#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wm3 s LYS 4 N 0.00 4.41 0.42 -0.67 1.02 -1.26 -5.00 119.74 118.65 2wm3 s LYS 4 Ca 0.00 2.09 -0.23 0.00 0.02 0.00 0.00 55.97 57.84 2wm3 s LYS 4 Cb 0.00 -3.15 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 2wm3 s LYS 4 CO 0.00 -0.17 1.07 0.15 -0.92 0.00 0.00 175.35 175.47 2wm3 s LYS 5 N -0.89 4.07 -0.18 1.68 1.02 -1.26 -4.67 119.74 119.51 2wm3 s LYS 5 Ca 0.52 1.54 -0.11 0.00 0.02 0.00 0.00 55.97 57.94 2wm3 s LYS 5 Cb -0.37 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 2wm3 s LYS 5 CO 0.44 -0.23 0.19 -1.17 -0.92 0.00 0.00 175.35 173.67 2wm3 s LEU 6 N -2.77 4.24 -0.18 3.17 2.96 -1.26 -0.98 118.68 123.85 2wm3 s LEU 6 Ca 0.59 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2wm3 s LEU 6 Cb -0.22 -2.20 -0.00 0.00 0.50 0.00 0.00 46.19 44.27 2wm3 s LEU 6 CO 0.28 0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.67 2wm3 s VAL 7 N 0.30 2.91 -0.22 1.68 1.01 0.22 -0.72 120.40 125.59 2wm3 s VAL 7 Ca 0.12 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2wm3 s VAL 7 Cb -0.12 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2wm3 s VAL 7 CO 0.01 0.48 0.55 -0.69 0.00 0.00 0.00 175.10 175.45 2wm3 s VAL 8 N 1.09 5.07 -0.29 2.92 1.01 -0.55 -1.76 120.40 127.90 2wm3 s VAL 8 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2wm3 s VAL 8 Cb -0.14 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2wm3 s VAL 8 CO -0.03 0.14 0.01 -0.69 0.00 0.00 0.00 175.10 174.53 2wm3 s VAL 9 N 1.88 3.28 0.50 2.92 1.01 0.75 -1.31 120.40 129.44 2wm3 s VAL 9 Ca 0.25 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2wm3 s VAL 9 Cb -0.16 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2wm3 s VAL 9 CO 0.10 0.01 0.93 -0.36 0.00 0.00 0.00 175.10 175.78 2wm3 s PHE 10 N 1.35 3.48 -0.97 5.22 0.40 -0.50 -2.19 117.98 124.76 2wm3 s PHE 10 Ca -0.01 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.64 2wm3 s PHE 10 Cb -0.18 -2.68 0.00 0.00 0.51 0.00 0.00 43.02 40.66 2wm3 s PHE 10 CO -0.01 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 175.99 2wm3 n GLY 11 N -1.65 1.02 0.26 4.36 0.00 -1.25 -4.13 105.19 103.79 2wm3 n GLY 11 Ca 0.05 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2wm3 n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wm3 h GLY 12 N 0.00 0.00 1.68 -0.02 0.00 -1.74 -0.27 103.07 102.72 2wm3 h GLY 12 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2wm3 h GLY 12 CO 0.28 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.52 2wm3 n THR 13 N -4.49 0.10 -3.45 4.70 -2.24 -1.26 -2.94 114.28 104.70 2wm3 n THR 13 Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wm3 n THR 13 Cb 0.09 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2wm3 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wm3 n GLY 14 N 1.14 3.37 0.15 3.38 0.00 -0.13 -4.92 105.19 108.18 2wm3 n GLY 14 Ca 0.12 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 2wm3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wm3 h ALA 15 N 0.71 -0.28 0.55 4.61 0.00 -1.90 -1.11 119.26 121.84 2wm3 h ALA 15 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2wm3 h ALA 15 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wm3 h ALA 15 CO 0.00 -0.40 -0.26 1.96 0.00 0.00 0.00 179.25 180.55 2wm3 h GLN 16 N -0.80 -0.71 -0.03 0.00 4.20 -1.87 -2.59 115.11 113.32 2wm3 h GLN 16 Ca -0.03 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2wm3 h GLN 16 Cb 0.51 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2wm3 h GLN 16 CO 0.05 -0.42 -0.25 0.78 -0.67 0.00 0.00 178.83 178.31 2wm3 h GLY 17 N -1.10 0.06 1.03 3.46 0.00 -1.67 -1.86 103.07 102.98 2wm3 h GLY 17 Ca -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2wm3 h GLY 17 CO 0.12 0.04 0.06 -1.33 0.00 0.00 0.00 176.54 175.43 2wm3 h GLY 18 N 0.82 1.04 0.95 4.60 0.00 -0.96 0.19 103.07 109.70 2wm3 h GLY 18 Ca 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 2wm3 h GLY 18 CO 0.03 0.67 0.13 0.23 0.00 0.00 0.00 176.54 177.60 2wm3 h SER 19 N 0.85 0.62 0.07 0.19 0.87 -1.01 -0.94 113.55 114.20 2wm3 h SER 19 Ca 0.17 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2wm3 h SER 19 Cb 0.47 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2wm3 h SER 19 CO 0.02 0.66 -0.03 0.58 -0.53 0.00 0.00 176.83 177.53 2wm3 h VAL 20 N 0.55 1.02 -0.29 2.23 2.07 -1.14 -1.83 116.25 118.87 2wm3 h VAL 20 Ca 0.14 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2wm3 h VAL 20 Cb 0.26 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2wm3 h VAL 20 CO -0.00 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.77 2wm3 h ALA 21 N 0.71 0.34 -0.55 1.67 0.00 -0.55 -1.15 119.26 119.74 2wm3 h ALA 21 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2wm3 h ALA 21 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2wm3 h ALA 21 CO 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 179.25 178.99 2wm3 h ARG 22 N 0.26 0.94 -0.27 0.00 3.08 -1.14 -1.39 114.38 115.86 2wm3 h ARG 22 Ca 0.13 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wm3 h ARG 22 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wm3 h ARG 22 CO -0.11 0.92 0.15 1.15 -1.07 0.00 0.00 179.97 181.01 2wm3 h THR 23 N 0.87 1.11 -0.57 2.04 2.02 -1.10 -1.13 112.91 116.14 2wm3 h THR 23 Ca 0.16 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2wm3 h THR 23 Cb 0.50 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2wm3 h THR 23 CO 0.02 0.11 0.09 -0.07 0.37 0.00 0.00 175.52 176.04 2wm3 h LEU 24 N 0.32 0.88 -0.46 2.58 4.07 -1.00 -1.14 115.31 120.57 2wm3 h LEU 24 Ca 0.09 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.80 2wm3 h LEU 24 Cb 0.04 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2wm3 h LEU 24 CO -0.02 0.89 0.03 -0.07 -1.08 0.00 0.00 178.44 178.19 2wm3 h LEU 25 N 0.87 0.77 -0.76 1.67 3.38 -1.12 -0.05 115.31 120.08 2wm3 h LEU 25 Ca 0.18 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2wm3 h LEU 25 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wm3 h LEU 25 CO 0.01 0.86 -0.08 -0.33 0.09 0.00 0.00 178.44 178.99 2wm3 h GLU 26 N 0.64 0.86 -0.14 1.13 5.08 -1.07 -3.20 114.58 117.87 2wm3 h GLU 26 Ca 0.13 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2wm3 h GLU 26 Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wm3 h GLU 26 CO 0.02 0.91 -0.27 0.22 -1.00 0.00 0.00 179.01 178.88 2wm3 h ASP 27 N 0.78 0.49 0.00 1.42 3.58 -1.04 -3.48 116.42 118.16 2wm3 h ASP 27 Ca 0.13 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2wm3 h ASP 27 Cb 0.58 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2wm3 h ASP 27 CO 0.04 0.95 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2wm3 n GLY 28 N 0.41 1.26 0.28 -0.78 0.00 -0.05 -4.92 105.19 101.39 2wm3 n GLY 28 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2wm3 n GLY 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wm3 h THR 29 N 0.00 1.24 -3.45 2.61 2.02 -1.92 -3.45 112.91 109.96 2wm3 h THR 29 Ca 0.00 -0.82 -0.66 0.00 0.77 0.00 0.00 66.41 65.70 2wm3 h THR 29 Cb 0.00 0.61 -0.14 0.00 -1.74 0.00 0.00 68.15 66.88 2wm3 h THR 29 CO 0.00 0.31 -0.68 -0.36 0.37 0.00 0.00 175.52 175.17 2wm3 s PHE 30 N -5.43 2.96 0.43 3.16 0.08 -1.26 -4.36 117.98 113.55 2wm3 s PHE 30 Ca -0.13 -0.01 -0.22 0.00 0.12 0.00 0.00 56.93 56.69 2wm3 s PHE 30 Cb 0.13 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.90 2wm3 s PHE 30 CO 0.81 0.44 1.01 -1.59 -0.10 0.00 0.00 175.22 175.79 2wm3 s LYS 31 N -1.81 4.11 -0.11 0.44 -2.85 -0.15 -4.81 119.74 114.56 2wm3 s LYS 31 Ca 0.21 1.35 0.02 0.00 -1.00 0.00 0.00 55.97 56.55 2wm3 s LYS 31 Cb -0.11 -2.34 0.01 0.00 -2.06 0.00 0.00 37.83 33.33 2wm3 s LYS 31 CO 0.12 -0.16 -0.16 0.08 0.10 0.00 0.00 175.35 175.33 2wm3 s VAL 32 N -1.88 1.56 -0.20 1.79 1.01 -1.26 -0.61 120.40 120.81 2wm3 s VAL 32 Ca 0.61 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wm3 s VAL 32 Cb -0.17 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2wm3 s VAL 32 CO 0.21 0.45 -0.09 -0.60 0.00 0.00 0.00 175.10 175.08 2wm3 s ARG 33 N 0.92 3.28 -0.10 2.72 3.52 -0.72 -0.97 118.95 127.59 2wm3 s ARG 33 Ca -0.08 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 2wm3 s ARG 33 Cb -0.15 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2wm3 s ARG 33 CO -0.01 -0.18 0.27 0.08 -0.81 0.00 0.00 175.30 174.65 2wm3 s VAL 34 N 1.37 5.30 -0.19 7.11 1.01 0.64 -0.18 120.40 135.45 2wm3 s VAL 34 Ca 0.05 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 2wm3 s VAL 34 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2wm3 s VAL 34 CO -0.05 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 174.93 2wm3 s VAL 35 N -0.44 4.66 0.00 2.92 1.01 -0.93 -0.87 120.40 126.76 2wm3 s VAL 35 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 2wm3 s VAL 35 Cb -0.14 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2wm3 s VAL 35 CO 0.06 0.45 0.11 0.28 0.00 0.00 0.00 175.10 176.00 2wm3 s THR 36 N 0.52 0.09 -0.11 3.92 -1.32 -0.83 -3.89 115.64 114.01 2wm3 s THR 36 Ca 0.03 -0.70 0.30 0.00 -1.21 0.00 0.00 61.69 60.10 2wm3 s THR 36 Cb -0.13 -0.40 0.35 0.00 -1.51 0.00 0.00 72.50 70.81 2wm3 s THR 36 CO 0.01 -0.39 1.88 0.03 -2.21 0.00 0.00 174.62 173.95 2wm3 h ARG 37 N 4.38 0.00 -2.37 7.08 3.08 -1.85 -0.55 114.38 124.15 2wm3 h ARG 37 Ca -0.31 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.22 2wm3 h ARG 37 Cb 1.20 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.88 2wm3 h ARG 37 CO 0.41 0.00 -0.83 1.21 -1.07 0.00 0.00 179.97 179.69 2wm3 s ASN 38 N -5.30 2.22 0.33 7.04 2.47 -1.26 -4.72 114.94 115.72 2wm3 s ASN 38 Ca 0.03 -2.17 0.20 0.00 0.42 0.00 0.00 52.86 51.33 2wm3 s ASN 38 Cb 0.09 -0.13 1.08 0.00 -1.45 0.00 0.00 41.25 40.84 2wm3 s ASN 38 CO 0.51 -0.27 1.58 -2.65 -3.72 0.00 0.00 177.10 172.55 2wm3 n PRO 39 N 3.88 0.13 0.08 0.43 -0.02 -1.26 -1.50 135.00 136.74 2wm3 n PRO 39 Ca 0.15 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2wm3 n PRO 39 Cb 0.41 -2.01 0.39 0.00 -0.02 0.00 0.00 33.50 32.28 2wm3 n PRO 39 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wm3 n ARG 40 N -2.22 0.23 -1.64 -0.52 3.00 -1.26 -4.14 116.66 110.10 2wm3 n ARG 40 Ca -0.01 0.16 -0.41 0.00 -0.01 0.00 0.00 57.85 57.57 2wm3 n ARG 40 Cb 0.11 -1.74 0.01 0.00 0.00 0.00 0.00 32.46 30.84 2wm3 n ARG 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wm3 n LYS 41 N -2.12 1.53 -0.25 5.56 5.02 -0.56 -4.77 118.16 122.56 2wm3 n LYS 41 