61.98 57.90 3mw9 s VAL 249 Cb -0.07 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3mw9 s VAL 249 CO 0.01 0.57 0.29 -1.58 -3.33 0.00 0.00 175.10 171.05 3mw9 s GLN 250 N -0.08 3.67 0.00 1.54 0.74 -0.67 -1.57 119.66 123.29 3mw9 s GLN 250 Ca -0.06 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.93 3mw9 s GLN 250 Cb -0.14 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.21 3mw9 s GLN 250 CO 0.04 -0.40 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 3mw9 n GLY 251 N 5.00 1.01 2.12 2.59 0.00 0.18 0.42 105.19 116.51 3mw9 n GLY 251 Ca -0.11 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 2.56 2.00 -0.30 1.61 7.35 -1.26 -4.11 117.46 125.31 3mw9 n PHE 252 Ca 0.00 -2.08 0.00 0.00 -0.76 0.00 0.00 57.45 54.61 3mw9 n PHE 252 Cb 0.00 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.67 1.45 0.31 7.13 0.00 -1.26 -4.36 105.19 107.79 3mw9 n GLY 253 Ca 0.30 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 0.95 0.16 1.61 -0.26 -1.94 -1.49 115.58 114.60 3mw9 h ASN 254 Ca 0.00 -0.11 -0.24 0.00 -0.56 0.00 0.00 56.30 55.39 3mw9 h ASN 254 Cb 0.00 -0.24 0.02 0.00 -1.06 0.00 0.00 38.32 37.04 3mw9 h ASN 254 CO 0.00 0.79 -1.10 1.62 -1.06 0.00 0.00 177.43 177.68 3mw9 h VAL 255 N 1.04 1.35 0.28 2.81 3.04 -1.90 -3.29 116.25 119.58 3mw9 h VAL 255 Ca 0.26 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 3mw9 h VAL 255 Cb 0.06 3.06 -0.03 0.00 -2.01 0.00 0.00 31.29 32.38 3mw9 h VAL 255 CO -0.04 0.74 -0.33 1.23 -1.01 0.00 0.00 177.57 178.16 3mw9 h GLY 256 N -0.15 -0.73 -0.36 3.17 0.00 -1.71 -2.23 103.07 101.07 3mw9 h GLY 256 Ca -0.20 0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.57 3mw9 h GLY 256 CO 0.16 -0.27 -0.48 -2.00 0.00 0.00 0.00 176.54 173.94 3mw9 h LEU 257 N -0.66 -1.61 -0.56 3.11 5.85 -1.44 -1.79 115.31 118.21 3mw9 h LEU 257 Ca -0.01 0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3mw9 h LEU 257 Cb 0.62 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3mw9 h LEU 257 CO -0.09 -0.38 -0.57 0.45 -0.34 0.00 0.00 178.44 177.50 3mw9 h HIS 258 N -0.35 0.00 0.38 1.25 3.86 -1.61 -0.88 115.15 117.80 3mw9 h HIS 258 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3mw9 h HIS 258 Cb 0.59 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3mw9 h HIS 258 CO -0.67 0.57 -0.32 0.77 0.86 0.00 0.00 177.93 179.13 3mw9 h SER 259 N 0.00 -0.86 -0.51 2.45 0.02 -1.11 -1.68 113.55 111.86 3mw9 h SER 259 Ca -0.01 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 3mw9 h SER 259 Cb 1.19 0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.91 3mw9 h SER 259 CO 0.07 -0.47 -0.27 -0.03 -1.14 0.00 0.00 176.83 174.99 3mw9 h MET 260 N -0.71 -0.15 -0.57 3.45 -1.53 -0.92 -1.35 114.93 113.16 3mw9 h MET 260 Ca -0.03 0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.36 3mw9 h MET 260 Cb 0.63 0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 31.61 3mw9 h MET 260 CO -0.03 -0.10 -0.07 0.00 0.14 0.00 0.00 176.91 176.86 3mw9 h ARG 261 N -0.15 0.06 -0.04 0.39 3.08 -0.97 -1.01 114.38 115.73 3mw9 h ARG 261 Ca 0.22 -0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.09 3mw9 h ARG 261 Cb 0.51 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3mw9 h ARG 261 CO -0.60 0.04 -0.69 1.88 -1.07 0.00 0.00 179.97 179.53 3mw9 h TYR 262 N 0.06 0.77 0.04 3.04 0.99 -0.37 -1.41 116.97 120.09 3mw9 h TYR 262 Ca 0.28 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3mw9 h TYR 262 Cb 0.45 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 3mw9 h TYR 262 CO -0.40 1.21 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.85 3mw9 h LEU 263 N 0.12 -0.11 -0.49 3.88 3.38 -1.27 -2.50 115.31 118.31 3mw9 h LEU 263 Ca -0.08 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.01 3mw9 h LEU 263 Cb 1.37 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 3mw9 h LEU 263 CO 0.14 -0.07 -0.20 -0.74 0.09 0.00 0.00 178.44 177.66 3mw9 h HIS 264 N -0.09 -0.51 -0.79 1.13 2.76 -1.15 0.13 115.15 116.62 3mw9 h HIS 264 Ca 0.01 0.05 0.23 0.00 -2.20 0.00 0.00 60.37 58.46 3mw9 h HIS 264 Cb 0.09 0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3mw9 h HIS 264 CO -0.10 -0.29 0.58 -0.09 -1.30 0.00 0.00 177.93 176.73 3mw9 h ARG 265 N -0.10 0.00 -0.53 5.26 2.43 -0.83 -1.34 114.38 119.28 3mw9 h ARG 265 Ca 0.23 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3mw9 h ARG 265 Cb 0.45 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 3mw9 h ARG 265 CO -0.55 0.00 0.11 1.19 -1.51 0.00 0.00 179.97 179.20 3mw9 n PHE 266 N -4.25 1.82 -0.09 2.20 3.01 0.41 -4.93 117.46 115.63 3mw9 n PHE 266 Ca 0.16 -1.07 0.00 0.00 1.01 0.00 0.00 57.45 57.55 3mw9 n PHE 266 Cb 0.87 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.22 0.64 3.72 1.37 0.00 -0.50 -4.36 105.19 105.84 3mw9 n GLY 267 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.31 1.66 -0.12 4.61 0.00 -1.00 -4.58 121.76 120.03 3mw9 s ALA 268 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3mw9 s ALA 268 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3mw9 s ALA 268 CO 0.00 -2.27 -0.10 0.21 0.00 0.00 0.00 175.76 173.61 3mw9 s LYS 269 N -4.90 1.74 -0.36 0.00 2.20 -0.71 -4.26 119.74 113.44 3mw9 s LYS 269 Ca 0.63 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.69 3mw9 s LYS 269 Cb -0.18 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 3mw9 s LYS 269 CO 0.57 -0.23 0.63 0.00 -0.36 0.00 0.00 175.35 175.96 3mw9 n ILE 271 N 5.58 0.76 -3.77 0.00 -5.35 -0.41 -0.26 119.36 115.91 3mw9 n ILE 271 Ca -0.01 -0.62 -0.09 0.00 -0.27 0.00 0.00 62.75 61.76 3mw9 n ILE 271 Cb 0.49 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.94 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 -3.15 0.01 -0.10 7.28 -4.23 -1.25 -0.60 115.64 113.60 3mw9 s THR 272 Ca -0.04 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3mw9 s THR 272 Cb 0.10 -1.75 0.05 0.00 1.34 0.00 0.00 72.50 72.23 3mw9 s THR 272 CO 0.83 -0.03 0.22 -0.69 -0.54 0.00 0.00 174.62 174.40 3mw9 s VAL 273 N -3.89 -0.11 0.15 2.29 1.01 -0.89 -1.63 120.40 117.33 3mw9 s VAL 273 Ca 0.10 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.36 3mw9 s VAL 273 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3mw9 s VAL 273 CO 0.01 0.08 -0.12 -0.83 0.00 0.00 0.00 175.10 174.24 3mw9 s GLY 274 N 1.49 1.73 0.26 4.51 0.00 -0.61 -0.71 107.32 113.99 3mw9 s GLY 274 Ca -0.07 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.28 3mw9 s GLY 274 CO -0.08 -1.42 0.18 1.18 0.00 0.00 0.00 173.10 172.96 3mw9 n GLU 275 N 0.32 0.41 0.25 2.90 -0.58 0.46 -0.65 120.64 123.75 3mw9 n GLU 275 Ca -0.12 -2.44 0.14 0.00 -0.42 0.00 0.00 57.16 54.31 3mw9 n GLU 275 Cb 0.54 1.80 0.58 0.00 -0.57 0.00 0.00 31.44 33.79 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 1.39 0.00 0.25 1.62 4.64 -2.01 -3.19 113.55 116.25 3mw9 h SER 276 Ca -0.19 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.98 3mw9 h SER 276 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 3mw9 h SER 276 CO 0.28 0.11 -1.90 -0.90 -0.87 0.00 0.00 176.83 173.55 3mw9 n ASP 277 N -3.26 0.28 0.00 4.97 5.68 -1.26 -5.08 116.55 117.88 3mw9 n ASP 277 Ca 0.00 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 3mw9 n ASP 277 Cb 0.36 1.12 0.00 0.00 -1.14 0.00 0.00 41.12 41.46 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 1.44 -1.61 3.30 6.12 0.00 -1.21 -5.11 105.19 108.11 3mw9 n GLY 278 Ca -0.14 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.30 2.31 0.11 1.61 0.01 -1.26 -0.41 113.70 113.78 3mw9 s SER 279 Ca 0.00 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.42 3mw9 s SER 279 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 3mw9 s SER 279 CO 0.00 -0.15 -0.19 0.27 0.41 0.00 0.00 173.24 173.58 3mw9 s ILE 280 N -2.52 1.59 -0.04 1.44 -4.36 0.11 -0.38 121.20 117.03 3mw9 s ILE 280 Ca 0.16 -1.57 -0.07 0.00 -0.26 0.00 0.00 60.65 58.90 3mw9 s ILE 280 Cb -0.03 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.19 3mw9 s ILE 280 CO 0.05 -0.16 0.18 0.86 0.24 0.00 0.00 174.94 176.11 3mw9 s TRP 281 N -1.40 -0.12 -0.30 1.37 -0.00 -0.76 -2.10 118.94 115.63 3mw9 s TRP 281 Ca 0.06 0.28 -0.13 0.00 -0.00 0.00 0.00 56.10 56.31 3mw9 s TRP 281 Cb -0.09 0.03 0.18 0.00 -0.00 0.00 0.00 33.47 33.59 3mw9 s TRP 281 CO 0.04 -0.18 1.06 1.21 -0.00 0.00 0.00 176.95 179.09 3mw9 s ASN 282 N -0.48 -0.40 0.33 5.86 3.04 0.24 -1.87 114.94 121.64 3mw9 s ASN 282 Ca -0.06 0.14 0.24 0.00 0.04 0.00 0.00 52.86 53.22 3mw9 s ASN 282 Cb -0.04 1.29 1.18 0.00 -1.54 0.00 0.00 41.25 42.15 3mw9 s ASN 282 CO 0.01 -0.07 1.73 -0.65 -3.04 0.00 0.00 177.10 175.07 3mw9 h PRO 283 N 7.62 0.00 0.00 0.43 0.11 -1.93 -1.26 132.00 136.97 3mw9 h PRO 283 