Ca 0.05 0.55 0.05 0.00 -2.02 0.00 0.00 58.31 56.94 2wm3 n LYS 41 Cb 0.42 -2.15 0.19 0.00 -0.02 0.00 0.00 35.03 33.47 2wm3 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wm3 h LYS 42 N 1.71 0.38 -0.48 1.97 3.11 -1.90 -0.99 116.57 120.38 2wm3 h LYS 42 Ca -0.45 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.32 2wm3 h LYS 42 Cb 1.32 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.45 2wm3 h LYS 42 CO 0.58 0.25 0.13 0.00 -2.81 0.00 0.00 179.45 177.60 2wm3 h ALA 43 N 1.56 1.34 -0.18 5.00 0.00 -1.92 -0.72 119.26 124.34 2wm3 h ALA 43 Ca 0.42 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2wm3 h ALA 43 Cb 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wm3 h ALA 43 CO -0.43 0.48 -0.19 0.00 0.00 0.00 0.00 179.25 179.10 2wm3 h ALA 44 N 1.45 0.26 -0.95 0.00 0.00 -1.60 -2.46 119.26 115.97 2wm3 h ALA 44 Ca 0.16 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2wm3 h ALA 44 Cb 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2wm3 h ALA 44 CO -0.01 0.19 0.62 0.87 0.00 0.00 0.00 179.25 180.92 2wm3 h LYS 45 N 0.10 1.14 -0.41 0.00 6.56 -0.92 -1.26 116.57 121.78 2wm3 h LYS 45 Ca 0.03 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 2wm3 h LYS 45 Cb 0.74 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 2wm3 h LYS 45 CO 0.05 0.75 0.16 0.93 -2.06 0.00 0.00 179.45 179.29 2wm3 h GLU 46 N 1.17 0.60 -0.94 3.15 3.07 -1.10 -0.84 114.58 119.70 2wm3 h GLU 46 Ca 0.39 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.19 2wm3 h GLU 46 Cb 0.05 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 27.81 2wm3 h GLU 46 CO -0.14 0.57 0.61 -0.07 -1.40 0.00 0.00 179.01 178.57 2wm3 h LEU 47 N 0.51 1.00 -0.51 1.33 3.38 -1.11 -1.22 115.31 118.70 2wm3 h LEU 47 Ca 0.14 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2wm3 h LEU 47 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2wm3 h LEU 47 CO -0.01 0.67 0.18 -0.09 0.09 0.00 0.00 178.44 179.28 2wm3 h ARG 48 N 1.16 0.77 -0.21 1.13 2.43 -0.95 -1.19 114.38 117.51 2wm3 h ARG 48 Ca 0.38 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2wm3 h ARG 48 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2wm3 h ARG 48 CO -0.13 0.70 0.05 -0.07 -1.51 0.00 0.00 179.97 179.00 2wm3 h LEU 49 N 0.68 0.27 -0.21 3.80 3.38 -0.74 -2.15 115.31 120.33 2wm3 h LEU 49 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wm3 h LEU 49 Cb 0.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wm3 h LEU 49 CO -0.01 0.28 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 2wm3 n GLN 50 N -4.41 1.11 0.00 1.13 6.02 -0.50 -4.89 117.38 115.84 2wm3 n GLN 50 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 2wm3 n GLN 50 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2wm3 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wm3 n GLY 51 N 1.06 0.84 3.79 1.08 0.00 -0.81 -4.94 105.19 106.20 2wm3 n GLY 51 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2wm3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wm3 s ALA 52 N -2.00 3.05 -0.06 4.61 0.00 -0.51 -4.77 121.76 122.07 2wm3 s ALA 52 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 2wm3 s ALA 52 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2wm3 s ALA 52 CO 0.00 -0.23 0.84 -2.00 0.00 0.00 0.00 175.76 174.37 2wm3 s GLU 53 N -2.64 4.46 -0.12 0.00 2.12 -0.14 -4.31 118.70 118.07 2wm3 s GLU 53 Ca 0.60 1.12 -0.01 0.00 0.36 0.00 0.00 54.97 57.04 2wm3 s GLU 53 Cb -0.21 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 2wm3 s GLU 53 CO 0.26 -0.06 -0.10 0.08 -0.54 0.00 0.00 175.26 174.90 2wm3 s VAL 54 N 1.15 3.31 0.08 3.70 1.01 -1.26 -0.26 120.40 128.14 2wm3 s VAL 54 Ca 0.43 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2wm3 s VAL 54 Cb -0.19 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2wm3 s VAL 54 CO 0.21 0.53 -0.16 0.68 0.00 0.00 0.00 175.10 176.35 2wm3 s VAL 55 N 0.13 1.33 -0.01 2.92 -7.23 -0.05 -4.95 120.40 112.53 2wm3 s VAL 55 Ca -0.05 -1.41 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 2wm3 s VAL 55 Cb -0.14 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2wm3 s VAL 55 CO 0.04 -0.18 0.78 -1.58 -0.31 0.00 0.00 175.10 173.85 2wm3 s GLN 56 N -1.85 4.49 -0.23 4.82 -0.44 -1.26 -1.97 119.66 123.22 2wm3 s GLN 56 Ca 0.01 1.06 -0.28 0.00 -2.50 0.00 0.00 55.36 53.65 2wm3 s GLN 56 Cb -0.10 -3.42 0.14 0.00 -1.64 0.00 0.00 33.01 28.00 2wm3 s GLN 56 CO 0.03 0.11 1.11 0.20 0.50 0.00 0.00 175.29 177.25 2wm3 s GLY 57 N 0.55 -0.11 -0.14 2.59 0.00 -0.21 -4.89 107.32 105.11 2wm3 s GLY 57 Ca 0.41 2.49 0.01 0.00 0.00 0.00 0.00 44.72 47.63 2wm3 s GLY 57 CO 0.22 1.34 -0.16 -0.35 0.00 0.00 0.00 173.10 174.16 2wm3 s ASP 58 N -0.63 3.67 0.34 1.64 -1.08 -1.26 -3.29 116.67 116.05 2wm3 s ASP 58 Ca 0.02 -0.45 0.22 0.00 -0.52 0.00 0.00 52.55 51.82 2wm3 s ASP 58 Cb -0.02 -1.56 1.19 0.00 -1.46 0.00 0.00 42.92 41.07 2wm3 s ASP 58 CO -0.04 0.11 1.66 1.56 0.52 0.00 0.00 175.17 178.98 2wm3 h GLN 59 N 7.11 0.00 0.00 4.34 4.20 -1.99 -0.13 115.11 128.64 2wm3 h GLN 59 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2wm3 h GLN 59 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2wm3 h GLN 59 CO 0.56 0.00 0.00 -0.44 -0.67 0.00 0.00 178.83 178.28 2wm3 h ASP 60 N 0.00 0.00 -3.49 1.46 3.32 -1.95 -3.43 116.42 112.33 2wm3 h ASP 60 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 2wm3 h ASP 60 Cb 0.05 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.34 2wm3 h ASP 60 CO 0.00 0.00 -0.47 -0.62 -1.72 0.00 0.00 179.24 176.43 2wm3 s ASP 61 N -5.68 5.75 0.26 6.45 -1.08 -0.06 -4.97 116.67 117.34 2wm3 s ASP 61 Ca 0.05 -1.26 -0.03 0.00 -0.52 0.00 0.00 52.55 50.79 2wm3 s ASP 61 Cb 0.08 -2.03 0.40 0.00 -1.46 0.00 0.00 42.92 39.91 2wm3 s ASP 61 CO 0.59 -0.49 1.87 -0.61 0.52 0.00 0.00 175.17 177.04 2wm3 h GLN 62 N 8.47 1.05 -0.24 4.34 4.15 -1.85 -1.06 115.11 129.97 2wm3 h GLN 62 Ca -0.25 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 58.99 2wm3 h GLN 62 Cb 1.10 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 2wm3 h GLN 62 CO 0.74 0.70 -0.32 0.28 -1.93 0.00 0.00 178.83 178.29 2wm3 h VAL 63 N 1.09 1.31 -0.32 2.39 2.07 -1.95 -2.01 116.25 118.83 2wm3 h VAL 63 Ca 0.42 -1.51 -0.17 0.00 0.82 0.00 0.00 66.70 66.26 2wm3 h VAL 63 Cb 0.21 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2wm3 h VAL 63 CO -0.19 0.48 -0.47 0.40 0.02 0.00 0.00 177.57 177.81 2wm3 h ILE 64 N 0.36 1.28 -0.67 4.57 2.04 -1.87 -2.59 117.51 120.63 2wm3 h ILE 64 Ca 0.03 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2wm3 h ILE 64 Cb 0.90 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 2wm3 h ILE 64 CO 0.08 0.54 0.39 0.24 0.00 0.00 0.00 178.15 179.39 2wm3 h MET 65 N 0.67 0.92 -0.36 2.37 2.86 -1.09 -0.36 114.93 119.95 2wm3 h MET 65 Ca 0.04 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2wm3 h MET 65 Cb 1.06 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 2wm3 h MET 65 CO 0.11 0.66 0.12 1.49 1.06 0.00 0.00 176.91 180.34 2wm3 h GLU 66 N 0.93 0.56 -0.81 1.72 4.81 -1.12 -1.31 114.58 119.37 2wm3 h GLU 66 Ca 0.24 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2wm3 h GLU 66 Cb -0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2wm3 h GLU 66 CO -0.04 0.57 0.53 -0.07 -0.73 0.00 0.00 179.01 179.27 2wm3 h LEU 67 N 0.43 0.87 -0.82 1.64 3.38 -1.07 -2.23 115.31 117.51 2wm3 h LEU 67 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2wm3 h LEU 67 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wm3 h LEU 67 CO -0.00 0.61 -0.45 0.00 0.09 0.00 0.00 178.44 178.68 2wm3 h ALA 68 N 1.52 1.00 -0.00 1.53 0.00 -0.68 -3.12 119.26 119.50 2wm3 h ALA 68 Ca 0.32 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wm3 h ALA 68 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wm3 h ALA 68 CO -0.09 0.63 -0.42 1.28 0.00 0.00 0.00 179.25 180.66 2wm3 n LEU 69 N -3.99 0.77 -4.73 0.00 4.77 -0.53 -4.90 117.00 108.40 2wm3 n LEU 69 Ca -0.02 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 2wm3 n LEU 69 Cb 0.52 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2wm3 n LEU 69 CO 0.43 0.16 1.22 0.20 -1.33 0.00 0.00 177.39 178.07 2wm3 s ASN 70 N -2.78 6.54 0.00 -1.43 0.01 -0.88 -1.88 114.94 114.52 2wm3 s ASN 70 Ca 0.17 2.72 0.00 0.00 -0.71 0.00 0.00 52.86 55.04 2wm3 s ASN 70 Cb 0.18 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2wm3 s ASN 70 CO 0.63 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 2wm3 n GLY 71 N 3.06 1.84 3.76 0.66 0.00 -1.26 -5.02 105.19 108.23 2wm3 n GLY 71 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wm3 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wm3 s ALA 72 N -3.30 3.51 0.07 4.61 0.00 -0.79 -4.62 121.76 121.23 2wm3 s ALA 72 Ca 0.00 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 2wm3 s ALA 72 Cb 0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 2wm3 s ALA 72 CO 0.00 -0.55 1.36 -0.92 0.00 0.00 0.00 175.76 175.65 2wm3 h TYR 73 N 4.24 0.64 -3.48 0.00 3.20 -1.28 -3.42 116.97 116.87 2wm3 h TYR 73 Ca -0.47 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.16 2wm3 h TYR 73 Cb 1.22 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.26 2wm3 h TYR 73 CO 0.59 0.90 -0.05 0.00 -1.64 0.00 0.00 178.16 177.95 2wm3 s ALA 74 N -4.24 -0.57 -0.00 1.82 0.00 -1.07 -1.60 121.76 116.10 2wm3 s ALA 74 Ca -0.13 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 2wm3 s ALA 74 Cb 0.07 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.12 2wm3 s ALA 74 CO 0.80 -0.83 0.03 -0.08 0.00 0.00 0.00 175.76 175.68 2wm3 s THR 75 N -3.95 0.05 -0.32 0.00 -1.32 -1.05 -1.48 115.64 107.58 2wm3 s THR 75 Ca 0.16 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.13 2wm3 s THR 75 Cb -0.01 -0.19 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 2wm3 s THR 75 CO 0.03 -0.22 0.19 0.12 -2.21 0.00 0.00 174.62 172.54 2wm3 s PHE 76 N -0.65 3.20 -0.19 9.09 5.36 -0.42 -1.17 117.98 133.20 2wm3 s PHE 76 Ca -0.07 -0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 55.58 2wm3 s PHE 76 Cb -0.04 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.22 2wm3 s PHE 76 CO -0.00 -0.36 -0.08 0.42 -1.46 0.00 0.00 175.22 173.74 2wm3 s ILE 77 N 1.69 3.25 0.00 3.12 1.01 0.28 -1.41 121.20 129.14 2wm3 s ILE 77 Ca 0.06 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2wm3 s ILE 77 Cb -0.17 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2wm3 s ILE 77 CO 0.09 0.46 -0.16 0.54 0.00 