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3mw9 h PRO 283 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mw9 h PRO 283 CO -0.11 0.00 -0.45 -0.25 -0.21 0.00 0.00 178.00 176.98 3mw9 n ASP 284 N -2.32 0.55 0.00 -2.05 8.00 -1.26 -4.93 116.55 114.53 3mw9 n ASP 284 Ca -0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3mw9 n ASP 284 Cb 0.11 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3mw9 n ASP 284 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mw9 n GLY 285 N 1.41 3.32 3.37 0.44 0.00 -0.48 -5.00 105.19 108.26 3mw9 n GLY 285 Ca 0.05 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.59 3.08 -0.03 -0.61 1.01 0.64 -4.94 121.20 118.77 3mw9 s ILE 286 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3mw9 s ILE 286 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3mw9 s ILE 286 CO 0.00 0.52 0.77 -0.62 0.00 0.00 0.00 174.94 175.61 3mw9 s ASP 287 N 0.36 7.11 0.38 3.58 -1.08 -1.26 -4.56 116.67 121.21 3mw9 s ASP 287 Ca -0.11 1.34 0.20 0.00 -0.52 0.00 0.00 52.55 53.46 3mw9 s ASP 287 Cb -0.16 -2.45 0.67 0.00 -1.46 0.00 0.00 42.92 39.52 3mw9 s ASP 287 CO 0.05 -0.11 1.72 -0.65 0.52 0.00 0.00 175.17 176.71 3mw9 h PRO 288 N 6.49 0.00 0.14 4.34 0.11 -1.97 -2.37 132.00 138.75 3mw9 h PRO 288 Ca -0.42 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.40 3mw9 h PRO 288 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3mw9 h PRO 288 CO 0.74 0.34 -1.36 -0.22 -0.21 0.00 0.00 178.00 177.29 3mw9 h LYS 289 N 0.00 0.30 -0.31 1.05 1.63 -1.99 -2.12 116.57 115.13 3mw9 h LYS 289 Ca -0.00 -0.52 -0.12 0.00 -0.85 0.00 0.00 60.65 59.16 3mw9 h LYS 289 Cb 0.92 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3mw9 h LYS 289 CO 0.04 1.22 -0.28 0.93 -3.45 0.00 0.00 179.45 177.91 3mw9 h GLU 290 N 0.08 0.74 -0.75 1.90 5.08 -1.97 -2.42 114.58 117.24 3mw9 h GLU 290 Ca -0.18 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 3mw9 h GLU 290 Cb 2.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 3mw9 h GLU 290 CO 0.20 1.00 0.29 1.25 -1.00 0.00 0.00 179.01 180.75 3mw9 h LEU 291 N 0.50 1.05 0.16 1.33 6.46 -1.48 0.42 115.31 123.75 3mw9 h LEU 291 Ca 0.05 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 3mw9 h LEU 291 Cb 0.85 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3mw9 h LEU 291 CO 0.07 0.94 -0.08 -0.08 -0.62 0.00 0.00 178.44 178.68 3mw9 h GLU 292 N 1.09 -0.21 -0.56 1.25 4.81 -1.39 0.71 114.58 120.28 3mw9 h GLU 292 Ca 0.25 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.59 3mw9 h GLU 292 Cb 0.23 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 3mw9 h GLU 292 CO -0.02 -0.03 0.15 -0.44 -0.73 0.00 0.00 179.01 177.94 3mw9 h ASP 293 N -0.35 0.08 0.27 1.04 3.45 -1.24 0.22 116.42 119.88 3mw9 h ASP 293 Ca -0.02 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3mw9 h ASP 293 Cb 0.27 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3mw9 h ASP 293 CO 0.04 0.06 -0.27 0.15 -1.57 0.00 0.00 179.24 177.65 3mw9 h PHE 294 N 0.30 -0.71 -0.58 4.55 3.04 -0.76 -1.87 116.94 120.91 3mw9 h PHE 294 Ca 0.29 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.33 3mw9 h PHE 294 Cb 0.39 0.28 -0.07 0.00 2.56 0.00 0.00 35.95 39.11 3mw9 h PHE 294 CO -0.21 -0.39 0.22 -0.22 -2.02 0.00 0.00 178.31 175.68 3mw9 h LYS 295 N -0.57 0.39 -0.08 1.11 1.63 -0.01 0.10 116.57 119.14 3mw9 h LYS 295 Ca -0.01 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3mw9 h LYS 295 Cb 0.52 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3mw9 h LYS 295 CO -0.06 0.26 0.04 -0.07 -3.45 0.00 0.00 179.45 176.16 3mw9 h LEU 296 N 0.40 0.09 0.12 5.20 3.38 -0.51 -0.13 115.31 123.86 3mw9 h LEU 296 Ca 0.29 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.96 3mw9 h LEU 296 Cb 0.34 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3mw9 h LEU 296 CO -0.29 0.08 -1.44 -0.61 0.09 0.00 0.00 178.44 176.27 3mw9 h GLN 297 N 0.11 0.25 0.00 1.13 5.75 -0.00 -3.40 115.11 118.95 3mw9 h GLN 297 Ca 0.03 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 3mw9 h GLN 297 Cb 0.02 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3mw9 h GLN 297 CO -0.00 1.14 0.00 0.72 -2.65 0.00 0.00 178.83 178.03 3mw9 n HIS 298 N -3.47 0.00 -1.00 3.99 8.25 -0.27 -5.00 115.22 117.72 3mw9 n HIS 298 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3mw9 n HIS 298 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 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 0.40 0.25 3.60 -1.41 0.00 -0.07 -4.95 105.19 103.02 3mw9 n GLY 299 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.51 0.01 -0.07 2.61 -1.32 -1.25 -5.05 115.64 109.06 3mw9 s THR 300 Ca 0.00 -1.12 0.14 0.00 -1.21 0.00 0.00 61.69 59.51 3mw9 s THR 300 Cb 0.00 -1.93 -0.21 0.00 -1.51 0.00 0.00 72.50 68.85 3mw9 s THR 300 CO 0.00 -0.06 0.21 2.30 -2.21 0.00 0.00 174.62 174.86 3mw9 n ILE 301 N -0.37 0.42 -1.66 5.08 -5.35 -1.26 -4.03 119.36 112.19 3mw9 n ILE 301 Ca -0.05 -0.46 -0.46 0.00 -0.27 0.00 0.00 62.75 61.50 3mw9 n ILE 301 Cb 0.62 -0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 38.29 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 -2.25 2.95 0.00 7.28 4.77 -1.26 -1.77 117.00 126.73 3mw9 n LEU 302 Ca -0.12 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 3mw9 n LEU 302 Cb 0.64 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3mw9 n LEU 302 CO 0.31 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3mw9 n GLY 303 N 3.02 0.52 3.67 -0.72 0.00 -1.26 -5.04 105.19 105.39 3mw9 n GLY 303 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 3mw9 n GLY 303 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mw9 n PHE 304 N -2.00 2.30 0.25 1.61 7.35 -0.73 -4.85 117.46 121.40 3mw9 n PHE 304 Ca 0.00 0.22 0.10 0.00 -0.76 0.00 0.00 57.45 57.02 3mw9 n PHE 304 Cb 0.00 -2.56 0.68 0.00 0.35 0.00 0.00 39.48 37.94 3mw9 n PHE 304 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3mw9 h PRO 305 N 6.33 0.00 -0.71 -7.13 0.11 -1.96 -2.92 132.00 125.71 3mw9 h PRO 305 Ca -0.45 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 3mw9 h PRO 305 Cb 1.25 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.25 3mw9 h PRO 305 CO 0.90 0.12 0.24 1.63 -0.21 0.00 0.00 178.00 180.67 3mw9 n LYS 306 N -3.95 3.77 -3.88 1.05 4.76 -1.26 -4.93 118.16 113.71 3mw9 n LYS 306 Ca -0.02 -3.10 -0.07 0.00 -2.87 0.00 0.00 58.31 52.24 3mw9 n LYS 306 Cb 0.21 -2.21 -0.02 0.00 -1.84 0.00 0.00 35.03 31.17 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 -2.99 -1.09 -0.04 7.82 0.00 -1.10 -4.89 121.76 119.47 3mw9 s ALA 307 Ca 0.55 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3mw9 s ALA 307 Cb 0.44 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.40 3mw9 s ALA 307 CO 0.13 -1.02 -0.00 0.15 0.00 0.00 0.00 175.76 175.03 3mw9 s LYS 308 N -3.90 2.88 -0.30 0.00 3.01 -0.78 -4.66 119.74 115.98 3mw9 s LYS 308 Ca 0.12 -0.52 -0.28 0.00 -1.01 0.00 0.00 55.97 54.29 3mw9 s LYS 308 Cb -0.05 -2.72 -0.05 0.00 -1.01 0.00 0.00 37.83 34.00 3mw9 s LYS 308 CO 0.07 0.66 2.20 0.42 0.51 0.00 0.00 175.35 179.22 3mw9 s ILE 309 N -0.98 3.07 0.02 2.17 -1.09 -1.26 -1.83 121.20 121.30 3mw9 s ILE 309 Ca 0.16 0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.42 3mw9 s ILE 309 Cb -0.11 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3mw9 s ILE 309 CO 0.06 -0.08 0.71 -0.47 -1.23 0.00 0.00 174.94 173.93 3mw9 s TYR 310 N 8.98 3.71 -0.11 3.97 6.14 0.49 -4.94 117.35 135.58 3mw9 s TYR 310 Ca 0.97 1.37 -0.03 0.00 0.64 0.00 0.00 57.07 60.02 3mw9 s TYR 310 Cb -0.28 -2.75 -0.03 0.00 0.42 0.00 0.00 41.96 39.32 3mw9 s TYR 310 CO 0.33 0.29 0.00 -2.00 0.64 0.00 0.00 175.55 174.80 3mw9 s GLU 311 N -0.04 3.27 0.00 4.97 2.56 -1.26 -4.08 118.70 124.11 3mw9 s GLU 311 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.91 3mw9 s GLU 311 Cb -0.20 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.06 3mw9 s GLU 311 CO 0.21 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.87 3mw9 n GLY 312 N 2.62 0.41 3.55 -1.50 0.00 -1.26 -5.01 105.19 103.99 3mw9 n GLY 312 Ca -0.18 -1.56 -0.59 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.51 0.46 0.27 1.61 2.88 -1.26 -4.87 113.62 112.20 3mw9 n SER 313 Ca 0.00 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.83 3mw9 n SER 313 Cb 0.00 -0.97 0.77 0.00 -0.75 0.00 0.00 64.21 63.26 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 3.32 0.52 0.00 2.46 6.09 -1.95 -2.12 117.51 125.82 3mw9 h ILE 314 Ca -0.50 -0.44 -0.07 0.00 -1.37 0.00 0.00 64.86 62.48 3mw9 h ILE 314 Cb 1.41 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 3mw9 h ILE 314 CO 0.71 0.09 -0.36 -0.07 -3.07 0.00 0.00 178.15 175.46 3mw9 h LEU 315 N 0.00 0.00 -1.88 2.19 3.38 -1.95 -3.08 115.31 113.97 3mw9 h LEU 315 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mw9 h LEU 315 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3mw9 h LEU 315 CO 0.01 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 3mw9 n GLU 316 N -3.59 2.26 -1.71 1.13 1.02 -0.80 -4.65 120.64 114.30 3mw9 n GLU 316 Ca -0.01 -1.86 -0.39 0.00 -0.02 0.00 0.00 57.16 54.88 3mw9 n GLU 316 Cb 0.48 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.47 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 1.15 3.78 -2.84 2.62 0.31 -1.17 -4.76 118.33 117.42 3mw9 n VAL 317 Ca 0.17 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3mw9 n VAL 317 Cb 0.54 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.99 6.84 0.20 4.52 -1.08 -1.26 -4.57 116.67 120.31 3mw9 s ASP 318 Ca 0.73 0.99 -0.23 0.00 -0.52 0.00 0.00 52.55 53.52 3mw9 s ASP 318 Cb -0.43 -2.45 0.06 0.00 -1.46 0.00 0.00 42.92 38.64 3mw9 s ASP 318 CO 0.49 -0.60 0.95 0.00 0.52 0.00 0.00 175.17 176.53 3mw9 h ASP 320 N 2.00 0.61 -3.36 0.00 3.32 -1.63 -3.33 116.42 114.03 3mw9 h ASP 320 Ca -0.26 -0.83 -0.49 0.00 0.02 0.00 0.00 57.03 55.47 3mw9 h ASP 320 Cb 1.23 -0.20 -0.35 0.00 0.22 0.00 0.00 39.33 40.23 3mw9 h ASP 320 CO 0.30 1.69 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.08 3mw9 s ILE 321 N -2.59 0.91 -0.20 0.35 1.01 -0.88 -1.34 121.20 118.45 3mw9 s ILE 321 Ca -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3mw9 s ILE 321 Cb 0.05 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3mw9 s ILE 321 CO 0.87 0.32 -0.06 -0.22 0.00 0.00 0.00 174.94 175.85 3mw9 s LEU 322 N 1.08 2.86 -0.71 2.97 2.96 -0.60 -1.61 118.68 125.63 3mw9 s LEU 322 Ca -0.07 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 3mw9 s LEU 322 Cb -0.14 -1.71 0.18 0.00 0.50 0.00 0.00 46.19 45.02 3mw9 s LEU 322 CO -0.01 0.02 0.56 -0.63 -1.32 0.00 0.00 176.35 174.97 3mw9 s ILE 323 N 1.26 4.24 -0.15 6.68 1.01 0.09 -1.16 121.20 133.18 3mw9 s ILE 323 Ca 0.03 -2.96 -0.29 0.00 0.00 0.00 0.00 60.65 57.43 3mw9 s ILE 323 Cb -0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 3mw9 s ILE 323 CO -0.02 -0.94 1.56 -2.16 0.00 0.00 0.00 174.94 173.38 3mw9 s PRO 324 N -0.17 4.02 -0.25 2.79 0.04 -1.26 -1.66 135.00 138.51 3mw9 s PRO 324 Ca 0.18 1.85 0.17 0.00 0.04 0.00 0.00 61.00 63.24 3mw9 s PRO 324 Cb -0.17 -3.96 0.48 0.00 0.04 0.00 0.00 34.50 30.89 3mw9 s PRO 324 CO -0.05 -1.02 1.15 0.00 0.04 0.00 0.00 177.00 177.11 3mw9 n ALA 325 N 7.62 3.48 -2.50 8.56 0.00 0.17 -1.47 120.51 136.36 3mw9 n ALA 325 Ca 0.17 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.50 3mw9 n ALA 325 Cb 0.44 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.58 0.00 -2.26 0.00 0.00 -1.07 -4.51 120.51 112.08 3mw9 n ALA 326 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 3mw9 n ALA 326 Cb 0.88 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.46 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 0.75 -4.88 0.00 7.64 -1.26 -4.68 113.62 111.18 3mw9 n SER 327 Ca 0.00 -1.77 -0.30 0.00 1.01 0.00 0.00 58.87 57.81 3mw9 n SER 327 Cb 0.00 -0.69 0.02 0.00 -1.01 0.00 0.00 64.21 62.53 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 -5.05 3.34 -1.12 1.43 8.01 -1.26 -4.48 118.70 119.57 3mw9 s GLU 328 Ca 0.61 0.55 -0.10 0.00 0.01 0.00 0.00 54.97 56.03 3mw9 s GLU 328 Cb -0.03 -2.11 -0.04 0.00 -4.31 0.00 0.00 34.13 27.64 3mw9 s GLU 328 CO 0.41 -0.66 0.85 1.63 0.01 0.00 0.00 175.26 177.50 3mw9 n LYS 329 N -2.75 -2.41 -0.09 1.61 5.02 0.87 -4.78 118.16 115.63 3mw9 n LYS 329 Ca 0.05 0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 56.92 3mw9 n LYS 329 Cb 0.55 -5.13 -0.11 0.00 -0.02 0.00 0.00 35.03 30.32 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 -3.75 0.97 -3.55 1.97 1.13 0.14 -4.35 117.38 109.94 3mw9 n GLN 330 Ca -0.12 0.05 -0.38 0.00 -1.94 0.00 0.00 57.00 54.61 3mw9 n GLN 330 Cb 0.62 -1.42 -0.11 0.00 0.11 0.00 0.00 30.24 29.45 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 -5.66 4.03 0.39 1.08 1.02 -0.89 -4.97 118.68 113.68 3mw9 s LEU 331 Ca -0.17 0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.07 3mw9 s LEU 331 Cb 0.06 -2.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.06 3mw9 s LEU 331 CO 0.58 -0.08 0.14 0.42 0.02 0.00 0.00 176.35 177.44 3mw9 s THR 332 N 1.81 0.53 0.16 5.49 -4.23 -1.26 -1.72 115.64 116.42 3mw9 s THR 332 Ca 0.09 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 3mw9 s THR 332 Cb -0.16 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3mw9 s THR 332 CO 0.11 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.45 3mw9 h LYS 333 N 1.86 0.34 0.08 3.99 3.64 -1.88 -1.30 116.57 123.30 3mw9 h LYS 333 Ca -0.34 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3mw9 h LYS 333 Cb 1.27 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3mw9 h LYS 333 CO 0.55 0.22 -0.43 0.77 -2.27 0.00 0.00 179.45 178.29 3mw9 h SER 334 N 0.35 -1.29 0.62 4.20 0.02 -1.95 -3.21 113.55 112.29 3mw9 h SER 334 Ca 0.16 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3mw9 h SER 334 Cb 0.10 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3mw9 h SER 334 CO -0.14 -0.44 -0.52 -0.46 -1.14 0.00 0.00 176.83 174.13 3mw9 n ASN 335 N -4.86 0.52 -0.27 3.07 6.94 -1.23 -4.21 115.26 115.23 3mw9 n ASN 335 Ca -0.07 -0.10 0.07 0.00 -0.02 0.00 0.00 54.58 54.46 3mw9 n ASN 335 Cb 0.33 0.20 0.21 0.00 -2.36 0.00 0.00 39.78 38.16 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 2.86 1.13 0.00 -2.53 0.00 -1.23 -2.16 119.26 117.32 3mw9 h ALA 336 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mw9 h ALA 336 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3mw9 h ALA 336 CO 0.00 -0.25 0.00 -2.30 0.00 0.00 0.00 179.25 176.70 3mw9 n PRO 337 N -5.03 0.02 -2.63 0.00 -0.02 -1.26 -3.67 135.00 122.41 3mw9 n PRO 337 Ca 0.16 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3mw9 n PRO 337 Cb 0.47 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 3mw9 n PRO 337 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3mw9 n ARG 338 N -1.46 1.67 0.03 -0.52 1.85 -0.81 -4.87 116.66 112.55 3mw9 n ARG 338 Ca 0.02 -3.53 0.07 0.00 -1.00 0.00 0.00 57.85 53.41 3mw9 n ARG 338 Cb 0.08 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 29.92 3mw9 n ARG 338 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3mw9 n VAL 339 N -0.19 0.64 -0.49 8.89 0.24 -1.24 -4.58 118.33 121.60 3mw9 n VAL 339 Ca 0.15 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3mw9 n VAL 339 Cb 0.79 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3mw9 n VAL 339 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3mw9 n LYS 340 N -2.61 -0.91 -3.39 7.34 2.85 -1.26 -4.48 118.16 115.69 3mw9 n LYS 340 Ca -0.07 0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 57.02 3mw9 n LYS 340 Cb 0.68 -3.72 -0.05 0.00 -0.65 0.00 0.00 35.03 31.29 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 -0.67 3.55 -0.10 0.58 0.00 -1.25 -4.19 121.76 119.68 3mw9 s ALA 341 Ca 0.00 -0.23 0.16 0.00 0.00 0.00 0.00 51.96 51.88 3mw9 s ALA 341 Cb 0.00 -2.47 -0.17 0.00 0.00 0.00 0.00 23.12 20.48 3mw9 s ALA 341 CO 0.00 0.49 0.75 1.63 0.00 0.00 0.00 175.76 178.63 3mw9 n LYS 342 N -0.00 0.63 -4.47 0.00 4.76 -0.45 -4.84 118.16 113.78 3mw9 n LYS 342 Ca -0.00 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.41 3mw9 n LYS 342 Cb 0.52 -1.79 -0.17 0.00 -1.84 0.00 0.00 35.03 31.76 3mw9 n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3mw9 s ILE 343 N -2.82 1.21 -0.25 -0.18 1.01 -0.70 -1.55 121.20 117.92 3mw9 s ILE 343 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3mw9 s ILE 343 Cb 0.08 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3mw9 s ILE 343 CO 0.82 0.38 0.07 -0.63 0.00 0.00 0.00 174.94 175.58 3mw9 s ILE 344 N 0.88 4.33 -0.83 2.92 1.01 0.93 -1.56 121.20 128.88 3mw9 s ILE 344 Ca -0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3mw9 s ILE 344 Cb -0.15 -3.02 0.21 0.00 0.01 0.00 0.00 42.46 39.50 3mw9 s ILE 344 CO 0.01 0.34 0.72 0.00 0.00 0.00 0.00 174.94 176.01 3mw9 s ALA 345 N 1.60 4.09 -0.47 9.38 0.00 -0.31 -0.39 121.76 135.66 3mw9 s ALA 345 Ca 0.06 -3.60 -0.31 0.00 0.00 0.00 0.00 51.96 48.11 3mw9 s ALA 345 Cb -0.15 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.90 3mw9 s ALA 345 CO 0.04 -2.16 2.35 0.39 0.00 0.00 0.00 175.76 176.37 3mw9 n GLU 346 N 2.94 1.04 -0.02 0.00 1.02 -0.98 -3.98 120.64 120.66 3mw9 n GLU 346 Ca 0.17 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.28 3mw9 n GLU 346 Cb 0.39 -2.75 -0.13 0.00 -0.02 0.00 0.00 31.44 28.93 3mw9 n GLU 346 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3mw9 h GLY 347 N 15.05 