0.00 0.00 174.94 175.87 2wm3 s VAL 78 N 1.06 1.25 0.11 2.92 0.11 -1.26 -0.75 120.40 123.84 2wm3 s VAL 78 Ca 0.00 -0.79 0.10 0.00 -2.93 0.00 0.00 61.98 58.36 2wm3 s VAL 78 Cb -0.15 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2wm3 s VAL 78 CO -0.01 0.26 -0.24 0.42 -3.33 0.00 0.00 175.10 172.20 2wm3 s THR 79 N -0.50 2.01 -0.49 5.04 -4.23 -1.26 -4.61 115.64 111.60 2wm3 s THR 79 Ca 0.05 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 2wm3 s THR 79 Cb -0.07 -1.79 0.12 0.00 1.34 0.00 0.00 72.50 72.11 2wm3 s THR 79 CO 0.00 0.05 0.36 0.21 -0.54 0.00 0.00 174.62 174.70 2wm3 s ASN 80 N -1.92 5.70 0.31 3.99 2.47 -1.26 -4.96 114.94 119.28 2wm3 s ASN 80 Ca 0.11 -1.98 0.05 0.00 0.42 0.00 0.00 52.86 51.45 2wm3 s ASN 80 Cb -0.10 -2.00 0.70 0.00 -1.45 0.00 0.00 41.25 38.39 2wm3 s ASN 80 CO 0.05 -0.67 1.83 0.22 -3.72 0.00 0.00 177.10 174.80 2wm3 h TYR 81 N 8.36 1.02 0.00 0.43 3.20 -1.93 -2.50 116.97 125.55 2wm3 h TYR 81 Ca -0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2wm3 h TYR 81 Cb 1.07 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2wm3 h TYR 81 CO 0.65 0.34 0.00 0.91 -1.64 0.00 0.00 178.16 178.42 2wm3 n TRP 82 N -4.64 0.00 -0.05 -3.82 7.02 -1.26 -0.67 117.44 114.02 2wm3 n TRP 82 Ca 0.20 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.56 2wm3 n TRP 82 Cb 0.47 -0.39 -0.07 0.00 -2.42 0.00 0.00 31.31 28.90 2wm3 n TRP 82 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2wm3 h GLU 83 N 0.00 0.27 0.00 -0.99 4.57 -1.88 -3.34 114.58 113.22 2wm3 h GLU 83 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2wm3 h GLU 83 Cb 0.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2wm3 h GLU 83 CO 0.00 0.56 0.00 -1.13 -1.18 0.00 0.00 179.01 177.26 2wm3 n SER 84 N -4.71 1.04 -3.96 1.04 3.41 -1.22 -5.01 113.62 104.22 2wm3 n SER 84 Ca -0.06 -1.24 -0.28 0.00 -0.26 0.00 0.00 58.87 57.03 2wm3 n SER 84 Cb 0.25 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2wm3 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wm3 s SER 86 N -3.95 4.26 0.24 0.00 0.15 -1.24 -5.00 113.70 108.16 2wm3 s SER 86 Ca 0.28 -1.34 -0.06 0.00 0.70 0.00 0.00 55.95 55.52 2wm3 s SER 86 Cb -0.15 -1.43 0.27 0.00 -1.71 0.00 0.00 66.02 63.00 2wm3 s SER 86 CO 0.87 -0.21 1.90 -0.61 1.20 0.00 0.00 173.24 176.39 2wm3 h GLN 87 N 7.83 1.15 -0.76 5.44 4.15 -1.90 -1.72 115.11 129.29 2wm3 h GLN 87 Ca -0.18 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 2wm3 h GLN 87 Cb 1.05 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 2wm3 h GLN 87 CO 0.45 0.76 0.47 0.93 -1.93 0.00 0.00 178.83 179.51 2wm3 h GLU 88 N 1.18 1.02 -0.34 1.69 5.08 -1.95 -1.06 114.58 120.19 2wm3 h GLU 88 Ca 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2wm3 h GLU 88 Cb -0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2wm3 h GLU 88 CO -0.11 0.70 0.11 0.37 -1.00 0.00 0.00 179.01 179.09 2wm3 h GLN 89 N 1.03 0.53 -0.48 2.33 4.15 -1.91 -0.80 115.11 119.96 2wm3 h GLN 89 Ca 0.27 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 2wm3 h GLN 89 Cb -0.07 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2wm3 h GLN 89 CO -0.05 0.56 0.12 1.49 -1.93 0.00 0.00 178.83 179.02 2wm3 h GLU 90 N 0.40 0.73 -0.34 1.69 4.81 -0.90 -0.57 114.58 120.39 2wm3 h GLU 90 Ca 0.11 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2wm3 h GLU 90 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2wm3 h GLU 90 CO -0.00 0.65 -0.11 0.28 -0.73 0.00 0.00 179.01 179.10 2wm3 h VAL 91 N 0.71 1.28 -0.61 0.32 2.07 -0.99 -1.61 116.25 117.42 2wm3 h VAL 91 Ca 0.16 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2wm3 h VAL 91 Cb 0.25 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2wm3 h VAL 91 CO -0.00 0.39 0.26 0.50 0.02 0.00 0.00 177.57 178.73 2wm3 h LYS 92 N 0.46 0.90 -0.25 1.57 3.64 -0.65 -0.03 116.57 122.21 2wm3 h LYS 92 Ca 0.08 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2wm3 h LYS 92 Cb 0.63 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2wm3 h LYS 92 CO 0.04 0.75 0.08 1.96 -2.27 0.00 0.00 179.45 180.01 2wm3 h GLN 93 N 0.84 0.38 -0.38 1.90 4.20 -1.06 -0.69 115.11 120.31 2wm3 h GLN 93 Ca 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2wm3 h GLN 93 Cb 0.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2wm3 h GLN 93 CO -0.02 0.46 0.21 0.78 -0.67 0.00 0.00 178.83 179.59 2wm3 h GLY 94 N 0.23 0.57 1.26 3.46 0.00 -1.03 -1.99 103.07 105.58 2wm3 h GLY 94 Ca 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2wm3 h GLY 94 CO -0.00 0.25 -0.00 0.50 0.00 0.00 0.00 176.54 177.28 2wm3 h LYS 95 N 0.49 0.89 -0.27 4.80 1.57 -0.92 -0.93 116.57 122.20 2wm3 h LYS 95 Ca 0.13 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2wm3 h LYS 95 Cb 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2wm3 h LYS 95 CO -0.02 0.89 0.17 1.25 -0.57 0.00 0.00 179.45 181.17 2wm3 h LEU 96 N 0.82 0.29 -0.54 2.94 5.85 -0.96 0.11 115.31 123.81 2wm3 h LEU 96 Ca 0.15 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 2wm3 h LEU 96 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2wm3 h LEU 96 CO 0.02 0.21 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.83 2wm3 h LEU 97 N 0.35 0.74 -0.55 2.25 3.38 -1.15 -1.94 115.31 118.40 2wm3 h LEU 97 Ca 0.10 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2wm3 h LEU 97 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2wm3 h LEU 97 CO -0.03 1.07 0.35 0.00 0.09 0.00 0.00 178.44 179.91 2wm3 h ALA 98 N 0.96 0.71 -0.47 1.53 0.00 -0.98 -0.36 119.26 120.64 2wm3 h ALA 98 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wm3 h ALA 98 Cb 0.97 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2wm3 h ALA 98 CO 0.09 0.09 0.31 -0.44 0.00 0.00 0.00 179.25 179.30 2wm3 h ASP 99 N 0.69 0.54 -0.36 0.00 3.32 -0.75 -0.91 116.42 118.95 2wm3 h ASP 99 Ca 0.21 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2wm3 h ASP 99 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2wm3 h ASP 99 CO -0.08 0.40 0.16 -0.07 -1.72 0.00 0.00 179.24 177.93 2wm3 h LEU 100 N 0.64 0.49 -0.80 1.55 3.38 -1.15 -0.33 115.31 119.09 2wm3 h LEU 100 Ca 0.17 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.08 2wm3 h LEU 100 Cb -0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 2wm3 h LEU 100 CO -0.04 0.51 0.46 0.00 0.09 0.00 0.00 178.44 179.46 2wm3 h ALA 101 N 1.00 1.12 -0.19 1.53 0.00 -0.72 0.32 119.26 122.33 2wm3 h ALA 101 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2wm3 h ALA 101 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wm3 h ALA 101 CO -0.01 0.11 -0.24 -0.09 0.00 0.00 0.00 179.25 179.02 2wm3 h ARG 102 N 0.79 0.50 -0.15 0.00 9.65 -0.94 -1.71 114.38 122.52 2wm3 h ARG 102 Ca 0.38 -0.28 -0.18 0.00 -1.10 0.00 0.00 59.98 58.79 2wm3 h ARG 102 Cb 0.31 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.92 2wm3 h ARG 102 CO -0.23 0.87 -0.61 -0.09 2.80 0.00 0.00 179.97 182.71 2wm3 h ARG 103 N 0.16 0.68 0.00 0.20 2.43 -0.72 -3.13 114.38 114.00 2wm3 h ARG 103 Ca 0.02 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2wm3 h ARG 103 Cb 0.80 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2wm3 h ARG 103 CO 0.06 1.15 0.00 1.28 -1.51 0.00 0.00 179.97 180.95 2wm3 n LEU 104 N -4.09 0.76 -2.22 3.80 4.32 0.11 -4.93 117.00 114.74 2wm3 n LEU 104 Ca -0.07 0.64 -0.14 0.00 -0.02 0.00 0.00 56.01 56.41 2wm3 n LEU 104 Cb 0.66 -0.48 0.04 0.00 -1.62 0.00 0.00 43.42 42.02 2wm3 n LEU 104 CO 0.49 -0.43 0.10 0.61 -1.22 0.00 0.00 177.39 176.95 2wm3 n GLY 105 N 0.50 0.01 3.68 -0.72 0.00 -0.72 -4.99 105.19 102.95 2wm3 n GLY 105 Ca 0.03 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2wm3 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wm3 n LEU 106 N -3.00 3.88 0.12 0.99 4.32 -0.74 -4.92 117.00 117.65 2wm3 n LEU 106 Ca -0.02 1.04 0.01 0.00 -0.02 0.00 0.00 56.01 57.01 2wm3 n LEU 106 Cb 0.55 -1.46 -0.01 0.00 -1.62 0.00 0.00 43.42 40.88 2wm3 n LEU 106 CO 0.36 -0.98 0.36 0.45 -1.22 0.00 0.00 177.39 176.36 2wm3 h HIS 107 N 1.67 0.00 -1.83 -1.77 3.86 -1.55 -3.45 115.15 112.08 2wm3 h HIS 107 Ca -0.48 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2wm3 h HIS 107 Cb 1.31 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.56 2wm3 h HIS 107 CO 0.45 0.58 0.29 -0.47 0.86 0.00 0.00 177.93 179.64 2wm3 s TYR 108 N -2.92 -0.61 -0.05 2.45 5.04 -1.14 -4.74 117.35 115.38 2wm3 s TYR 108 Ca 0.03 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 2wm3 s TYR 108 Cb 0.08 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.76 2wm3 s TYR 108 CO 0.76 -0.40 -0.12 0.08 -1.34 0.00 0.00 175.55 174.53 2wm3 s VAL 109 N -0.34 1.09 -0.31 3.14 1.01 -0.11 -2.52 120.40 122.35 2wm3 s VAL 109 Ca -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2wm3 s VAL 109 Cb -0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 2wm3 s VAL 109 CO 0.02 0.33 0.15 -0.69 0.00 0.00 0.00 175.10 174.91 2wm3 s VAL 110 N 0.40 4.55 -0.14 2.92 1.01 -0.31 -1.20 120.40 127.63 2wm3 s VAL 110 Ca -0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2wm3 s VAL 110 Cb -0.13 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2wm3 s VAL 110 CO 0.02 0.05 -0.03 -0.47 0.00 0.00 0.00 175.10 174.67 2wm3 s TYR 111 N 1.60 3.04 -1.16 5.22 5.04 -0.42 -0.55 117.35 130.12 2wm3 s TYR 111 Ca 0.04 -0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 54.31 2wm3 s TYR 111 Cb -0.17 -1.91 0.12 0.00 0.35 0.00 0.00 41.96 40.35 2wm3 s TYR 111 CO 0.06 0.07 1.46 0.45 -1.34 0.00 0.00 175.55 176.25 2wm3 s SER 112 N 0.09 6.86 0.36 4.32 0.15 0.07 -0.98 113.70 124.56 2wm3 s SER 112 Ca -0.00 -2.49 0.03 0.00 0.70 0.00 0.00 55.95 54.19 2wm3 s SER 112 Cb -0.13 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2wm3 s SER 112 CO 0.03 -1.01 0.40 0.61 1.20 0.00 0.00 173.24 174.47 2wm3 n GLY 113 N 5.04 1.53 3.43 9.45 0.00 -0.78 -4.79 105.19 119.07 2wm3 n GLY 113 Ca 0.37 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 2wm3 n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wm3 s LEU 114 N 0.00 0.23 0.46 0.99 1.43 -1.26 -4.06 118.68 116.47 2wm3 s LEU 114 Ca 0.29 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 2wm3 s LEU 114 Cb -0.02 1.98 -0.08 0.00 0.03 0.00 0.00 46.19 48.10 2wm3 s LEU 114 CO 0.19 -0.97 1.40 -1.61 0.23 0.00 0.00 176.35 175.59 2wm3 s GLU 115 N -3.85 3.66 -1.22 1.70 8.01 -1.26 -2.19 118.70 123.54 2wm3 s GLU 115 Ca 0.07 2.36 -0.20 0.00 0.01 0.00 0.00 54.97 57.21 2wm3 s GLU 115 Cb 0.00 -2.62 0.03 0.00 -4.31 0.00 0.00 34.13 27.24 2wm3 s GLU 115 CO -0.06 -0.82 1.75 1.21 0.01 0.00 0.00 175.26 177.35 2wm3 s ASN 116 N -0.60 6.35 0.20 -0.19 3.84 -1.26 -3.78 114.94 119.50 2wm3 s ASN 116 Ca 0.62 -2.08 -0.11 0.00 0.21 0.00 0.00 52.86 51.50 2wm3 s ASN 116 Cb -0.42 -2.58 0.14 0.00 -0.55 0.00 0.00 41.25 37.83 2wm3 s ASN 116 CO 0.54 -1.67 1.86 0.40 -2.79 0.00 0.00 177.10 175.44 2wm3 h ILE 117 N 5.93 1.19 -0.95 -5.21 2.04 -1.86 -0.30 117.51 118.35 2wm3 h ILE 117 Ca 0.35 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2wm3 h ILE 117 Cb 0.91 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2wm3 h ILE 117 CO 1.40 0.18 0.62 0.50 0.00 0.00 0.00 178.15 180.85 2wm3 h LYS 118 N 0.96 1.19 -0.14 2.37 3.64 -1.77 0.16 116.57 122.98 2wm3 h LYS 118 Ca 0.26 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2wm3 h LYS 118 Cb -0.09 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 2wm3 h LYS 118 CO -0.05 0.79 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.29 2wm3 h LYS 119 N 1.23 0.52 -0.55 1.90 3.64 -1.72 0.52 116.57 122.11 2wm3 h LYS 119 Ca 0.37 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2wm3 h LYS 119 Cb -0.05 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2wm3 h LYS 119 CO -0.11 0.99 0.26 -0.07 -2.27 0.00 0.00 179.45 178.26 2wm3 h LEU 120 N 0.14 0.70 -2.92 5.20 3.38 -0.78 -2.60 115.31 118.43 2wm3 h LEU 120 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wm3 h LEU 120 Cb 1.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2wm3 h LEU 120 CO 0.09 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.56 2wm3 n THR 121 N -4.37 2.06 -3.91 0.22 -2.24 0.52 -4.93 114.28 101.64 2wm3 n THR 121 Ca 0.05 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.48 2wm3 n THR 121 Cb 0.13 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.06 2wm3 n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wm3 n ALA 122 N 0.48 -1.39 -0.68 6.98 0.00 -0.98 -1.56 120.51 123.37 2wm3 n ALA 122 Ca 0.21 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2wm3 n ALA 122 Cb 0.96 -4.04 0.00 0.00 0.00 0.00 0.00 19.45 16.37 2wm3 n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wm3 n GLY 123 N -1.67 0.94 0.07 0.00 0.00 0.18 -4.94 105.19 99.77 2wm3 n GLY 123 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2wm3 n GLY 123 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wm3 h ARG 124 N 3.50 0.04 -5.23 1.61 2.43 -1.48 -3.43 114.38 111.81 2wm3 h ARG 124 Ca 0.00 -0.04 -0.65 0.00 -0.81 0.00 0.00 59.98 58.48 2wm3 h ARG 124 Cb 0.00 0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 29.32 2wm3 h ARG 124 CO 0.00 0.78 -0.70 -0.51 -1.51 0.00 0.00 179.97 178.03 2wm3 s LEU 125 N -8.68 3.06 -0.11 3.80 1.43 -1.26 -5.09 118.68 111.83 2wm3 s LEU 125 Ca -0.17 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2wm3 s LEU 125 Cb -0.00 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.48 2wm3 s LEU 125 CO 0.70 0.12 -0.22 0.00 0.23 0.00 0.00 176.35 177.17 2wm3 s ALA 126 N 0.65 2.13 -0.24 4.21 0.00 -1.26 -2.27 121.76 124.97 2wm3 s ALA 126 Ca -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 2wm3 s ALA 126 Cb -0.15 -0.85 0.08 0.00 0.00 0.00 0.00 23.12 22.20 2wm3 s ALA 126 CO 0.02 0.18 0.09 0.00 0.00 0.00 0.00 175.76 176.05 2wm3 s ALA 127 N 0.52 0.79 0.28 0.00 0.00 -1.26 -4.48 121.76 117.60 2wm3 s ALA 127 Ca -0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2wm3 s ALA 127 Cb -0.17 -1.28 0.43 0.00 0.00 0.00 0.00 23.12 22.10 2wm3 s ALA 127 CO 0.05 -1.41 1.90 0.00 0.00 0.00 0.00 175.76 176.31 2wm3 h ALA 128 N 8.33 1.42 0.00 0.00 0.00 -1.98 0.49 119.26 127.51 2wm3 h ALA 128 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wm3 h ALA 128 Cb 1.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wm3 h ALA 128 CO 0.38 0.45 0.00 1.12 0.00 0.00 0.00 179.25 181.20 2wm3 h HIS 129 N 1.16 0.00 0.00 0.00 2.07 -1.97 -3.09 115.15 113.32 2wm3 h HIS 129 Ca 0.41 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.72 2wm3 h HIS 129 Cb 0.12 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.07 2wm3 h HIS 129 CO -0.00 0.00 -1.24 1.19 -3.07 0.00 0.00 177.93 174.81 2wm3 n PHE 130 N -3.07 0.89 -0.32 6.12 3.01 -0.46 -4.54 117.46 119.10 2wm3 n PHE 130 Ca 0.01 0.39 -0.02 0.00 1.01 0.00 0.00 57.45 58.83 2wm3 n PHE 130 Cb 0.30 -1.02 0.10 0.00 -0.01 0.00 0.00 39.48 38.85 2wm3 n PHE 130 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2wm3 h ASP 131 N -1.00 0.96 -0.29 4.37 3.32 -0.97 -0.80 116.42 122.01 2wm3 h ASP 131 Ca -0.31 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.73 2wm3 h ASP 131 Cb 1.18 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2wm3 h ASP 131 CO -0.19 0.67 0.18 1.23 -1.72 0.00 0.00 179.24 179.42 2wm3 h GLY 132 N 1.12 0.40 1.34 2.75 0.00 -1.80 -1.69 103.07 105.20 2wm3 h GLY 132 Ca 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2wm3 h GLY 132 CO -0.09 0.14 0.18 0.50 0.00 0.00 0.00 176.54 177.26 2wm3 h LYS 133 N 0.38 0.83 -0.39 4.80 1.57 -1.60 -1.67 116.57 120.50 2wm3 h LYS 133 Ca 0.11 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2wm3 h LYS 133 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2wm3 h LYS 133 CO -0.03 0.72 -0.21 0.78 -0.57 0.00 0.00 179.45 180.14 2wm3 h GLY 134 N 0.96 0.83 1.04 3.86 0.00 -0.68 0.21 103.07 109.29 2wm3 h GLY 134 Ca 0.19 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2wm3 h GLY 134 CO -0.01 0.64 0.35 -2.09 0.00 0.00 0.00 176.54 175.42 2wm3 h GLU 135 N 0.67 1.17 -0.33 4.80 4.81 -0.91 -2.88 114.58 121.92 2wm3 h GLU 135 Ca 0.10 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2wm3 h GLU 135 Cb 0.72 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2wm3 h GLU 135 CO 0.06 0.93 -0.06 0.28 -0.73 0.00 0.00 179.01 179.49 2wm3 h VAL 136 N 1.15 1.27 -0.51 0.32 2.07 -0.75 -1.81 116.25 117.99 2wm3 h VAL 136 Ca 0.27 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.80 2wm3 h VAL 136 Cb 0.17 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 2wm3 h VAL 136 CO -0.03 0.35 -0.13 -0.33 0.02 0.00 0.00 177.57 177.46 2wm3 h GLU 137 N 0.40 -0.01 -0.34 1.57 5.08 -0.86 -1.34 114.58 119.09 2wm3 h GLU 137 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2wm3 h GLU 137 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2wm3 h GLU 137 CO 0.03 -0.00 -0.23 1.49 -1.00 0.00 0.00 179.01 179.30 2wm3 h GLU 138 N -0.01 0.65 -0.44 2.33 4.81 -1.33 -3.05 114.58 117.55 2wm3 h GLU 138 Ca 0.24 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2wm3 h GLU 138 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2wm3 h GLU 138 CO -0.53 0.83 0.20 -0.92 -0.73 0.00 0.00 179.01 177.86 2wm3 h TYR 139 N 0.57 0.65 -0.54 0.92 5.03 -0.62 0.63 116.97 123.60 2wm3 h TYR 139 Ca 0.08 -0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.46 2wm3 h TYR 139 Cb 0.70 -0.20 -0.09 0.00 1.55 0.00 0.00 36.73 38.69 2wm3 h TYR 139 CO 0.03 0.54 0.04 0.74 -1.32 0.00 0.00 178.16 178.19 2wm3 h PHE 140 N 0.57 0.04 -0.28 -3.82 0.04 -1.17 -1.15 116.94 111.18 2wm3 h PHE 140 Ca 0.15 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 2wm3 h PHE 140 Cb 0.14 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2wm3 h PHE 140 CO -0.01 -0.09 -0.27 0.00 -0.60 0.00 0.00 178.31 177.34 2wm3 h ARG 141 N 0.16 0.68 -0.91 1.51 -0.00 -1.40 -1.62 114.38 112.81 2wm3 h ARG 141 Ca 0.28 -0.36 0.07 0.00 -0.50 0.00 0.00 59.98 59.48 2wm3 h ARG 141 Cb 0.42 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.35 2wm3 h ARG 141 CO -0.43 0.97 0.59 -0.44 0.00 0.00 0.00 179.97 180.66 2wm3 h ASP 142 N 0.42 0.88 0.51 7.04 3.32 -0.16 -2.20 116.42 126.23 2wm3 h ASP 142 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wm3 h ASP 142 Cb 0.84 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2wm3 h ASP 142 CO 0.07 0.55 -0.55 2.30 -1.72 0.00 0.00 179.24 179.89 2wm3 n ILE 143 N -4.50 0.04 -0.15 0.35 -5.35 -0.50 -4.98 119.36 104.27 2wm3 n ILE 143 Ca 0.14 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2wm3 n ILE 143 Cb 0.23 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 2wm3 n ILE 143 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wm3 n GLY 144 N 1.48 1.87 3.77 3.28 0.00 -0.83 -5.03 105.19 109.73 2wm3 n GLY 144 Ca 0.05 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2wm3 n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wm3 s VAL 145 N -2.00 4.98 -0.29 1.61 1.01 -0.65 -5.00 120.40 120.05 2wm3 s VAL 145 Ca 0.00 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 2wm3 s VAL 145 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2wm3 s VAL 145 CO 0.00 0.42 1.56 -2.16 0.00 0.00 0.00 175.10 174.93 2wm3 s PRO 146 N -0.17 3.69 -0.10 2.72 0.04 -1.26 -4.53 135.00 135.38 2wm3 s PRO 146 Ca 0.29 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 2wm3 s PRO 146 Cb -0.17 -4.04 0.03 0.00 0.04 0.00 0.00 34.50 30.36 2wm3 s PRO 146 CO 0.15 -1.42 0.26 1.41 0.04 0.00 0.00 177.00 177.44 2wm3 s MET 147 N 4.83 0.27 -0.11 4.56 1.75 -1.26 -0.93 119.30 128.40 2wm3 s MET 147 Ca 0.69 0.43 0.01 0.00 -1.25 0.00 0.00 55.69 55.58 2wm3 s MET 147 Cb -0.21 0.04 -0.01 0.00 2.84 0.00 0.00 34.83 37.49 2wm3 s MET 147 CO 0.30 -0.09 -0.16 0.99 -0.65 0.00 0.00 175.02 175.41 2wm3 s THR 148 N 0.59 2.80 -0.16 10.11 2.01 -0.34 -0.55 115.64 130.10 2wm3 s THR 148 Ca -0.04 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2wm3 s THR 148 Cb -0.05 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2wm3 s THR 148 CO -0.03 0.54 0.19 -0.55 -0.69 0.00 0.00 174.62 174.08 2wm3 s SER 149 N 0.19 6.35 -0.27 3.53 0.15 -0.60 -1.29 113.70 121.76 2wm3 s SER 149 Ca -0.10 0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.88 2wm3 s SER 149 Cb -0.16 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2wm3 s SER 149 CO 0.06 0.22 0.09 0.68 1.20 0.00 0.00 173.24 175.48 2wm3 s VAL 150 N 0.00 4.26 -0.42 4.45 -7.23 -0.16 0.20 120.40 121.50 2wm3 s VAL 150 Ca 0.13 -0.36 -0.13 0.00 -1.81 0.00 0.00 61.98 59.81 2wm3 s VAL 150 Cb -0.12 -3.08 0.05 0.00 0.56 0.00 0.00 36.38 33.79 2wm3 s VAL 150 CO 0.02 0.22 0.29 -0.13 -0.31 0.00 0.00 175.10 175.19 2wm3 s ARG 151 N 1.58 2.85 0.33 4.82 0.52 0.12 -1.87 118.95 127.30 2wm3 s ARG 151 Ca 0.05 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 53.77 2wm3 s ARG 151 Cb -0.16 -3.91 -0.10 0.00 0.52 0.00 0.00 34.95 31.30 2wm3 s ARG 151 CO 0.04 -0.86 0.96 -0.51 0.02 0.00 0.00 175.30 