0.21 -1.16 0.62 0.00 -1.70 -3.37 103.07 112.72 3mw9 h GLY 347 Ca -0.25 -0.54 -0.48 0.00 0.00 0.00 0.00 47.33 46.06 3mw9 h GLY 347 CO 1.11 0.47 0.19 0.00 0.00 0.00 0.00 176.54 178.31 3mw9 s ALA 348 N -2.47 1.11 -0.26 3.60 0.00 -0.54 -4.65 121.76 118.56 3mw9 s ALA 348 Ca -0.23 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3mw9 s ALA 348 Cb 0.05 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3mw9 s ALA 348 CO 0.72 -2.76 0.49 -0.80 0.00 0.00 0.00 175.76 173.41 3mw9 s ASN 349 N -3.01 6.41 -0.88 0.00 0.01 -1.26 -4.41 114.94 111.79 3mw9 s ASN 349 Ca 0.65 0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 53.25 3mw9 s ASN 349 Cb -0.21 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.19 3mw9 s ASN 349 CO 0.59 -0.26 0.77 0.61 -1.51 0.00 0.00 177.10 177.29 3mw9 n GLY 350 N 4.39 -0.06 0.12 0.66 0.00 -1.26 -4.11 105.19 104.94 3mw9 n GLY 350 Ca -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.69 0.11 -5.43 1.61 0.13 -1.78 0.25 132.00 125.19 3mw9 h PRO 351 Ca -0.38 -0.11 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 3mw9 h PRO 351 Cb 1.24 0.03 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 3mw9 h PRO 351 CO 0.36 0.84 -0.70 0.95 -0.23 0.00 0.00 178.00 179.23 3mw9 s THR 352 N -3.30 3.61 0.72 1.56 -4.23 -1.26 0.28 115.64 113.01 3mw9 s THR 352 Ca -0.02 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.90 3mw9 s THR 352 Cb 0.11 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.43 3mw9 s THR 352 CO 0.80 0.52 1.09 0.42 -0.54 0.00 0.00 174.62 176.91 3mw9 s THR 353 N 0.18 3.42 0.25 3.99 -4.23 -0.70 -4.88 115.64 113.68 3mw9 s THR 353 Ca -0.04 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3mw9 s THR 353 Cb -0.14 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.87 3mw9 s THR 353 CO 0.04 -0.54 1.86 1.55 -0.54 0.00 0.00 174.62 176.98 3mw9 h PRO 354 N -0.65 0.99 -0.66 3.99 0.13 -1.92 -1.71 132.00 132.18 3mw9 h PRO 354 Ca -0.45 -0.06 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 3mw9 h PRO 354 Cb 1.23 -0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.07 3mw9 h PRO 354 CO 0.53 0.66 0.31 1.49 -0.23 0.00 0.00 178.00 180.75 3mw9 h GLU 355 N 1.02 0.52 0.00 0.86 4.57 -1.95 -1.30 114.58 118.30 3mw9 h GLU 355 Ca 0.40 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.48 3mw9 h GLU 355 Cb 0.20 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3mw9 h GLU 355 CO -0.18 0.34 -0.35 0.00 -1.18 0.00 0.00 179.01 177.64 3mw9 h ALA 356 N 1.41 1.30 -0.16 2.92 0.00 -1.60 -2.57 119.26 120.55 3mw9 h ALA 356 Ca 0.32 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mw9 h ALA 356 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mw9 h ALA 356 CO -0.27 0.44 -0.13 -0.44 0.00 0.00 0.00 179.25 178.85 3mw9 h ASP 357 N 0.00 0.25 0.62 0.00 3.32 -0.40 -1.43 116.42 118.78 3mw9 h ASP 357 Ca -0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3mw9 h ASP 357 Cb 0.67 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.16 3mw9 h ASP 357 CO 0.05 0.41 -0.30 0.11 -1.72 0.00 0.00 179.24 177.79 3mw9 h LYS 358 N 0.25 -0.81 -0.81 3.56 1.57 -1.03 -2.12 116.57 117.19 3mw9 h LYS 358 Ca 0.05 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3mw9 h LYS 358 Cb 0.39 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 32.74 3mw9 h LYS 358 CO 0.02 -0.54 -0.30 0.82 -0.57 0.00 0.00 179.45 178.89 3mw9 h ILE 359 N -0.94 0.12 -0.34 1.86 1.08 -1.46 0.35 117.51 118.18 3mw9 h ILE 359 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3mw9 h ILE 359 Cb 0.64 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3mw9 h ILE 359 CO 0.14 0.00 0.21 -0.26 -0.69 0.00 0.00 178.15 177.55 3mw9 h PHE 360 N -0.05 0.43 -0.51 1.37 0.05 -1.27 -1.66 116.94 115.30 3mw9 h PHE 360 Ca 0.34 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 62.06 3mw9 h PHE 360 Cb 0.59 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.38 3mw9 h PHE 360 CO -0.71 0.28 0.00 -0.07 -0.18 0.00 0.00 178.31 177.63 3mw9 h LEU 361 N 0.46 0.83 -0.03 1.54 3.38 0.40 -0.02 115.31 121.86 3mw9 h LEU 361 Ca 0.12 -0.21 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 3mw9 h LEU 361 Cb -0.03 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.51 3mw9 h LEU 361 CO -0.02 0.89 -0.94 -0.33 0.09 0.00 0.00 178.44 178.13 3mw9 h GLU 362 N 0.80 0.70 0.00 1.13 5.08 -0.80 -3.08 114.58 118.40 3mw9 h GLU 362 Ca 0.15 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3mw9 h GLU 362 Cb 0.47 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3mw9 h GLU 362 CO 0.02 1.29 0.00 0.54 -1.00 0.00 0.00 179.01 179.86 3mw9 n ARG 363 N -3.92 0.87 -3.64 2.33 1.74 -0.71 -4.89 116.66 108.45 3mw9 n ARG 363 Ca -0.10 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.77 3mw9 n ARG 363 Cb 0.83 -1.30 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.80 -1.88 -4.64 0.55 5.03 -1.07 -5.01 115.26 107.45 3mw9 n ASN 364 Ca 0.12 -0.75 -0.36 0.00 0.87 0.00 0.00 54.58 54.47 3mw9 n ASN 364 Cb 0.06 -4.38 -0.10 0.00 -1.02 0.00 0.00 39.78 34.34 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 -3.55 5.10 -0.44 2.41 1.01 -0.04 -4.78 121.20 120.91 3mw9 s ILE 365 Ca 0.07 0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 3mw9 s ILE 365 Cb -0.04 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.11 3mw9 s ILE 365 CO 0.79 0.39 0.90 -0.32 0.00 0.00 0.00 174.94 176.69 3mw9 s MET 366 N 0.84 3.59 -0.55 2.79 -2.45 -0.60 -4.53 119.30 118.39 3mw9 s MET 366 Ca 0.06 0.21 -0.19 0.00 -1.25 0.00 0.00 55.69 54.52 3mw9 s MET 366 Cb -0.13 -3.90 0.08 0.00 1.25 0.00 0.00 34.83 32.13 3mw9 s MET 366 CO 0.02 -1.13 0.67 0.08 1.05 0.00 0.00 175.02 175.72 3mw9 s VAL 367 N 3.59 4.83 -0.34 10.11 1.01 -1.26 -0.05 120.40 138.30 3mw9 s VAL 367 Ca 0.36 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3mw9 s VAL 367 Cb -0.11 -4.40 0.01 0.00 0.00 0.00 0.00 36.38 31.88 3mw9 s VAL 367 CO 0.24 -0.98 1.23 -0.63 0.00 0.00 0.00 175.10 174.96 3mw9 s ILE 368 N 2.69 4.22 0.33 2.22 1.01 0.48 -4.50 121.20 127.66 3mw9 s ILE 368 Ca 0.13 1.37 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 3mw9 s ILE 368 Cb -0.22 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 37.87 3mw9 s ILE 368 CO 0.09 -0.56 0.89 -2.16 0.00 0.00 0.00 174.94 173.20 3mw9 s PRO 369 N 4.13 4.41 0.15 2.79 0.04 -1.26 -2.31 135.00 142.94 3mw9 s PRO 369 Ca 0.53 1.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 3mw9 s PRO 369 Cb -0.14 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3mw9 s PRO 369 CO 0.23 0.23 1.38 -0.40 0.04 0.00 0.00 177.00 178.48 3mw9 n ASP 370 N 0.28 -0.92 -0.18 6.66 5.68 -1.26 -0.60 116.55 126.21 3mw9 n ASP 370 Ca 0.02 1.60 0.18 0.00 -0.50 0.00 0.00 54.79 56.09 3mw9 n ASP 370 Cb 0.51 -0.22 0.33 0.00 -1.14 0.00 0.00 41.12 40.60 3mw9 n ASP 370 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mw9 n LEU 371 N -5.14 0.19 -0.11 -2.12 4.77 -1.26 -2.12 117.00 111.22 3mw9 n LEU 371 Ca 0.02 0.91 -0.21 0.00 -0.03 0.00 0.00 56.01 56.71 3mw9 n LEU 371 Cb 0.24 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3mw9 n LEU 371 CO -0.14 -1.02 -1.12 0.00 -1.33 0.00 0.00 177.39 173.78 3mw9 n TYR 372 N -4.22 0.00 -0.03 -1.77 9.36 0.09 -4.56 117.16 116.02 3mw9 n TYR 372 Ca 0.21 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.34 3mw9 n TYR 372 Cb 0.72 -0.74 -0.03 0.00 -0.63 0.00 0.00 39.34 38.67 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 -0.84 -0.02 -2.83 2.98 6.46 -0.35 -2.90 115.31 117.81 3mw9 h LEU 373 Ca -0.45 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.28 3mw9 h LEU 373 Cb 1.35 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.30 3mw9 h LEU 373 CO -0.27 0.02 0.08 -0.46 -0.62 0.00 0.00 178.44 177.18 3mw9 n ASN 374 N -5.10 4.09 -0.25 1.25 0.23 -0.90 -3.88 115.26 110.69 3mw9 n ASN 374 Ca -0.03 -2.71 0.15 0.00 -0.53 0.00 0.00 54.58 51.46 3mw9 n ASN 374 Cb 0.09 -0.64 0.68 0.00 -2.08 0.00 0.00 39.78 37.82 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 0.25 2.66 -0.13 -2.53 0.00 -1.09 -3.38 120.51 116.28 3mw9 n ALA 375 Ca 0.22 -0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3mw9 n ALA 375 Cb 0.96 -1.31 0.41 0.00 0.00 0.00 0.00 19.45 19.51 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 4.92 0.80 0.00 0.00 0.00 -1.83 -1.07 103.07 105.90 3mw9 h GLY 376 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3mw9 h GLY 376 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.33 3mw9 n GLY 377 N -1.47 -2.80 0.36 4.60 0.00 -1.22 -1.88 105.19 102.77 3mw9 n GLY 377 Ca 0.10 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.47 3mw9 n GLY 377 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mw9 h VAL 378 N 0.00 1.04 -0.22 1.61 -1.51 -1.72 -1.48 116.25 113.96 3mw9 h VAL 378 Ca 0.00 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 3mw9 h VAL 378 Cb 0.00 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.27 3mw9 h VAL 378 CO 0.00 0.15 -0.02 0.74 -1.23 0.00 0.00 177.57 177.21 3mw9 h THR 379 N 0.85 1.15 0.06 7.19 2.02 -1.07 0.66 112.91 123.77 3mw9 h THR 379 Ca 0.33 -0.60 -0.29 0.00 0.77 0.00 0.00 66.41 66.62 3mw9 h THR 379 Cb 0.23 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3mw9 h THR 379 CO -0.11 0.20 -1.52 0.58 0.37 0.00 0.00 175.52 175.04 3mw9 h VAL 380 N 0.32 1.13 -0.72 3.16 2.07 -0.58 -2.55 116.25 119.08 3mw9 h VAL 380 Ca 0.07 -2.85 0.05 0.00 0.82 0.00 0.00 66.70 64.79 3mw9 h VAL 380 Cb 0.25 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.63 3mw9 h VAL 380 CO 0.01 0.76 0.43 0.28 0.02 0.00 0.00 177.57 179.07 3mw9 h SER 381 N 0.04 0.68 -0.53 0.57 0.02 -0.97 0.14 113.55 113.50 3mw9 h SER 381 Ca -0.23 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3mw9 h SER 381 Cb 1.97 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 64.33 3mw9 h SER 381 CO 0.13 0.45 0.23 0.22 -1.14 0.00 0.00 176.83 176.72 3mw9 h TYR 382 N 0.81 0.42 -0.73 3.45 3.20 -0.89 0.21 116.97 123.44 3mw9 h TYR 382 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3mw9 h TYR 382 Cb 0.11 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3mw9 h TYR 382 CO -0.05 0.17 0.40 0.74 -1.64 0.00 0.00 178.16 177.78 3mw9 h PHE 383 N 0.45 0.99 -0.45 -3.82 0.04 -0.92 -1.42 116.94 111.81 3mw9 h PHE 383 Ca 0.25 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 3mw9 h PHE 383 Cb 0.22 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3mw9 h PHE 383 CO -0.13 0.69 -0.02 1.49 -0.60 0.00 0.00 178.31 179.74 3mw9 h GLU 384 N 1.02 0.81 -0.27 1.51 4.81 0.84 -0.21 114.58 123.11 3mw9 h GLU 384 Ca 0.26 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3mw9 h GLU 384 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3mw9 h GLU 384 CO -0.04 0.88 0.06 2.35 -0.73 0.00 0.00 179.01 181.53 3mw9 h TRP 385 N 0.66 0.45 -0.76 0.92 7.01 -0.35 0.19 115.95 124.08 3mw9 h TRP 385 Ca 0.13 -0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.16 3mw9 h TRP 385 Cb 0.52 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.39 3mw9 h TRP 385 CO 0.04 0.52 0.41 -0.07 -2.79 0.00 0.00 178.44 176.55 3mw9 h LEU 386 N 0.26 0.56 -0.19 0.65 4.07 -1.22 0.11 115.31 119.55 3mw9 h LEU 386 Ca 0.08 0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.15 3mw9 h LEU 386 Cb 0.30 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 3mw9 h LEU 386 CO 0.00 0.32 -0.14 -1.13 -1.08 0.00 0.00 178.44 176.42 3mw9 h ASN 387 N 0.69 -0.44 -0.80 -0.43 -0.00 0.78 -1.73 115.58 113.64 3mw9 h ASN 387 Ca 0.37 0.09 -0.03 0.00 -0.00 0.00 0.00 56.30 56.73 3mw9 h ASN 387 Cb 0.36 0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.87 3mw9 h ASN 387 CO -0.26 -0.18 0.39 0.78 -0.00 0.00 0.00 177.43 178.16 3mw9 h ASN 388 N -0.14 1.05 -0.34 1.15 2.35 0.15 -2.65 115.58 117.15 3mw9 h ASN 388 Ca 0.11 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3mw9 h ASN 388 Cb 0.31 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3mw9 h ASN 388 CO -0.27 0.89 0.21 -0.07 -1.65 0.00 0.00 177.43 176.54 3mw9 h LEU 389 N 1.14 0.42 0.00 1.61 3.38 -0.19 -3.07 115.31 118.60 3mw9 h LEU 389 Ca 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3mw9 h LEU 389 Cb 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3mw9 h LEU 389 CO -0.03 0.32 -0.52 0.78 0.09 0.00 0.00 178.44 179.07 3mw9 h ASN 390 N 0.49 0.00 -1.57 -0.43 2.35 -0.99 -3.48 115.58 111.94 3mw9 h ASN 390 Ca 0.13 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.46 3mw9 h ASN 390 Cb -0.02 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.23 3mw9 h ASN 390 CO -0.02 0.11 -0.43 1.41 -1.65 0.00 0.00 177.43 176.85 3mw9 n HIS 391 N -2.95 -0.30 -3.83 1.19 8.25 -1.08 -4.97 115.22 111.52 3mw9 n HIS 391 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 3mw9 n HIS 391 Cb 0.59 -3.58 -0.12 0.00 1.12 0.00 0.00 29.99 28.00 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 -2.84 0.03 0.37 1.59 -7.23 -1.26 -5.14 120.40 105.91 3mw9 s VAL 392 Ca 0.00 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 59.69 3mw9 s VAL 392 Cb 0.00 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 3mw9 s VAL 392 CO 0.00 -0.11 1.25 -0.94 -0.31 0.00 0.00 175.10 174.98 3mw9 s SER 393 N -0.35 6.63 0.31 4.85 1.04 -1.26 -4.93 113.70 119.98 3mw9 s SER 393 Ca -0.04 2.54 -0.29 0.00 0.48 0.00 0.00 55.95 58.64 3mw9 s SER 393 Cb -0.03 -2.63 -0.12 0.00 0.10 0.00 0.00 66.02 63.33 3mw9 s SER 393 CO 0.01 -0.62 1.43 0.00 0.98 0.00 0.00 173.24 175.03 3mw9 n TYR 394 N 0.45 2.50 0.00 5.02 9.36 -1.26 -2.87 117.16 130.36 3mw9 n TYR 394 Ca 0.02 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.67 3mw9 n TYR 394 Cb 0.44 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 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 1.43 2.97 0.26 2.98 0.00 -1.26 -4.08 105.19 107.50 3mw9 n GLY 395 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 1.03 0.39 0.00 1.61 2.43 -1.87 0.15 114.38 118.12 3mw9 h ARG 396 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mw9 h ARG 396 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3mw9 h ARG 396 CO 0.00 0.26 0.00 -0.07 -1.51 0.00 0.00 179.97 178.65 3mw9 h LEU 397 N 0.40 0.00 0.00 3.80 3.38 -1.90 -3.33 115.31 117.66 3mw9 h LEU 397 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3mw9 h LEU 397 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mw9 h LEU 397 CO -0.40 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 178.45 3mw9 n THR 398 N -3.00 0.00 -0.06 0.22 -2.24 -0.13 -4.76 114.28 104.32 3mw9 n THR 398 Ca -0.01 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 3mw9 n THR 398 Cb 0.20 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.65 -0.07 4.78 0.05 -1.22 0.96 116.94 119.79 3mw9 h PHE 399 Ca 0.00 0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.89 3mw9 h PHE 399 Cb 0.00 0.75 -0.03 0.00 2.00 0.00 0.00 35.95 38.67 3mw9 h PHE 399 CO 0.00 -0.52 -0.12 -0.22 -0.18 0.00 0.00 178.31 177.27 3mw9 h LYS 400 N -0.51 -0.16 -0.18 1.51 3.64 -1.87 -1.67 116.57 117.33 3mw9 h LYS 400 Ca 0.05 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3mw9 h LYS 400 Cb 0.64 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3mw9 h LYS 400 CO -0.50 -0.11 0.06 -0.92 -2.27 0.00 0.00 179.45 175.72 3mw9 h TYR 401 N -0.16 0.11 -0.21 1.91 3.20 -1.72 -1.97 116.97 118.13 3mw9 h TYR 401 Ca 0.07 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3mw9 h TYR 401 Cb 0.26 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3mw9 h TYR 401 CO -0.21 0.06 0.07 0.93 -1.64 0.00 0.00 178.16 177.37 3mw9 h GLU 402 N 0.15 0.16 -0.17 1.82 4.39 -0.77 0.79 114.58 120.96 3mw9 h GLU 402 Ca 0.08 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3mw9 h GLU 402 Cb 0.05 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 3mw9 h GLU 402 CO -0.08 0.11 -0.45 -0.09 -1.16 0.00 0.00 179.01 177.34 3mw9 h ARG 403 N 0.17 -0.42 -0.42 2.33 2.43 -1.08 0.41 114.38 117.79 3mw9 h ARG 403 Ca 0.09 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3mw9 h ARG 403 Cb 0.06 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3mw9 h ARG 403 CO -0.10 -0.28 0.03 -0.44 -1.51 0.00 0.00 179.97 177.68 3mw9 h ASP 404 N -0.44 -0.10 -0.53 -3.80 3.32 -1.27 -2.12 116.42 111.49 3mw9 h ASP 404 Ca 0.03 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.25 3mw9 h ASP 404 Cb 0.54 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 3mw9 h ASP 404 CO -0.39 -0.02 0.19 -1.28 -1.72 0.00 0.00 179.24 176.02 3mw9 h SER 405 N 0.15 0.19 -0.76 6.45 0.87 -0.17 -1.61 113.55 118.67 3mw9 h SER 405 Ca 0.21 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3mw9 h SER 405 Cb 0.28 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3mw9 h SER 405 CO -0.31 0.13 0.32 0.78 -0.53 0.00 0.00 176.83 177.22 3mw9 h ASN 406 N 0.37 1.04 -0.47 6.23 -0.26 -0.33 -0.88 115.58 121.28 3mw9 h ASN 406 Ca 0.26 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.76 3mw9 h ASN 406 Cb 0.28 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 3mw9 h ASN 406 CO -0.26 0.91 -0.06 1.88 -1.06 0.00 0.00 177.43 178.84 3mw9 h TYR 407 N 1.11 0.96 0.00 1.19 0.99 -0.90 -1.54 116.97 118.78 3mw9 h TYR 407 Ca 0.26 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3mw9 h TYR 407 Cb 0.18 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 3mw9 h TYR 407 CO 0.02 0.93 -0.18 0.45 -0.00 0.00 0.00 178.16 179.38 3mw9 h HIS 408 N 0.71 0.00 0.63 4.88 3.86 -0.91 0.14 115.15 124.46 