174.94 2wm3 s LEU 152 N 1.58 4.33 0.92 2.53 1.02 -1.26 -1.21 118.68 126.58 2wm3 s LEU 152 Ca 0.03 1.88 -0.12 0.00 0.02 0.00 0.00 54.13 55.94 2wm3 s LEU 152 Cb -0.22 -4.02 0.20 0.00 0.02 0.00 0.00 46.19 42.18 2wm3 s LEU 152 CO 0.06 -0.11 1.26 -2.16 0.02 0.00 0.00 176.35 175.42 2wm3 s PRO 153 N -2.07 0.73 -0.21 1.29 0.04 -1.25 -4.94 135.00 128.58 2wm3 s PRO 153 Ca 0.51 -0.69 -0.40 0.00 0.04 0.00 0.00 61.00 60.46 2wm3 s PRO 153 Cb -0.20 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 2wm3 s PRO 153 CO 0.25 -2.28 1.66 0.00 0.04 0.00 0.00 177.00 176.67 2wm3 s TYR 155 N 2.92 3.30 0.44 0.00 2.02 -1.26 -3.14 117.35 121.63 2wm3 s TYR 155 Ca 0.96 1.46 0.17 0.00 -0.37 0.00 0.00 57.07 59.28 2wm3 s TYR 155 Cb -1.06 -3.52 1.09 0.00 -0.40 0.00 0.00 41.96 38.07 2wm3 s TYR 155 CO 0.62 -1.40 1.93 0.74 -1.57 0.00 0.00 175.55 175.87 2wm3 h PHE 156 N 4.16 0.43 -0.12 2.71 0.04 -1.43 -1.03 116.94 121.69 2wm3 h PHE 156 Ca -0.47 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.35 2wm3 h PHE 156 Cb 1.22 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 2wm3 h PHE 156 CO 0.59 0.17 0.16 0.93 -0.60 0.00 0.00 178.31 179.55 2wm3 h GLU 157 N 0.37 0.00 -0.01 1.51 3.07 -1.91 0.41 114.58 118.02 2wm3 h GLU 157 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2wm3 h GLU 157 Cb 0.86 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2wm3 h GLU 157 CO -0.10 0.00 0.01 -0.91 -1.40 0.00 0.00 179.01 176.61 2wm3 h ASN 158 N 0.00 0.00 0.56 1.42 2.35 -1.56 -1.46 115.58 116.89 2wm3 h ASN 158 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2wm3 h ASN 158 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2wm3 h ASN 158 CO -0.00 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.71 2wm3 h LEU 159 N 0.00 0.00 -0.10 1.61 3.38 -1.08 -0.26 115.31 118.85 2wm3 h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wm3 h LEU 159 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wm3 h LEU 159 CO -0.00 0.00 -0.51 0.18 0.09 0.00 0.00 178.44 178.20 2wm3 n LEU 160 N -2.59 0.66 0.00 1.67 4.77 -0.55 -2.82 117.00 118.14 2wm3 n LEU 160 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2wm3 n LEU 160 Cb 0.19 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2wm3 n LEU 160 CO 0.20 0.15 0.00 -1.54 -1.33 0.00 0.00 177.39 174.87 2wm3 n SER 161 N -1.33 0.00 -0.21 -1.43 3.41 -0.57 -4.73 113.62 108.76 2wm3 n SER 161 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.72 2wm3 n SER 161 Cb 0.34 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.60 2wm3 n SER 161 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2wm3 h HIS 162 N 0.00 0.84 -0.21 7.33 3.86 -1.79 -2.67 115.15 122.51 2wm3 h HIS 162 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wm3 h HIS 162 Cb 0.00 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.19 2wm3 h HIS 162 CO 0.00 0.47 0.00 1.19 0.86 0.00 0.00 177.93 180.45 2wm3 n PHE 163 N -4.47 0.70 -1.67 2.45 3.72 -0.22 -5.03 117.46 112.95 2wm3 n PHE 163 Ca 0.10 -0.85 -0.51 0.00 -0.05 0.00 0.00 57.45 56.14 2wm3 n PHE 163 Cb 0.18 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 2wm3 n PHE 163 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2wm3 n LEU 164 N -0.58 2.67 -4.73 4.37 7.94 -1.01 -4.68 117.00 120.99 2wm3 n LEU 164 Ca 0.19 1.06 -0.39 0.00 -1.11 0.00 0.00 56.01 55.76 2wm3 n LEU 164 Cb 0.78 -1.28 0.04 0.00 0.53 0.00 0.00 43.42 43.49 2wm3 n LEU 164 CO 0.12 -0.43 0.93 -2.65 -1.11 0.00 0.00 177.39 174.24 2wm3 n PRO 165 N 4.69 1.69 -4.78 1.96 -0.02 -1.26 -4.90 135.00 132.38 2wm3 n PRO 165 Ca 0.22 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 2wm3 n PRO 165 Cb 0.22 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.07 2wm3 n PRO 165 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wm3 s GLN 166 N -2.74 2.47 0.10 -0.52 -1.52 -0.39 -4.81 119.66 112.26 2wm3 s GLN 166 Ca 0.70 -0.72 -0.36 0.00 -1.95 0.00 0.00 55.36 53.02 2wm3 s GLN 166 Cb -0.43 -2.39 -0.16 0.00 -0.22 0.00 0.00 33.01 29.81 2wm3 s GLN 166 CO 0.51 0.61 1.40 1.63 -0.25 0.00 0.00 175.29 179.20 2wm3 n LYS 167 N 2.10 1.40 -1.44 2.91 4.76 -1.26 0.70 118.16 127.33 2wm3 n LYS 167 Ca -0.17 0.51 -0.31 0.00 -2.87 0.00 0.00 58.31 55.47 2wm3 n LYS 167 Cb 0.52 -2.18 0.07 0.00 -1.84 0.00 0.00 35.03 31.60 2wm3 n LYS 167 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wm3 s ALA 168 N 0.61 2.50 0.31 7.82 0.00 -0.28 -4.77 121.76 127.96 2wm3 s ALA 168 Ca 0.83 0.17 0.08 0.00 0.00 0.00 0.00 51.96 53.04 2wm3 s ALA 168 Cb -0.88 -3.22 0.82 0.00 0.00 0.00 0.00 23.12 19.84 2wm3 s ALA 168 CO 0.45 -1.46 1.75 -1.35 0.00 0.00 0.00 175.76 175.15 2wm3 h PRO 169 N -0.88 0.65 0.00 0.00 0.11 -1.93 -1.72 132.00 128.23 2wm3 h PRO 169 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2wm3 h PRO 169 Cb 1.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wm3 h PRO 169 CO 0.54 0.43 -0.08 0.38 -0.21 0.00 0.00 178.00 179.06 2wm3 h ASP 170 N 0.67 0.00 0.00 -2.05 3.04 -1.93 -3.47 116.42 112.68 2wm3 h ASP 170 Ca 0.62 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.41 2wm3 h ASP 170 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 2wm3 h ASP 170 CO -0.43 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.46 2wm3 n GLY 171 N -0.75 2.41 1.33 7.15 0.00 -0.65 -4.90 105.19 109.78 2wm3 n GLY 171 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2wm3 n GLY 171 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wm3 n LYS 172 N -2.00 3.55 -3.79 1.61 0.00 -1.26 -4.91 118.16 111.36 2wm3 n LYS 172 Ca 0.00 -2.77 -0.04 0.00 -0.00 0.00 0.00 58.31 55.49 2wm3 n LYS 172 Cb 0.00 -1.82 -0.01 0.00 -0.00 0.00 0.00 35.03 33.21 2wm3 n LYS 172 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2wm3 s SER 173 N -1.11 -0.15 0.21 -5.58 1.04 -1.26 -4.73 113.70 102.12 2wm3 s SER 173 Ca 0.45 -0.51 0.10 0.00 0.48 0.00 0.00 55.95 56.47 2wm3 s SER 173 Cb 0.31 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 2wm3 s SER 173 CO 0.20 -1.01 -0.19 -0.31 0.98 0.00 0.00 173.24 172.91 2wm3 s TYR 174 N -3.13 2.00 -0.10 5.02 1.51 -0.16 -1.12 117.35 121.37 2wm3 s TYR 174 Ca 0.14 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2wm3 s TYR 174 Cb -0.02 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 2wm3 s TYR 174 CO 0.04 0.48 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.21 2wm3 s LEU 175 N -3.06 2.14 -0.29 -1.29 1.43 0.22 -1.07 118.68 116.75 2wm3 s LEU 175 Ca 0.22 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2wm3 s LEU 175 Cb -0.05 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2wm3 s LEU 175 CO 0.10 0.16 0.35 -0.22 0.23 0.00 0.00 176.35 176.96 2wm3 s LEU 176 N 0.35 4.15 -0.79 1.79 2.96 -0.06 -1.26 118.68 125.82 2wm3 s LEU 176 Ca -0.18 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2wm3 s LEU 176 Cb -0.18 -2.37 0.20 0.00 0.50 0.00 0.00 46.19 44.35 2wm3 s LEU 176 CO 0.09 -0.22 0.67 -0.44 -1.32 0.00 0.00 176.35 175.13 2wm3 s SER 177 N 1.69 6.05 -0.24 3.68 0.01 -1.26 -0.97 113.70 122.65 2wm3 s SER 177 Ca 0.13 -3.05 -0.02 0.00 1.31 0.00 0.00 55.95 54.32 2wm3 s SER 177 Cb -0.16 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.14 2wm3 s SER 177 CO 0.11 -0.39 0.06 -0.22 0.41 0.00 0.00 173.24 173.21 2wm3 s LEU 178 N -0.37 1.52 -1.38 2.44 2.96 -1.26 -4.93 118.68 117.66 2wm3 s LEU 178 Ca 0.21 -1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 2wm3 s LEU 178 Cb -0.14 -0.68 0.09 0.00 0.50 0.00 0.00 46.19 45.97 2wm3 s LEU 178 CO -0.07 -0.35 2.16 -0.81 -1.32 0.00 0.00 176.35 175.95 2wm3 n PRO 179 N 4.99 3.46 0.13 0.98 -0.04 -1.26 -4.55 135.00 138.71 2wm3 n PRO 179 Ca -0.07 -3.07 0.12 0.00 -0.04 0.00 0.00 63.50 60.44 2wm3 n PRO 179 Cb 0.45 -3.01 0.06 0.00 -0.04 0.00 0.00 33.50 30.96 2wm3 n PRO 179 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wm3 h THR 180 N 3.64 0.00 0.00 0.52 1.35 -1.88 -3.41 112.91 113.14 2wm3 h THR 180 Ca 0.53 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2wm3 h THR 180 Cb 0.57 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2wm3 h THR 180 CO 1.72 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.60 2wm3 n GLY 181 N 1.17 2.14 0.04 5.82 0.00 -1.26 -2.81 105.19 110.29 2wm3 n GLY 181 Ca 0.01 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.89 2wm3 n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wm3 n ASP 182 N -0.25 0.21 -4.65 1.61 8.00 -1.26 -4.30 116.55 115.90 2wm3 n ASP 182 Ca 0.00 -0.14 -0.39 0.00 0.71 0.00 0.00 54.79 54.97 2wm3 n ASP 182 Cb 0.00 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 2wm3 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wm3 s VAL 183 N -2.69 5.10 0.35 2.53 1.01 -1.12 -4.90 120.40 120.67 2wm3 s VAL 183 Ca 0.23 0.92 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 2wm3 s VAL 183 Cb 0.20 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 2wm3 s VAL 183 CO 0.51 0.16 1.36 -2.16 0.00 0.00 0.00 175.10 174.96 2wm3 s PRO 184 N 1.79 4.27 -0.13 2.72 0.04 -1.26 -4.64 135.00 137.79 2wm3 s PRO 184 Ca 0.23 2.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 2wm3 s PRO 184 Cb -0.15 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2wm3 s PRO 184 CO 0.09 -0.30 0.10 1.41 0.04 0.00 0.00 177.00 178.34 2wm3 s MET 185 N -1.90 3.46 0.69 4.56 1.75 -0.11 -4.70 119.30 123.06 2wm3 s MET 185 Ca 0.50 -0.23 -0.13 0.00 -1.25 0.00 0.00 55.69 54.59 2wm3 s MET 185 Cb -0.42 -3.12 0.02 0.00 2.84 0.00 0.00 34.83 34.15 2wm3 s MET 185 CO 0.56 0.66 1.09 -0.51 -0.65 0.00 0.00 175.02 176.17 2wm3 s ASP 186 N -0.72 5.01 0.17 1.11 1.01 -1.26 -1.67 116.67 120.30 2wm3 s ASP 186 Ca 0.13 1.88 -0.23 0.00 0.71 0.00 0.00 52.55 55.03 2wm3 s ASP 186 Cb -0.12 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.34 2wm3 s ASP 186 CO 0.03 -1.70 0.68 -0.83 0.21 0.00 0.00 175.17 173.56 2wm3 s GLY 187 N -3.02 -0.46 0.27 0.21 0.00 -0.83 -3.99 107.32 99.50 2wm3 s GLY 187 Ca 0.64 0.36 -0.21 0.00 0.00 0.00 0.00 44.72 45.50 2wm3 s GLY 187 CO 0.47 0.12 0.70 -3.16 0.00 0.00 0.00 173.10 171.24 2wm3 s MET 188 N -3.68 1.75 -0.10 2.90 0.23 -1.19 -1.67 119.30 117.54 2wm3 s MET 188 Ca 0.04 -0.96 -0.23 0.00 -1.03 0.00 0.00 55.69 53.52 2wm3 s MET 188 Cb -0.02 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.85 2wm3 s MET 188 CO -0.07 -0.80 0.67 0.45 -2.03 0.00 0.00 175.02 173.25 2wm3 s SER 189 N -2.91 6.90 0.52 -1.18 0.15 -1.26 -1.03 113.70 114.89 2wm3 s SER 189 Ca 0.11 1.09 0.19 0.00 0.70 0.00 0.00 55.95 58.04 2wm3 s SER 189 Cb -0.05 -2.39 1.35 0.00 -1.71 0.00 0.00 66.02 63.21 2wm3 s SER 189 CO 0.06 -0.15 2.14 1.62 1.20 0.00 0.00 173.24 178.11 2wm3 h VAL 190 N 4.85 0.90 0.00 4.45 3.04 -1.94 -0.56 116.25 126.98 2wm3 h VAL 190 Ca -0.39 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2wm3 h VAL 190 Cb 1.18 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2wm3 h VAL 190 CO 0.76 0.04 0.00 -1.54 -1.01 0.00 0.00 177.57 175.82 2wm3 n SER 191 N -4.31 0.00 -1.14 3.17 3.41 -1.26 -1.73 113.62 111.76 2wm3 n SER 191 Ca -0.03 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 2wm3 n SER 191 Cb 0.12 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 2wm3 n SER 191 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wm3 n ASP 192 N -1.44 3.34 -0.15 4.04 8.00 -0.22 -4.34 116.55 125.78 2wm3 n ASP 192 Ca 0.04 -1.98 -0.11 0.00 0.71 0.00 0.00 54.79 53.46 2wm3 n ASP 192 Cb 0.16 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 2wm3 n ASP 192 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wm3 h LEU 193 N 3.88 0.87 -0.55 0.64 5.85 -1.45 -3.36 115.31 121.20 2wm3 h LEU 193 Ca 0.00 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.46 2wm3 h LEU 193 Cb 0.88 -0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.56 2wm3 h LEU 193 CO 0.00 1.03 -0.34 1.23 -0.34 0.00 0.00 178.44 180.02 2wm3 h GLY 194 N 0.71 -0.15 2.00 3.75 0.00 -1.76 -0.50 103.07 107.11 2wm3 h GLY 194 Ca 0.12 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 2wm3 h GLY 194 CO 0.04 -0.20 -0.13 -2.55 0.00 0.00 0.00 176.54 173.70 2wm3 h PRO 195 N -0.18 0.00 0.07 4.80 0.11 -1.86 -0.77 132.00 134.16 2wm3 h PRO 195 Ca 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 2wm3 h PRO 195 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2wm3 h PRO 195 CO -0.65 0.13 -0.03 0.28 -0.21 0.00 0.00 178.00 177.52 2wm3 h VAL 196 N 0.00 1.08 -0.88 3.15 2.07 -1.25 -1.70 116.25 118.73 2wm3 h VAL 196 Ca -0.00 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2wm3 h VAL 196 Cb 0.47 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2wm3 h VAL 196 CO 0.02 0.12 0.46 0.58 0.02 0.00 0.00 177.57 178.77 2wm3 h VAL 197 N -0.31 1.26 -0.57 2.57 2.07 -0.89 -2.26 116.25 118.12 2wm3 h VAL 197 Ca -0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2wm3 h VAL 197 Cb 0.27 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2wm3 h VAL 197 CO 0.01 0.30 0.30 0.25 0.02 0.00 0.00 177.57 178.45 2wm3 h LEU 198 N 1.23 0.72 -0.76 2.57 5.85 -1.11 -0.28 115.31 123.53 2wm3 h LEU 198 Ca 0.31 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2wm3 h LEU 198 Cb 0.06 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2wm3 h LEU 198 CO -0.05 0.61 0.48 0.28 -0.34 0.00 0.00 178.44 179.43 2wm3 h SER 199 N 0.77 0.79 -0.52 1.25 0.02 -0.95 -1.52 113.55 113.38 2wm3 h SER 199 Ca 0.20 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2wm3 h SER 199 Cb 0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2wm3 h SER 199 CO -0.03 0.54 0.10 -0.07 -1.14 0.00 0.00 176.83 176.23 2wm3 h LEU 200 N 0.93 0.82 -1.78 5.07 3.38 -1.08 -2.51 115.31 120.16 2wm3 h LEU 200 Ca 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2wm3 h LEU 200 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2wm3 h LEU 200 CO -0.11 0.86 -0.13 -0.07 0.09 0.00 0.00 178.44 179.08 2wm3 h LEU 201 N 0.74 0.00 0.00 1.67 3.38 -0.45 -2.20 115.31 118.45 2wm3 h LEU 201 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wm3 h LEU 201 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wm3 h LEU 201 CO 0.01 0.13 -0.48 0.29 0.09 0.00 0.00 178.44 178.48 2wm3 n LYS 202 N -4.28 0.13 -3.14 1.13 5.02 -0.63 -4.33 118.16 112.06 2wm3 n LYS 202 Ca -0.03 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 2wm3 n LYS 202 Cb 0.21 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2wm3 n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wm3 n MET 203 N -1.77 0.88 0.00 1.97 0.00 -0.88 -5.01 117.12 112.31 2wm3 n MET 203 Ca 0.05 -3.14 -0.05 0.00 0.00 0.00 0.00 57.70 54.55 2wm3 n MET 203 Cb 0.38 -1.48 0.15 0.00 0.00 0.00 0.00 33.22 32.27 2wm3 n MET 203 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2wm3 h PRO 204 N 3.38 0.52 -0.01 3.17 0.13 -1.61 -2.92 132.00 134.65 2wm3 h PRO 204 Ca 0.06 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2wm3 h PRO 204 Cb 0.95 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2wm3 h PRO 204 CO 0.45 0.78 -0.07 1.05 -0.23 0.00 0.00 178.00 179.98 2wm3 h GLU 205 N 0.44 0.01 0.00 0.86 9.09 -1.95 -1.54 114.58 121.50 2wm3 h GLU 205 Ca 0.05 -0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.42 2wm3 h GLU 205 Cb 0.78 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 2wm3 h GLU 205 CO 0.06 0.08 -0.22 -0.22 0.05 0.00 0.00 179.01 178.76 2wm3 h LYS 206 N 0.01 0.00 -0.01 1.06 1.63 -1.91 -3.29 116.57 114.07 2wm3 h LYS 206 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wm3 h LYS 206 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2wm3 h LYS 206 CO 0.01 0.22 0.00 0.66 -3.45 0.00 0.00 179.45 176.89 2wm3 n TYR 207 N -3.50 0.01 -1.70 1.91 4.01 -0.66 -5.00 117.16 112.22 2wm3 n TYR 207 Ca -0.01 -0.06 -0.44 0.00 -0.16 0.00 0.00 57.90 57.23 2wm3 n TYR 207 Cb 0.38 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.38 2wm3 n TYR 207 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wm3 n VAL 208 N 0.02 0.77 -0.50 -0.72 0.31 -0.70 -1.47 118.33 116.04 2wm3 n VAL 208 Ca 0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2wm3 n VAL 208 Cb 0.06 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2wm3 n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wm3 n GLY 209 N 2.49 1.67 3.85 2.92 0.00 0.29 -4.94 105.19 111.46 2wm3 n GLY 209 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2wm3 n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wm3 s GLN 210 N -0.12 3.92 -0.30 1.61 -0.21 -0.54 -4.99 119.66 119.03 2wm3 s GLN 210 Ca 0.00 0.43 -0.05 0.00 0.02 0.00 0.00 55.36 55.76 2wm3 s GLN 210 Cb 0.00 -2.80 0.03 0.00 1.00 0.00 0.00 33.01 31.25 2wm3 s GLN 210 CO 0.00 0.40 0.05 -0.80 -2.12 0.00 0.00 175.29 172.82 2wm3 s ASN 211 N -1.98 5.01 -0.32 5.90 0.01 -1.26 -1.55 114.94 120.74 2wm3 s ASN 211 Ca 0.42 -1.02 -0.11 0.00 -0.71 0.00 0.00 52.86 51.45 2wm3 s ASN 211 Cb -0.13 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 2wm3 s ASN 211 CO 0.20 -0.24 0.18 -0.63 -1.51 0.00 0.00 177.10 175.09 2wm3 s ILE 212 N 1.38 4.79 -0.23 0.60 1.01 0.13 -4.96 121.20 123.92 2wm3 s ILE 212 Ca -0.01 -0.37 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 2wm3 s ILE 212 Cb -0.18 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2wm3 s ILE 212 CO 0.01 0.04 0.96 -0.83 0.00 0.00 0.00 174.94 175.11 2wm3 s GLY 213 N 1.64 1.75 0.16 6.18 0.00 -1.25 -0.70 107.32 115.10 2wm3 s GLY 213 Ca 0.05 0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 2wm3 s GLY 213 CO 0.07 2.03 0.59 1.08 0.00 0.00 0.00 173.10 176.88 2wm3 s LEU 214 N 3.01 4.35 -0.20 0.66 1.43 -0.35 -0.34 118.68 127.23 2wm3 s LEU 214 Ca 0.41 1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 2wm3 s LEU 214 Cb -0.15 -3.33 0.15 0.00 0.03 0.00 0.00 46.19 42.89 2wm3 s LEU 214 CO 0.07 0.09 1.11 -0.55 0.23 0.00 0.00 176.35 177.30 2wm3 s SER 215 N -1.67 -0.27 0.00 2.29 0.15 -1.26 -3.85 113.70 109.09 2wm3 s SER 215 Ca 0.39 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.44 2wm3 s SER 215 Cb -0.16 0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 2wm3 s SER 215 CO 0.20 -0.24 0.73 0.35 1.20 0.00 0.00 173.24 175.47 2wm3 n THR 216 N 0.74 0.00 0.00 6.45 -2.24 -0.67 -4.02 114.28 114.54 2wm3 n THR 216 Ca -0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2wm3 n THR 216 Cb 0.58 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 2wm3 n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wm3 s ARG 218 N -2.00 0.74 0.01 0.00 1.70 -1.26 -1.96 118.95 116.18 2wm3 s ARG 218 Ca 0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 55.73 55.11 2wm3 s ARG 218 Cb 0.00 -0.75 -0.01 0.00 -0.57 0.00 0.00 34.95 33.62 2wm3 s ARG 218 CO 0.00 -0.04 0.06 -1.01 -1.08 0.00 0.00 175.30 173.23 2wm3 s HIS 219 N 0.72 0.15 0.80 5.89 3.76 -0.67 -4.77 115.29 121.16 2wm3 s HIS 219 Ca -0.09 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 2wm3 s HIS 219 Cb -0.12 -0.12 0.07 0.00 1.11 0.00 0.00 32.58 33.52 2wm3 s HIS 219 CO 0.00 -0.24 1.15 0.95 -0.85 0.00 0.00 174.74 175.75 2wm3 s THR 220 N -1.47 2.38 0.32 1.30 -4.23 -1.26 -0.93 115.64 111.75 2wm3 s THR 220 Ca -0.15 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2wm3 s THR 220 Cb -0.09 -3.09 0.30 0.00 1.34 0.00 0.00 72.50 70.96 2wm3 s THR 220 CO 0.00 -0.16 1.88 0.00 -0.54 0.00 0.00 174.62 175.80 2wm3 h ALA 221 N -1.01 1.63 -0.66 3.99 0.00 -1.83 0.17 119.26 121.55 2wm3 h ALA 221 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2wm3 h ALA 221 Cb 1.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2wm3 h ALA 221 CO 0.65 0.17 0.43 1.49 0.00 0.00 0.00 179.25 181.99 2wm3 h GLU 222 N 0.89 0.85 -0.21 0.00 4.81 -1.93 0.02 114.58 119.02 2wm3 h GLU 222 Ca 0.43 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.41 2wm3 h GLU 222 Cb 0.44 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.63 2wm3 h GLU 222 CO -0.19 0.56 -0.64 0.93 -0.73 0.00 0.00 179.01 178.94 2wm3 h GLU 223 N 0.88 0.80 -0.46 1.92 5.08 -1.67 -1.55 114.58 119.58 2wm3 h GLU 223 Ca 0.25 -0.59 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2wm3 h GLU 223 Cb -0.07 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 2wm3 h GLU 223 CO -0.07 1.21 0.09 1.88 -1.00 0.00 0.00 179.01 181.12 2wm3 h TYR 224 N 0.55 0.15 -0.42 4.33 -1.99 -0.81 -1.37 116.97 117.41 2wm3 h TYR 224 Ca -0.02 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2wm3 h TYR 224 Cb 1.27 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.98 2wm3 h TYR 224 CO 0.08 0.01 0.23 0.00 -0.00 0.00 0.00 178.16 178.48 2wm3 h ALA 225 N 1.35 0.54 -0.95 3.88 0.00 -0.81 1.00 119.26 124.27 2wm3 h ALA 225 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wm3 h ALA 225 Cb 0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2wm3 h ALA 225 CO -0.29 0.07 0.63 0.00 0.00 0.00 0.00 179.25 179.65 2wm3 h ALA 226 N 1.08 1.23 -0.13 0.00 0.00 -1.02 -0.52 119.26 119.90 2wm3 h ALA 226 Ca 0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2wm3 h ALA 226 Cb 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.49 2wm3 h ALA 226 CO -0.02 0.56 -0.78 -0.07 0.00 0.00 0.00 179.25 178.93 2wm3 h LEU 227 N 1.25 0.86 -0.81 0.00 3.38 -0.85 -2.18 115.31 116.96 2wm3 h LEU 227 Ca 0.36 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2wm3 h LEU 227 Cb -0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 2wm3 h LEU 227 CO -0.10 1.36 0.52 -0.07 0.09 0.00 0.00 178.44 180.24 2wm3 h LEU 228 N 0.49 0.95 -0.07 1.67 3.38 -0.63 -1.74 115.31 119.35 2wm3 h LEU 228 Ca -0.05 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wm3 h LEU 228 Cb 1.