3mw9 h HIS 408 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3mw9 h HIS 408 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 3mw9 h HIS 408 CO 0.04 0.18 -0.30 1.25 0.86 0.00 0.00 177.93 179.96 3mw9 h LEU 409 N 0.00 -0.71 -0.63 2.43 6.46 -0.52 -0.91 115.31 121.42 3mw9 h LEU 409 Ca -0.00 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 3mw9 h LEU 409 Cb 0.34 0.18 -0.12 0.00 -0.73 0.00 0.00 40.66 40.34 3mw9 h LEU 409 CO 0.02 -0.40 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.24 3mw9 h LEU 410 N -1.06 -0.53 -1.94 2.25 4.07 -1.10 0.11 115.31 117.09 3mw9 h LEU 410 Ca -0.09 0.18 0.15 0.00 0.08 0.00 0.00 57.88 58.20 3mw9 h LEU 410 Cb 0.65 0.37 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 3mw9 h LEU 410 CO 0.14 -0.19 0.38 -0.03 -1.08 0.00 0.00 178.44 177.66 3mw9 h MET 411 N 0.02 0.06 -0.34 1.13 4.05 -0.67 -1.26 114.93 117.91 3mw9 h MET 411 Ca 0.31 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.67 3mw9 h MET 411 Cb 0.48 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 3mw9 h MET 411 CO -0.63 0.04 0.02 0.77 0.23 0.00 0.00 176.91 177.34 3mw9 h SER 412 N 0.06 0.58 0.10 1.39 0.02 0.68 -0.29 113.55 116.08 3mw9 h SER 412 Ca 0.26 -0.29 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 3mw9 h SER 412 Cb 0.95 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3mw9 h SER 412 CO -0.02 0.73 -0.59 1.62 -1.14 0.00 0.00 176.83 177.43 3mw9 h VAL 413 N 0.41 1.34 -0.20 2.27 3.04 -1.20 -2.53 116.25 119.38 3mw9 h VAL 413 Ca 0.10 -1.88 0.04 0.00 -1.01 0.00 0.00 66.70 63.94 3mw9 h VAL 413 Cb 0.42 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 3mw9 h VAL 413 CO 0.01 0.58 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.53 3mw9 h GLN 414 N 0.37 0.04 0.00 4.17 4.15 -1.05 -1.89 115.11 120.90 3mw9 h GLN 414 Ca -0.00 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3mw9 h GLN 414 Cb 1.14 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3mw9 h GLN 414 CO 0.11 0.03 -0.20 0.93 -1.93 0.00 0.00 178.83 177.76 3mw9 h GLU 415 N 0.04 0.00 0.02 1.69 5.08 -1.05 -2.49 114.58 117.87 3mw9 h GLU 415 Ca 0.10 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 3mw9 h GLU 415 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3mw9 h GLU 415 CO -0.18 0.20 -0.98 0.77 -1.00 0.00 0.00 179.01 177.83 3mw9 h SER 416 N 0.00 0.13 -0.05 1.42 0.02 -1.07 -2.66 113.55 111.34 3mw9 h SER 416 Ca -0.00 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3mw9 h SER 416 Cb 0.80 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3mw9 h SER 416 CO 0.03 1.03 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.38 3mw9 h LEU 417 N 0.04 0.35 -1.53 5.07 3.38 -1.13 -2.53 115.31 118.96 3mw9 h LEU 417 Ca -0.04 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 3mw9 h LEU 417 Cb 1.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3mw9 h LEU 417 CO 0.14 0.96 0.09 -0.33 0.09 0.00 0.00 178.44 179.39 3mw9 h GLU 418 N -0.24 0.40 -0.28 1.13 5.08 -1.51 0.32 114.58 119.48 3mw9 h GLU 418 Ca -0.02 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3mw9 h GLU 418 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3mw9 h GLU 418 CO 0.06 0.36 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.10 3mw9 h ARG 419 N 0.40 0.53 0.08 2.33 2.43 -1.45 -1.33 114.38 117.37 3mw9 h ARG 419 Ca 0.10 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3mw9 h ARG 419 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3mw9 h ARG 419 CO -0.01 0.73 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.92 3mw9 h LYS 420 N 0.47 -0.11 -2.05 0.20 3.11 -0.76 -3.34 116.57 114.09 3mw9 h LYS 420 Ca 0.07 0.01 -0.74 0.00 -2.81 0.00 0.00 60.65 57.18 3mw9 h LYS 420 Cb 0.67 0.02 -0.30 0.00 -1.00 0.00 0.00 32.23 31.62 3mw9 h LYS 420 CO 0.05 0.42 0.65 1.19 -2.81 0.00 0.00 179.45 178.95 3mw9 n PHE 421 N -4.86 3.08 0.00 1.91 0.99 -0.03 -5.02 117.46 113.53 3mw9 n PHE 421 Ca -0.08 -2.67 0.00 0.00 -0.00 0.00 0.00 57.45 54.69 3mw9 n PHE 421 Cb 0.29 -0.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.79 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 -0.34 0.00 0.15 1.37 0.00 -0.51 -2.21 105.19 103.64 3mw9 n GLY 422 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 0.59 1.61 6.56 -1.91 -3.35 116.57 120.08 3mw9 h LYS 423 Ca 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 3mw9 h LYS 423 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3mw9 h LYS 423 CO 0.00 0.00 -0.29 1.25 -2.06 0.00 0.00 179.45 178.35 3mw9 h HIS 424 N 0.00 -0.74 0.00 -1.35 -0.00 -1.94 -3.18 115.15 107.94 3mw9 h HIS 424 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3mw9 h HIS 424 Cb 0.85 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 3mw9 h HIS 424 CO 0.00 -0.46 0.00 0.78 -0.00 0.00 0.00 177.93 178.25 3mw9 h GLY 425 N -0.97 0.00 0.00 5.26 0.00 -1.62 -3.48 103.07 102.26 3mw9 h GLY 425 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3mw9 h GLY 425 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 3mw9 n GLY 426 N -0.43 0.71 3.75 4.60 0.00 -1.20 -4.62 105.19 108.00 3mw9 n GLY 426 Ca -0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 5.16 -0.53 2.61 2.01 -1.26 -4.85 115.64 118.78 3mw9 s THR 427 Ca 0.00 0.88 0.04 0.00 0.31 0.00 0.00 61.69 62.92 3mw9 s THR 427 Cb 0.00 -3.77 0.13 0.00 0.01 0.00 0.00 72.50 68.87 3mw9 s THR 427 CO 0.00 0.39 0.28 -0.63 -0.69 0.00 0.00 174.62 173.97 3mw9 s ILE 428 N 0.22 2.58 -0.10 1.82 1.01 -1.26 -5.08 121.20 120.39 3mw9 s ILE 428 Ca 0.24 -3.40 -0.29 0.00 0.00 0.00 0.00 60.65 57.20 3mw9 s ILE 428 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3mw9 s ILE 428 CO 0.10 -0.82 1.52 -2.16 0.00 0.00 0.00 174.94 173.58 3mw9 s PRO 429 N -0.39 4.18 -0.24 2.79 0.04 -1.26 -4.78 135.00 135.34 3mw9 s PRO 429 Ca 0.18 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 3mw9 s PRO 429 Cb -0.24 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 3mw9 s PRO 429 CO -0.02 -0.82 0.11 0.42 0.04 0.00 0.00 177.00 176.74 3mw9 s ILE 430 N 3.91 4.89 0.00 0.56 -1.09 -1.26 -5.08 121.20 123.14 3mw9 s ILE 430 Ca 0.67 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3mw9 s ILE 430 Cb -0.29 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.31 3mw9 s ILE 430 CO 0.24 0.35 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.61 3mw9 s VAL 431 N 1.20 0.03 0.48 2.92 1.01 -1.26 -4.79 120.40 119.99 3mw9 s VAL 431 Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 3mw9 s VAL 431 Cb -0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 3mw9 s VAL 431 CO 0.05 -0.13 1.37 -2.84 0.00 0.00 0.00 175.10 173.54 3mw9 s PRO 432 N -0.39 3.53 1.07 2.72 0.02 -1.26 -4.99 135.00 135.69 3mw9 s PRO 432 Ca -0.04 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 3mw9 s PRO 432 Cb -0.03 -2.51 0.23 0.00 0.02 0.00 0.00 34.50 32.21 3mw9 s PRO 432 CO -0.00 -0.90 1.08 0.95 -0.33 0.00 0.00 177.00 177.80 3mw9 s THR 433 N -1.27 1.95 0.21 0.99 -4.23 -1.26 -4.72 115.64 107.31 3mw9 s THR 433 Ca 0.64 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.06 3mw9 s THR 433 Cb -0.41 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.16 3mw9 s THR 433 CO 0.51 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.35 3mw9 h ALA 434 N -2.16 0.83 -0.49 3.99 0.00 -1.99 0.13 119.26 119.57 3mw9 h ALA 434 Ca -0.55 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3mw9 h ALA 434 Cb 1.