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2wm3 h LEU 228 CO 0.16 0.71 0.01 0.74 0.09 0.00 0.00 178.44 180.14 2wm3 h THR 229 N 1.10 0.97 -0.43 0.22 2.02 -1.00 0.16 112.91 115.95 2wm3 h THR 229 Ca 0.29 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 2wm3 h THR 229 Cb -0.09 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2wm3 h THR 229 CO -0.06 0.01 0.24 0.50 0.37 0.00 0.00 175.52 176.58 2wm3 h LYS 230 N 0.04 0.60 0.17 6.66 3.64 -1.16 -2.29 116.57 124.23 2wm3 h LYS 230 Ca 0.03 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 59.01 2wm3 h LYS 230 Cb 0.03 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2wm3 h LYS 230 CO -0.04 0.48 -1.60 0.45 -2.27 0.00 0.00 179.45 176.47 2wm3 h HIS 231 N 0.57 0.65 0.00 1.91 3.86 -1.25 -3.33 115.15 117.56 2wm3 h HIS 231 Ca 0.15 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2wm3 h HIS 231 Cb 0.05 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2wm3 h HIS 231 CO -0.02 1.52 -0.10 1.79 0.86 0.00 0.00 177.93 181.98 2wm3 h THR 232 N 0.10 0.00 -1.24 2.45 1.35 -0.76 -3.46 112.91 111.34 2wm3 h THR 232 Ca -0.28 -0.88 -0.33 0.00 -0.55 0.00 0.00 66.41 64.37 2wm3 h THR 232 Cb 2.07 1.83 -0.09 0.00 -1.73 0.00 0.00 68.15 70.23 2wm3 h THR 232 CO 0.19 0.00 -0.33 0.54 -0.25 0.00 0.00 175.52 175.67 2wm3 n ARG 233 N -2.87 -1.17 -4.65 4.72 3.00 -0.86 -5.01 116.66 109.83 2wm3 n ARG 233 Ca 0.04 0.97 -0.30 0.00 -0.01 0.00 0.00 57.85 58.55 2wm3 n ARG 233 Cb 0.51 -5.22 -0.13 0.00 0.00 0.00 0.00 32.46 27.62 2wm3 n ARG 233 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wm3 s LYS 234 N -3.81 1.94 -0.10 5.56 -0.14 -1.25 -5.07 119.74 116.86 2wm3 s LYS 234 Ca 0.00 -1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 53.26 2wm3 s LYS 234 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2wm3 s LYS 234 CO 0.00 0.52 1.31 0.08 -0.76 0.00 0.00 175.35 176.50 2wm3 s VAL 235 N -0.93 4.12 -0.13 3.17 1.01 -1.26 -4.11 120.40 122.27 2wm3 s VAL 235 Ca 0.14 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2wm3 s VAL 235 Cb -0.10 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2wm3 s VAL 235 CO 0.05 -0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.26 2wm3 s VAL 236 N 3.10 1.40 0.07 2.92 1.01 -1.26 -0.99 120.40 126.65 2wm3 s VAL 236 Ca 0.58 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.08 2wm3 s VAL 236 Cb -0.25 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2wm3 s VAL 236 CO 0.20 0.43 -0.01 -1.00 0.00 0.00 0.00 175.10 174.72 2wm3 s HIS 237 N 1.51 2.99 0.06 5.22 3.76 -0.23 -4.41 115.29 124.20 2wm3 s HIS 237 Ca 0.04 -0.01 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 2wm3 s HIS 237 Cb -0.13 -1.56 -0.08 0.00 1.11 0.00 0.00 32.58 31.92 2wm3 s HIS 237 CO -0.09 0.47 1.70 0.34 -0.85 0.00 0.00 174.74 176.31 2wm3 s ASP 238 N -2.14 6.57 0.07 1.40 2.15 -1.26 -0.88 116.67 122.59 2wm3 s ASP 238 Ca 0.24 2.52 0.21 0.00 0.43 0.00 0.00 52.55 55.95 2wm3 s ASP 238 Cb -0.12 -2.56 0.85 0.00 -0.30 0.00 0.00 42.92 40.80 2wm3 s ASP 238 CO 0.16 -0.92 1.65 0.00 -0.17 0.00 0.00 175.17 175.89 2wm3 n ALA 239 N 5.90 1.87 -3.79 3.66 0.00 -0.14 -4.84 120.51 123.18 2wm3 n ALA 239 Ca 0.17 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 2wm3 n ALA 239 Cb 0.40 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.55 2wm3 n ALA 239 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wm3 n LYS 240 N -1.73 -5.60 -2.00 0.00 5.02 -1.26 -4.98 118.16 107.61 2wm3 n LYS 240 Ca 0.04 0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 56.60 2wm3 n LYS 240 Cb 0.24 -5.43 0.03 0.00 -0.02 0.00 0.00 35.03 29.85 2wm3 n LYS 240 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wm3 s MET 241 N -6.31 3.22 0.29 1.97 1.75 -1.26 -5.04 119.30 113.92 2wm3 s MET 241 Ca 0.39 1.94 0.11 0.00 -1.25 0.00 0.00 55.69 56.88 2wm3 s MET 241 Cb -0.19 -2.15 -0.05 0.00 2.84 0.00 0.00 34.83 35.27 2wm3 s MET 241 CO 0.81 -1.04 -0.17 0.95 -0.65 0.00 0.00 175.02 174.93 2wm3 s THR 242 N -1.49 2.33 0.55 10.11 -4.23 -1.26 -4.36 115.64 117.29 2wm3 s THR 242 Ca 0.72 -2.34 0.27 0.00 -1.18 0.00 0.00 61.69 59.16 2wm3 s THR 242 Cb -0.33 -2.35 0.33 0.00 1.34 0.00 0.00 72.50 71.49 2wm3 s THR 242 CO 0.38 -0.38 2.20 -0.65 -0.54 0.00 0.00 174.62 175.64 2wm3 h PRO 243 N 2.25 0.00 -0.40 3.99 0.11 -1.88 -1.60 132.00 134.47 2wm3 h PRO 243 Ca -0.40 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.82 2wm3 h PRO 243 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2wm3 h PRO 243 CO 0.63 0.03 0.31 0.93 -0.21 0.00 0.00 178.00 179.68 2wm3 h GLU 244 N 0.00 0.00 0.00 1.05 3.07 -1.96 -2.37 114.58 114.38 2wm3 h GLU 244 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2wm3 h GLU 244 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2wm3 h GLU 244 CO 0.00 0.00 -0.27 -0.44 -1.40 0.00 0.00 179.01 176.90 2wm3 h ASP 245 N 0.00 0.00 -0.00 1.42 3.32 -1.70 -1.44 116.42 118.02 2wm3 h ASP 245 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2wm3 h ASP 245 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2wm3 h ASP 245 CO -0.00 0.27 -0.06 1.88 -1.72 0.00 0.00 179.24 179.61 2wm3 h TYR 246 N 0.00 0.06 -1.00 4.55 0.05 -1.59 -3.36 116.97 115.68 2wm3 h TYR 246 Ca -0.00 -0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.92 2wm3 h TYR 246 Cb 0.57 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.20 2wm3 h TYR 246 CO 0.00 0.79 0.62 1.49 -1.05 0.00 0.00 178.16 180.00 2wm3 h GLU 247 N -0.68 0.79 0.00 4.88 4.81 -1.20 -2.50 114.58 120.69 2wm3 h GLU 247 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2wm3 h GLU 247 Cb 0.80 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2wm3 h GLU 247 CO 0.01 0.52 0.33 1.63 -0.73 0.00 0.00 179.01 180.77 2wm3 n LYS 248 N -4.72 0.02 -0.61 1.92 5.02 -0.60 -2.84 118.16 116.35 2wm3 n LYS 248 Ca 0.22 0.31 0.08 0.00 -2.02 0.00 0.00 58.31 56.90 2wm3 n LYS 248 Cb 0.52 -1.89 0.32 0.00 -0.02 0.00 0.00 35.03 33.96 2wm3 n LYS 248 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wm3 n LEU 249 N -1.43 4.59 0.00 -0.35 4.77 -0.94 -4.97 117.00 118.66 2wm3 n LEU 249 Ca -0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 2wm3 n LEU 249 Cb 0.33 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2wm3 n LEU 249 CO 0.01 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2wm3 n GLY 250 N 0.16 0.28 3.75 -0.72 0.00 -1.13 -4.87 105.19 102.66 2wm3 n GLY 250 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2wm3 n GLY 250 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wm3 s PHE 251 N 0.00 2.88 0.80 1.61 -0.12 -1.26 -4.90 117.98 116.99 2wm3 s PHE 251 Ca 0.00 0.95 -0.14 0.00 -0.05 0.00 0.00 56.93 57.70 2wm3 s PHE 251 Cb 0.00 -3.93 0.07 0.00 -0.63 0.00 0.00 43.02 38.53 2wm3 s PHE 251 CO 0.00 -3.03 1.14 -0.35 -0.05 0.00 0.00 175.22 172.93 2wm3 n PRO 252 N 2.07 0.23 0.00 1.99 -0.04 -1.26 -0.01 135.00 137.97 2wm3 n PRO 252 Ca 0.07 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2wm3 n PRO 252 Cb 0.39 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2wm3 n PRO 252 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wm3 n GLY 253 N 0.67 3.04 0.12 0.55 0.00 -1.26 -4.85 105.19 103.46 2wm3 n GLY 253 Ca 0.13 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2wm3 n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wm3 h ALA 254 N 0.00 -0.19 -0.06 4.61 0.00 -0.70 0.12 119.26 123.03 2wm3 h ALA 254 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2wm3 h ALA 254 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wm3 h ALA 254 CO 0.00 -0.38 -0.18 -0.09 0.00 0.00 0.00 179.25 178.60 2wm3 h ARG 255 N -0.65 0.09 0.23 0.00 2.43 -1.78 0.24 114.38 114.95 2wm3 h ARG 255 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2wm3 h ARG 255 Cb 0.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2wm3 h ARG 255 CO 0.03 0.28 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.22 2wm3 h ASP 256 N 0.09 -0.26 -0.98 -3.80 3.32 -1.75 0.66 116.42 113.70 2wm3 h ASP 256 Ca 0.02 -0.24 0.17 0.00 0.02 0.00 0.00 57.03 56.99 2wm3 h ASP 256 Cb 0.38 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.90 2wm3 h ASP 256 CO 0.03 0.14 0.59 -0.07 -1.72 0.00 0.00 179.24 178.21 2wm3 h LEU 257 N -0.71 0.78 -0.63 1.55 3.38 -0.63 0.23 115.31 119.29 2wm3 h LEU 257 Ca -0.03 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wm3 h LEU 257 Cb 0.49 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2wm3 h LEU 257 CO 0.05 0.32 0.41 0.00 0.09 0.00 0.00 178.44 179.31 2wm3 h ALA 258 N 1.61 0.80 -0.25 1.53 0.00 -0.47 -2.29 119.26 120.20 2wm3 h ALA 258 Ca 0.54 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 2wm3 h ALA 258 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wm3 h ALA 258 CO -0.35 0.19 -0.30 -0.91 0.00 0.00 0.00 179.25 177.88 2wm3 h ASN 259 N 0.82 0.51 -0.25 0.00 2.35 0.13 0.88 115.58 120.02 2wm3 h ASN 259 Ca 0.24 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2wm3 h ASN 259 Cb -0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2wm3 h ASN 259 CO -0.07 0.79 0.13 -0.03 -1.65 0.00 0.00 177.43 176.61 2wm3 h MET 260 N 0.43 0.27 -0.31 0.81 1.85 -0.36 -0.53 114.93 117.11 2wm3 h MET 260 Ca 0.06 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.07 2wm3 h MET 260 Cb 0.75 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 2wm3 h MET 260 CO 0.06 0.18 -0.08 0.74 -0.40 0.00 0.00 176.91 177.41 2wm3 h PHE 261 N 0.28 0.53 -0.57 1.39 0.04 -0.98 -0.45 116.94 117.19 2wm3 h PHE 261 Ca 0.10 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2wm3 h PHE 261 Cb 0.01 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2wm3 h PHE 261 CO -0.09 0.58 0.32 0.00 -0.60 0.00 0.00 178.31 178.52 2wm3 h ARG 262 N 0.47 0.79 -0.58 1.51 3.08 -0.51 -1.61 114.38 117.54 2wm3 h ARG 262 Ca 0.09 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2wm3 