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3mw9 h ALA 434 CO 0.54 -0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.44 3mw9 h GLU 435 N 0.50 0.96 -0.02 0.00 3.07 -2.01 -2.77 114.58 114.31 3mw9 h GLU 435 Ca 0.31 -0.37 -0.14 0.00 -0.50 0.00 0.00 59.36 58.65 3mw9 h GLU 435 Cb 0.33 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3mw9 h GLU 435 CO -0.26 1.04 -0.65 0.35 -1.40 0.00 0.00 179.01 178.09 3mw9 h PHE 436 N 0.85 0.09 -0.82 4.33 3.57 -1.84 -3.02 116.94 120.09 3mw9 h PHE 436 Ca 0.12 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.74 3mw9 h PHE 436 Cb 0.71 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 3mw9 h PHE 436 CO 0.05 0.69 0.54 1.96 -2.23 0.00 0.00 178.31 179.32 3mw9 h GLN 437 N 0.05 0.51 0.00 1.11 1.08 -0.46 -0.64 115.11 116.76 3mw9 h GLN 437 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3mw9 h GLN 437 Cb 1.15 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3mw9 h GLN 437 CO 0.09 0.34 0.00 -0.44 -0.95 0.00 0.00 178.83 177.87 3mw9 h ASP 438 N 0.53 0.00 -0.23 1.46 3.45 -1.40 -3.08 116.42 117.16 3mw9 h ASP 438 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 3mw9 h ASP 438 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 3mw9 h ASP 438 CO -0.16 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.05 3mw9 n ARG 439 N -2.82 1.91 0.31 3.56 1.74 -0.31 -4.67 116.66 116.38 3mw9 n ARG 439 Ca 0.03 -1.76 0.19 0.00 -0.77 0.00 0.00 57.85 55.54 3mw9 n ARG 439 Cb 0.38 -1.29 1.00 0.00 -1.02 0.00 0.00 32.46 31.52 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 2.54 0.10 -0.01 0.55 6.09 -1.29 -0.21 117.51 125.28 3mw9 h ILE 440 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3mw9 h ILE 440 Cb 0.68 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.82 3mw9 h ILE 440 CO 0.00 0.00 -0.18 -1.20 -3.07 0.00 0.00 178.15 173.70 3mw9 n SER 441 N -3.17 1.75 0.00 2.19 7.64 -1.26 -3.02 113.62 117.74 3mw9 n SER 441 Ca -0.02 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.49 3mw9 n SER 441 Cb 0.23 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.97 -0.26 3.78 0.23 0.00 -0.09 -4.27 105.19 105.54 3mw9 n GLY 442 Ca 0.07 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.80 3.56 0.57 4.61 0.00 -1.26 -4.94 121.76 122.50 3mw9 s ALA 443 Ca 0.00 1.52 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3mw9 s ALA 443 Cb 0.00 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.60 3mw9 s ALA 443 CO 0.00 -0.98 0.57 -1.54 0.00 0.00 0.00 175.76 173.81 3mw9 s SER 444 N -0.20 4.79 0.16 0.00 1.04 -1.26 -4.15 113.70 114.08 3mw9 s SER 444 Ca 0.52 -1.12 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 3mw9 s SER 444 Cb -0.45 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.20 3mw9 s SER 444 CO 0.61 -1.24 1.65 -0.08 0.98 0.00 0.00 173.24 175.17 3mw9 h GLU 445 N 0.49 -0.07 -0.69 4.02 4.81 -1.95 -1.08 114.58 120.12 3mw9 h GLU 445 Ca -0.33 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3mw9 h GLU 445 Cb 1.30 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3mw9 h GLU 445 CO 0.50 -0.04 0.40 -0.22 -0.73 0.00 0.00 179.01 178.92 3mw9 h LYS 446 N -0.07 0.74 -0.41 1.92 3.64 -1.96 -1.47 116.57 118.95 3mw9 h LYS 446 Ca 0.18 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3mw9 h LYS 446 Cb 0.35 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3mw9 h LYS 446 CO -0.42 0.49 0.24 -0.44 -2.27 0.00 0.00 179.45 177.05 3mw9 h ASP 447 N 0.76 0.39 -0.58 4.20 3.45 -1.66 -1.58 116.42 121.41 3mw9 h ASP 447 Ca 0.30 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.77 3mw9 h ASP 447 Cb 0.13 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3mw9 h ASP 447 CO -0.16 0.28 0.38 0.40 -1.57 0.00 0.00 179.24 178.58 3mw9 h ILE 448 N 0.49 1.14 -0.45 0.35 1.08 -0.90 -1.05 117.51 118.18 3mw9 h ILE 448 Ca 0.16 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3mw9 h ILE 448 Cb 0.01 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3mw9 h ILE 448 CO -0.08 0.14 0.18 0.58 -0.69 0.00 0.00 178.15 178.29 3mw9 h VAL 449 N 0.78 1.20 0.29 1.67 2.07 -0.93 0.32 116.25 121.66 3mw9 h VAL 449 Ca 0.21 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3mw9 h VAL 449 Cb -0.08 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3mw9 h VAL 449 CO -0.05 0.23 -0.14 0.45 0.02 0.00 0.00 177.57 178.08 3mw9 h HIS 450 N 0.59 -0.36 -0.39 1.57 3.86 -1.14 -2.17 115.15 117.10 3mw9 h HIS 450 Ca 0.15 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 3mw9 h HIS 450 Cb 0.19 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3mw9 h HIS 450 CO 0.00 -0.01 -0.20 0.66 0.86 0.00 0.00 177.93 179.24 3mw9 h SER 451 N -0.87 0.85 -0.63 2.45 4.64 -1.27 -1.42 113.55 117.31 3mw9 h SER 451 Ca -0.04 -0.41 0.09 0.00 -0.47 0.00 0.00 61.79 60.96 3mw9 h SER 451 Cb 0.52 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 3mw9 h SER 451 CO 0.07 1.07 0.27 1.23 -0.87 0.00 0.00 176.83 178.59 3mw9 h GLY 452 N 0.63 0.90 0.75 -0.77 0.00 -0.45 0.17 103.07 104.29 3mw9 h GLY 452 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3mw9 h GLY 452 CO 0.06 0.02 -0.12 -2.00 0.00 0.00 0.00 176.54 174.49 3mw9 h LEU 453 N 0.47 0.37 -0.49 3.11 5.85 -1.28 -2.67 115.31 120.68 3mw9 h LEU 453 Ca 0.31 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3mw9 h LEU 453 Cb 0.35 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3mw9 h LEU 453 CO -0.28 0.75 0.22 0.00 -0.34 0.00 0.00 178.44 178.80 3mw9 h ALA 454 N 0.64 0.61 -0.64 1.25 0.00 -0.81 -2.30 119.26 118.00 3mw9 h ALA 454 Ca 0.03 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3mw9 h ALA 454 Cb 0.63 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3mw9 h ALA 454 CO 0.03 -0.14 0.34 -0.92 0.00 0.00 0.00 179.25 178.56 3mw9 h TYR 455 N 0.44 0.62 -0.03 0.00 3.20 -0.62 -2.18 116.97 118.40 3mw9 h TYR 455 Ca 0.22 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 3mw9 h TYR 455 Cb 0.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3mw9 h TYR 455 CO -0.12 0.28 -0.71 1.79 -1.64 0.00 0.00 178.16 177.76 3mw9 h THR 456 N 0.62 1.45 -0.21 1.81 1.35 -1.18 -2.18 112.91 114.57 3mw9 h THR 456 Ca 0.29 -2.29 -0.16 0.00 -0.55 0.00 0.00 66.41 63.71 3mw9 h THR 456 Cb 0.22 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3mw9 h THR 456 CO -0.20 0.67 -0.52 0.24 -0.25 0.00 0.00 175.52 175.45 3mw9 h MET 457 N 0.10 0.61 0.46 4.72 2.86 -1.20 0.04 114.93 122.52 3mw9 h MET 457 Ca -0.02 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 3mw9 h MET 457 Cb 1.26 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3mw9 h MET 457 CO 0.10 0.98 -0.22 1.49 1.06 0.00 0.00 176.91 180.32 3mw9 h GLU 458 N 0.47 -0.60 -0.56 1.72 4.22 -1.43 -0.63 114.58 117.77 3mw9 h GLU 458 Ca 0.02 0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.61 3mw9 h GLU 458 Cb 1.07 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 3mw9 h GLU 458 CO 0.10 -0.30 -0.18 -0.09 -2.18 0.00 0.00 179.01 176.36 3mw9 h ARG 459 N -0.99 -0.05 0.00 1.92 2.43 -1.41 -0.85 114.38 115.44 3mw9 h ARG 459 Ca -0.06 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3mw9 h ARG 459 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3mw9 h ARG 459 CO 0.10 -0.03 -0.33 0.77 -1.51 0.00 0.00 179.97 178.98 3mw9 h SER 460 N -0.05 0.00 -0.48 -3.80 0.02 -0.98 -2.31 113.55 105.95 3mw9 h SER 460 Ca 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3mw9 h SER 460 Cb 0.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3mw9 h SER 460 CO -0.61 0.33 0.11 0.00 -1.14 0.00 0.00 176.83 175.52 3mw9 h ALA 461 N 1.67 0.63 -0.31 3.77 0.00 0.24 -2.87 119.26 122.39 3mw9 h ALA 461 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3mw9 h ALA 461 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3mw9 h ALA 461 CO 0.04 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 3mw9 h ARG 462 N 0.65 0.61 -0.52 0.00 3.08 -0.76 -1.73 114.38 115.71 3mw9 h ARG 462 Ca 0.15 -0.24 0.10 0.00 0.07 0.00 0.00 59.98 60.06 3mw9 h ARG 462 Cb 0.33 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3mw9 h ARG 462 CO 0.00 0.80 0.35 1.96 -1.07 0.00 0.00 179.97 182.02 3mw9 h GLN 463 N 0.38 0.29 0.04 0.04 4.20 -1.51 0.01 115.11 118.56 3mw9 h GLN 463 Ca 0.08 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.51 3mw9 h GLN 463 Cb 0.58 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.32 3mw9 h GLN 463 CO 0.03 0.19 -1.04 0.82 -0.67 0.00 0.00 178.83 178.17 3mw9 h ILE 464 N 0.29 1.31 0.75 2.54 2.04 -1.20 -2.07 117.51 121.17 3mw9 h ILE 464 Ca 0.24 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.77 3mw9 h ILE 464 Cb 0.56 2.55 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 3mw9 h ILE 464 CO -0.05 0.70 -0.36 0.24 0.00 0.00 0.00 178.15 178.68 3mw9 h MET 465 N 0.25 -0.97 -0.82 2.37 2.86 -1.03 -0.84 114.93 116.75 3mw9 h MET 465 Ca -0.14 0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.77 3mw9 h MET 465 Cb 1.71 0.22 -0.13 0.00 0.06 0.00 0.00 31.60 33.46 3mw9 h MET 465 CO 0.20 -0.63 0.14 -0.09 1.06 0.00 0.00 176.91 177.60 3mw9 h ARG 466 N -1.10 0.18 -0.13 1.72 2.43 -1.07 0.42 114.38 116.82 3mw9 h ARG 466 Ca -0.10 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 3mw9 h ARG 466 Cb 0.79 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3mw9 h ARG 466 CO 0.17 0.12 -0.42 1.15 -1.51 0.00 0.00 179.97 179.48 3mw9 h THR 467 N 0.18 1.31 -0.04 0.20 2.02 -1.29 -1.58 112.91 113.71 3mw9 h THR 467 Ca 0.48 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3mw9 h THR 467 Cb 0.91 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 3mw9 h THR 467 CO -0.64 0.47 -0.21 0.00 0.37 0.00 0.00 175.52 175.51 3mw9 h ALA 468 N 1.32 0.08 -0.00 6.16 0.00 0.12 -2.98 119.26 123.96 3mw9 h ALA 468 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3mw9 h ALA 468 Cb 0.84 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3mw9 h ALA 468 CO 0.07 0.06 -0.23 0.52 0.00 0.00 0.00 179.25 179.67 3mw9 h MET 469 N -0.34 -0.35 0.00 0.00 2.07 -0.90 0.50 114.93 115.91 3mw9 h MET 469 Ca -0.01 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3mw9 h MET 469 Cb 0.87 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.68 3mw9 h MET 469 CO 0.04 -0.23 0.20 -0.22 1.07 0.00 0.00 176.91 177.77 3mw9 h LYS 470 N -0.36 0.00 0.00 1.72 3.64 -1.26 -0.22 116.57 120.10 3mw9 h LYS 470 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3mw9 h LYS 470 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3mw9 h LYS 470 CO -0.21 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.62 3mw9 n TYR 471 N -2.78 0.00 -3.72 1.91 4.02 -1.08 -5.01 117.16 110.51 3mw9 n TYR 471 Ca -0.02 -0.54 -0.32 0.00 -0.01 0.00 0.00 57.90 57.01 3mw9 n TYR 471 Cb 0.25 -0.06 0.04 0.00 -0.02 0.00 0.00 39.34 39.54 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 -0.61 -4.90 0.03 7.72 3.02 -0.09 -4.91 115.26 115.52 3mw9 n ASN 472 Ca 0.02 -1.03 0.11 0.00 -0.03 0.00 0.00 54.58 53.66 3mw9 n ASN 472 Cb 0.33 -3.29 -0.09 0.00 -0.61 0.00 0.00 39.78 36.11 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 -4.24 0.38 0.00 3.41 4.77 0.09 -5.02 117.00 116.38 3mw9 n LEU 473 Ca -0.11 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3mw9 n LEU 473 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3mw9 n LEU 473 CO 0.68 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3mw9 n GLY 474 N 1.25 3.01 0.88 -0.72 0.00 -1.26 -1.81 105.19 106.55 3mw9 n GLY 474 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 2.59 -3.80 0.99 4.77 -1.26 -4.56 117.00 115.73 3mw9 n LEU 475 Ca 0.00 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.35 3mw9 n LEU 475 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3mw9 n LEU 475 CO 0.00 0.60 2.20 -0.67 -1.33 0.00 0.00 177.39 178.19 3mw9 n ASP 476 N 0.91 4.96 0.19 -1.43 4.64 -0.75 -4.40 116.55 120.68 3mw9 n ASP 476 Ca 0.17 -3.03 0.03 0.00 -1.38 0.00 0.00 54.79 50.59 3mw9 n ASP 476 Cb 0.44 -1.52 0.40 0.00 -1.04 0.00 0.00 41.12 39.39 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 8.31 0.00 0.13 -2.67 3.38 -1.80 -3.08 115.31 119.58 3mw9 h LEU 477 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3mw9 h LEU 477 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3mw9 h LEU 477 CO 1.70 0.33 -0.12 -0.09 0.09 0.00 0.00 178.44 180.35 3mw9 h ARG 478 N 0.00 -0.26 -0.58 1.13 2.43 -1.85 -0.85 114.38 114.39 3mw9 h ARG 478 Ca -0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3mw9 h ARG 478 Cb 0.61 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3mw9 h ARG 478 CO 0.04 -0.18 0.00 1.79 -1.51 0.00 0.00 179.97 180.12 3mw9 h THR 479 N -0.27 1.26 -1.02 0.20 1.35 -1.91 -0.95 112.91 111.57 3mw9 h THR 479 Ca 0.00 -1.13 0.26 0.00 -0.55 0.00 0.00 66.41 65.00 3mw9 h THR 479 Cb 0.26 0.81 -0.08 0.00 -1.73 0.00 0.00 68.15 67.41 3mw9 h THR 479 CO -0.03 0.41 0.67 0.00 -0.25 0.00 0.00 175.52 176.32 3mw9 h ALA 480 N 1.06 2.36 0.16 6.62 0.00 -1.38 0.13 119.26 128.20 3mw9 h ALA 480 Ca 0.17 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 3mw9 h ALA 480 Cb 0.54 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3mw9 h ALA 480 CO 0.03 -0.72 -1.11 0.00 0.00 0.00 0.00 179.25 177.45 3mw9 h ALA 481 N 1.59 -0.03 -1.00 0.00 0.00 0.00 -2.92 119.26 116.90 3mw9 h ALA 481 Ca 0.55 -0.84 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3mw9 h ALA 481 Cb 1.52 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 3mw9 h ALA 481 CO -0.22 0.56 0.65 1.88 0.00 0.00 0.00 179.25 182.13 3mw9 h TYR 482 N -0.25 1.21 0.15 0.00 -1.99 -0.73 -1.06 116.97 114.30 3mw9 h TYR 482 Ca -0.21 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.57 3mw9 h TYR 482 Cb 1.78 -0.40 -0.03 0.00 2.00 0.00 0.00 36.73 40.07 3mw9 h TYR 482 CO 0.16 0.65 -0.27 0.28 -0.00 0.00 0.00 178.16 178.99 3mw9 h VAL 483 N 1.21 0.41 -0.54 -2.88 2.07 -0.78 0.66 116.25 116.40 3mw9 h VAL 483 Ca 0.42 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.04 3mw9 h VAL 483 Cb 0.11 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 3mw9 h VAL 483 CO -0.16 0.00 0.08 0.78 0.02 0.00 0.00 177.57 178.30 3mw9 h ASN 484 N -0.50 -0.06 -0.46 0.57 2.35 -1.32 -0.98 115.58 115.18 3mw9 h ASN 484 Ca 0.02 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3mw9 h ASN 484 Cb 0.52 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3mw9 h ASN 484 CO -0.14 -0.01 0.03 0.00 -1.65 0.00 0.00 177.43 175.67 3mw9 h ALA 485 N 1.44 0.61 -0.56 -0.83 0.00 -0.14 -2.39 119.26 117.39 3mw9 h ALA 485 Ca 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mw9 h ALA 485 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3mw9 h ALA 485 CO -0.38 0.38 0.24 0.82 0.00 0.00 0.00 179.25 180.30 3mw9 h ILE 486 N 0.64 1.22 -0.66 0.00 2.04 0.57 -1.48 117.51 119.83 3mw9 h ILE 486 Ca 0.13 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3mw9 h ILE 486 Cb 0.45 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3mw9 h ILE 486 CO 0.02 0.26 0.41 -0.08 0.00 0.00 0.00 178.15 178.75 3mw9 h GLU 487 N 0.76 0.77 -0.35 2.37 4.81 -1.01 0.16 114.58 122.10 3mw9 h GLU 487 Ca 0.19 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3mw9 h GLU 487 Cb 0.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3mw9 h GLU 487 CO -0.02 0.51 -0.25 0.87 -0.73 0.00 0.00 179.01 179.39 3mw9 h LYS 488 N 0.79 0.78 0.05 1.92 1.57 -1.04 -2.07 116.57 118.56 3mw9 h LYS 488 Ca 0.27 -0.37 -0.24 0.00 -1.87 0.00 0.00 60.65 58.43 3mw9 h LYS 488 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3mw9 h LYS 488 CO -0.12 1.00 -1.05 0.28 -0.57 0.00 0.00 179.45 178.99 3mw9 h VAL 489 N 0.56 1.43 -0.13 0.50 2.07 -1.15 -3.15 116.25 116.39 3mw9 h VAL 489 Ca 0.07 -2.66 0.02 0.00 0.82 0.00 0.00 66.70 64.94 3mw9 h VAL 489 Cb 0.81 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3mw9 h VAL 489 CO 0.07 0.79 -0.00 0.15 0.02 0.00 0.00 177.57 178.59 3mw9 h PHE 490 N 0.17 -0.01 -0.81 1.57 3.57 -0.65 -2.59 116.94 118.20 3mw9 h PHE 490 Ca -0.10 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.54 3mw9 h PHE 490 Cb 1.72 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 40.39 3mw9 h PHE 490 CO 0.06 -0.02 0.40 -0.09 -2.23 0.00 0.00 178.31 176.44 3mw9 h ARG 491 N 0.04 0.59 0.19 1.11 2.43 -1.40 0.09 114.38 117.42 3mw9 h ARG 491 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3mw9 h ARG 491 Cb 0.07 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3mw9 h ARG 491 CO -0.10 0.39 -0.11 0.28 -1.51 0.00 0.00 179.97 178.92 3mw9 h VAL 492 N 0.60 0.77 -0.42 0.20 2.07 -1.44 -1.83 116.25 116.21 3mw9 h VAL 492 Ca 0.43 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.91 3mw9 h VAL 492 Cb 0.58 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3mw9 h VAL 492 CO -0.35 0.00 0.08 1.88 0.02 0.00 0.00 177.57 179.20 3mw9 h TYR 493 N -0.28 0.65 0.74 1.57 -1.99 -1.05 -2.52 116.97 114.08 3mw9 h TYR 493 Ca -0.02 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 3mw9 h TYR 493 Cb 0.23 -0.19 0.01 0.00 2.00 0.00 0.00 36.73 38.78 3mw9 h TYR 493 CO -0.08 0.58 -0.35 -0.97 -0.00 0.00 0.00 178.16 177.33 3mw9 h ASN 494 N 0.62 -0.84 0.00 3.88 -0.00 -0.83 -1.88 115.58 116.53 3mw9 h ASN 494 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 3mw9 h ASN 494 Cb 0.27 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 3mw9 h ASN 494 CO 0.00 -0.54 0.00 -0.62 -0.00 0.00 0.00 177.43 176.27 3mw9 n GLU 495 N -4.97 0.69 -0.03 6.67 1.02 -0.70 -2.62 120.64 120.70 3mw9 n GLU 495 Ca -0.12 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.09 3mw9 n GLU 495 Cb 0.39 -1.08 0.08 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.58 2.45 -1.13 0.62 0.00 -0.95 -4.95 120.51 115.96 3mw9 n ALA 496 Ca 0.03 -0.68 -0.04 0.00 0.00 0.00 0.00 53.44 52.74 3mw9 n ALA 496 Cb 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 0.83 0.71 5.37 0.00 0.00 -1.08 -4.50 105.19 106.53 3mw9 n GLY 497 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.79 0.00 -3.54 1.61 0.31 -0.72 -4.74 118.33 108.46 3mw9 n VAL 498 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 3mw9 n VAL 498 Cb 0.19 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.03 -1.13 2.52 -1.32 -1.26 -4.99 115.64 109.49 3mw9 s THR 499 Ca 0.00 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 59.97 3mw9 s THR 499 Cb 0.00 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 3mw9 s THR 499 CO 0.00 -0.16 1.88 0.72 -2.21 0.00 0.00 174.62 174.85 3mw9 s PHE 500 N -3.48 2.08 -2.00 9.09 -0.12 -1.26 -5.22 117.98 117.07 3mw9 s PHE 500 Ca 0.00 0.12 0.14 0.00 -0.05 0.00 0.00 56.93 57.14 3mw9 s PHE 500 Cb 0.00 -4.16 0.84 0.00 -0.63 0.00 0.00 43.02 39.07 3mw9 s PHE 500 CO -0.10 -1.45 1.26 2.41 -0.05 0.00 0.00 175.22 177.29