h ARG 262 Cb 0.44 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2wm3 h ARG 262 CO 0.02 0.60 0.38 0.35 -1.07 0.00 0.00 179.97 180.25 2wm3 h PHE 263 N 0.77 0.73 -0.46 3.04 3.57 -0.75 -2.12 116.94 121.71 2wm3 h PHE 263 Ca 0.20 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2wm3 h PHE 263 Cb 0.03 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 2wm3 h PHE 263 CO -0.01 0.46 0.31 1.88 -2.23 0.00 0.00 178.31 178.71 2wm3 h TYR 264 N 0.78 0.42 0.00 0.41 0.05 -0.81 -0.99 116.97 116.83 2wm3 h TYR 264 Ca 0.21 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2wm3 h TYR 264 Cb -0.09 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.52 2wm3 h TYR 264 CO -0.03 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 177.31 2wm3 h ALA 265 N 1.75 1.00 -0.60 3.88 0.00 -0.59 -2.75 119.26 121.94 2wm3 h ALA 265 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wm3 h ALA 265 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wm3 h ALA 265 CO -0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2wm3 n LEU 266 N -2.63 5.20 -2.91 0.00 4.77 -0.38 -4.93 117.00 116.12 2wm3 n LEU 266 Ca -0.00 -2.69 -0.01 0.00 -0.03 0.00 0.00 56.01 53.27 2wm3 n LEU 266 Cb 0.17 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2wm3 n LEU 266 CO 0.19 0.73 0.27 0.54 -1.33 0.00 0.00 177.39 177.79 2wm3 n ARG 267 N 0.84 -1.40 -1.17 3.23 5.12 -1.04 -4.97 116.66 117.28 2wm3 n ARG 267 Ca 0.27 1.53 -0.36 0.00 -1.93 0.00 0.00 57.85 57.36 2wm3 n ARG 267 Cb 1.04 -5.44 0.08 0.00 -1.16 0.00 0.00 32.46 26.98 2wm3 n ARG 267 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2wm3 n PRO 268 N -1.46 0.18 -2.21 5.56 -0.02 -1.26 -4.87 135.00 130.92 2wm3 n PRO 268 Ca 0.02 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2wm3 n PRO 268 Cb 0.49 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 2wm3 n PRO 268 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wm3 s ASP 269 N -1.58 5.93 -0.03 2.55 -1.08 -1.26 -4.95 116.67 116.25 2wm3 s ASP 269 Ca 0.64 0.68 0.01 0.00 -0.52 0.00 0.00 52.55 53.35 2wm3 s ASP 269 Cb -0.32 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.63 2wm3 s ASP 269 CO 0.60 -1.79 -0.01 -0.13 0.52 0.00 0.00 175.17 174.36 2wm3 s ARG 270 N 5.74 0.39 -0.42 4.34 1.81 -1.26 -3.93 118.95 125.62 2wm3 s ARG 270 Ca 0.65 0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.72 2wm3 s ARG 270 Cb -0.15 -0.52 0.11 0.00 -0.45 0.00 0.00 34.95 33.94 2wm3 s ARG 270 CO 0.28 -0.11 0.15 0.34 -0.68 0.00 0.00 175.30 175.28 2wm3 s ASP 271 N 0.93 4.69 0.14 0.23 -1.08 0.53 -4.95 116.67 117.15 2wm3 s ASP 271 Ca -0.10 -2.45 -0.15 0.00 -0.52 0.00 0.00 52.55 49.34 2wm3 s ASP 271 Cb -0.13 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 2wm3 s ASP 271 CO -0.01 -0.35 1.64 0.40 0.52 0.00 0.00 175.17 177.37 2wm3 h ILE 272 N 6.18 1.23 -0.40 4.11 2.04 -1.83 -1.23 117.51 127.61 2wm3 h ILE 272 Ca -0.06 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.02 2wm3 h ILE 272 Cb 0.98 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2wm3 h ILE 272 CO 0.60 0.28 0.23 -0.33 0.00 0.00 0.00 178.15 178.93 2wm3 h GLU 273 N 0.57 0.45 -0.66 2.37 5.08 -1.93 -1.07 114.58 119.39 2wm3 h GLU 273 Ca 0.14 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2wm3 h GLU 273 Cb 0.32 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2wm3 h GLU 273 CO 0.00 0.30 0.08 1.25 -1.00 0.00 0.00 179.01 179.64 2wm3 h LEU 274 N 0.47 1.07 -0.50 1.33 5.85 -1.92 -0.53 115.31 121.07 2wm3 h LEU 274 Ca 0.16 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2wm3 h LEU 274 Cb 0.01 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2wm3 h LEU 274 CO -0.07 1.07 0.29 0.74 -0.34 0.00 0.00 178.44 180.13 2wm3 h THR 275 N 1.03 1.03 0.00 1.05 2.02 -0.90 -0.38 112.91 116.76 2wm3 h THR 275 Ca 0.20 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2wm3 h THR 275 Cb 0.48 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2wm3 h THR 275 CO 0.02 0.10 -0.30 -0.07 0.37 0.00 0.00 175.52 175.64 2wm3 h LEU 276 N 0.57 0.00 -0.45 2.58 3.38 -0.94 0.13 115.31 120.58 2wm3 h LEU 276 Ca 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 2wm3 h LEU 276 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wm3 h LEU 276 CO -0.11 0.30 -0.10 0.03 0.09 0.00 0.00 178.44 178.65 2wm3 h ARG 277 N 0.00 0.87 -0.02 1.13 3.08 -0.59 -1.61 114.38 117.24 2wm3 h ARG 277 Ca -0.00 -0.33 -0.19 0.00 0.07 0.00 0.00 59.98 59.53 2wm3 h ARG 277 Cb 0.94 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2wm3 h ARG 277 CO 0.04 0.97 -0.83 -0.07 -1.07 0.00 0.00 179.97 179.01 2wm3 h LEU 278 N 0.70 0.32 -6.60 3.04 3.38 -0.64 -3.39 115.31 112.12 2wm3 h LEU 278 Ca 0.12 -0.24 -0.59 0.00 0.09 0.00 0.00 57.88 57.26 2wm3 h LEU 278 Cb 0.64 -0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.91 2wm3 h LEU 278 CO 0.04 1.01 -0.85 0.21 0.09 0.00 0.00 178.44 178.94 2wm3 s ASN 279 N -6.95 2.83 0.46 -0.43 2.47 0.42 -4.07 114.94 109.67 2wm3 s ASN 279 Ca -0.04 -2.37 0.31 0.00 0.42 0.00 0.00 52.86 51.19 2wm3 s ASN 279 Cb 0.10 -0.48 1.67 0.00 -1.45 0.00 0.00 41.25 41.09 2wm3 s ASN 279 CO 0.83 -0.28 1.96 -0.65 -3.72 0.00 0.00 177.10 175.24 2wm3 h PRO 280 N 6.77 0.00 -0.01 0.43 0.11 -1.50 -1.92 132.00 135.88 2wm3 h PRO 280 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2wm3 h PRO 280 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wm3 h PRO 280 CO 0.30 0.00 -0.09 1.63 -0.21 0.00 0.00 178.00 179.63 2wm3 n LYS 281 N -2.62 1.46 -2.00 1.05 5.02 -1.26 -4.96 118.16 114.86 2wm3 n LYS 281 Ca -0.02 -0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 54.96 2wm3 n LYS 281 Cb 0.07 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2wm3 n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wm3 s ALA 282 N -2.17 3.57 0.07 7.82 0.00 -0.72 -4.97 121.76 125.37 2wm3 s ALA 282 Ca 0.32 1.36 -0.20 0.00 0.00 0.00 0.00 51.96 53.45 2wm3 s ALA 282 Cb 0.20 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2wm3 s ALA 282 CO 0.40 -0.78 0.60 -0.51 0.00 0.00 0.00 175.76 175.46 2wm3 s LEU 283 N -1.25 4.51 1.00 0.00 1.43 -1.26 -5.04 118.68 118.06 2wm3 s LEU 283 Ca 0.54 1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 54.79 2wm3 s LEU 283 Cb -0.42 -2.94 0.19 0.00 0.03 0.00 0.00 46.19 43.04 2wm3 s LEU 283 CO 0.51 0.23 1.11 0.42 0.23 0.00 0.00 176.35 178.86 2wm3 s THR 284 N -0.92 1.96 0.19 5.49 -4.23 -1.26 -4.52 115.64 112.35 2wm3 s THR 284 Ca 0.30 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 2wm3 s THR 284 Cb -0.20 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.17 2wm3 s THR 284 CO 0.19 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.33 2wm3 h LEU 285 N -1.85 0.82 -0.50 4.79 5.85 -1.92 0.10 115.31 122.59 2wm3 h LEU 285 Ca -0.52 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.15 2wm3 h LEU 285 Cb 1.33 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2wm3 h LEU 285 CO 0.57 0.67 0.27 -0.78 -0.34 0.00 0.00 178.44 178.82 2wm3 h ASP 286 N 0.90 0.39 -0.51 1.25 3.58 -1.98 0.26 116.42 120.32 2wm3 h ASP 286 Ca 0.23 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 2wm3 h ASP 286 Cb 0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2wm3 h ASP 286 CO -0.04 0.27 -0.03 1.56 -2.88 0.00 0.00 179.24 178.13 2wm3 h GLN 287 N 0.52 0.91 -0.38 0.28 4.20 -1.85 -2.46 115.11 116.33 2wm3 h GLN 287 Ca 0.22 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2wm3 h GLN 287 Cb 0.11 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2wm3 h GLN 287 CO -0.14 0.95 0.06 2.35 -0.67 0.00 0.00 178.83 181.38 2wm3 h TRP 288 N 0.77 0.67 -0.91 2.96 7.01 -0.42 -2.52 115.95 123.51 2wm3 h TRP 288 Ca 0.14 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2wm3 h TRP 288 Cb 0.56 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 2wm3 h TRP 288 CO 0.04 0.68 0.54 -0.07 -2.79 0.00 0.00 178.44 176.84 2wm3 h LEU 289 N 0.47 1.10 -1.19 0.65 3.38 -0.94 0.36 115.31 119.15 2wm3 h LEU 289 Ca 0.11 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2wm3 h LEU 289 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2wm3 h LEU 289 CO 0.01 0.85 0.57 -0.08 0.09 0.00 0.00 178.44 179.89 2wm3 h GLU 290 N 1.26 0.91 0.00 1.13 4.57 -1.26 0.48 114.58 121.67 2wm3 h GLU 290 Ca 0.33 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.26 2wm3 h GLU 290 Cb -0.04 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 2wm3 h GLU 290 CO -0.06 0.60 -1.04 1.96 -1.18 0.00 0.00 179.01 179.29 2wm3 h GLN 291 N 0.94 0.00 -0.17 1.92 4.20 -0.86 -3.38 115.11 117.76 2wm3 h GLN 291 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 2wm3 h GLN 291 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2wm3 h GLN 291 CO -0.16 0.72 0.00 0.72 -0.67 0.00 0.00 178.83 179.44 2wm3 n HIS 292 N -3.22 0.23 -0.23 2.96 8.25 0.02 -4.69 115.22 118.54 2wm3 n HIS 292 Ca -0.03 -0.48 0.20 0.00 -0.26 0.00 0.00 57.72 57.15 2wm3 n HIS 292 Cb 0.90 -0.04 0.54 0.00 1.12 0.00 0.00 29.99 32.51 2wm3 n HIS 292 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2wm3 h LYS 293 N 1.04 0.34 0.00 -0.41 2.10 -0.24 -0.32 116.57 119.07 2wm3 h LYS 293 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2wm3 h LYS 293 Cb 0.61 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2wm3 h LYS 293 CO 0.00 0.22 0.00 0.78 -2.00 0.00 0.00 179.45 178.45 2wm3 h GLY 294 N 0.35 0.00 1.77 0.07 0.00 -1.85 -3.07 103.07 100.33 2wm3 h GLY 294 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2wm3 h GLY 294 CO -0.16 0.00 -0.18 -0.55 0.00 0.00 0.00 176.54 175.65 2wm3 h ASP 295 N 0.00 0.00 0.13 0.19 3.32 -1.41 -3.40 116.42 115.25 2wm3 h ASP 295 Ca 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2wm3 h ASP 295 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wm3 h ASP 295 CO 0.00 0.03 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.22 2wm3 h PHE 296 N 0.00 -0.16 -5.70 4.55 0.04 -1.69 -3.48 116.94 110.50 2wm3 h PHE 296 Ca 0.00 -0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.36 2wm3 h PHE 296 Cb 0.77 0.05 0.11 0.00 2.20 0.00 0.00 35.95 39.09 2wm3 h PHE 296 CO 0.00 0.30 -0.68 0.09 -0.60 0.00 0.00 178.31 177.43 2wm3 n ASN 297 N -4.92 -6.20 0.00 2.17 3.02 -1.26 -5.10 115.26 102.97 2wm3 n ASN 297 Ca -0.08 -0.53 0.04 0.00 -0.03 0.00 0.00 54.58 53.99 2wm3 n ASN 297 Cb 0.27 -4.90 0.26 0.00 -0.61 0.00 0.00 39.78 34.80 2wm3 n ASN 297 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82