#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cw3 n ARG 9 N 0.00 -1.98 0.00 1.47 1.74 -1.26 -5.01 116.66 111.62 2cw3 n ARG 9 Ca 0.00 1.63 0.00 0.00 -0.77 0.00 0.00 57.85 58.71 2cw3 n ARG 9 Cb 0.00 -3.97 0.00 0.00 -1.02 0.00 0.00 32.46 27.47 2cw3 n ARG 9 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cw3 n MET 10 N -0.74 0.00 -4.94 5.56 0.00 -1.26 -5.01 117.12 110.74 2cw3 n MET 10 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.41 2cw3 n MET 10 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.64 2cw3 n MET 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2cw3 s THR 11 N -1.62 1.53 0.14 3.17 -1.32 -1.26 -5.12 115.64 111.15 2cw3 s THR 11 Ca 0.00 -0.82 -0.30 0.00 -1.21 0.00 0.00 61.69 59.36 2cw3 s THR 11 Cb 0.00 -1.28 -0.07 0.00 -1.51 0.00 0.00 72.50 69.64 2cw3 s THR 11 CO 0.00 0.43 1.20 -0.22 -2.21 0.00 0.00 174.62 173.82 2cw3 s LEU 12 N -0.39 4.43 0.40 9.08 2.96 -1.26 -4.95 118.68 128.94 2cw3 s LEU 12 Ca 0.06 2.15 0.18 0.00 -0.22 0.00 0.00 54.13 56.30 2cw3 s LEU 12 Cb -0.08 -3.60 0.82 0.00 0.50 0.00 0.00 46.19 43.84 2cw3 s LEU 12 CO -0.00 -0.40 1.82 -0.65 -1.32 0.00 0.00 176.35 175.80 2cw3 h PRO 13 N 5.80 0.00 -5.06 0.98 0.11 -1.99 -3.46 132.00 128.38 2cw3 h PRO 13 Ca -0.43 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.19 2cw3 h PRO 13 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 2cw3 h PRO 13 CO 0.77 0.34 -0.56 1.52 -0.21 0.00 0.00 178.00 179.86 2cw3 s TYR 14 N -3.92 1.79 0.70 0.65 -0.85 -1.26 -5.11 117.35 109.35 2cw3 s TYR 14 Ca -0.02 -1.17 -0.09 0.00 -0.52 0.00 0.00 57.07 55.27 2cw3 s TYR 14 Cb 0.13 -1.14 0.04 0.00 0.38 0.00 0.00 41.96 41.37 2cw3 s TYR 14 CO 0.68 -0.23 1.04 0.20 -1.52 0.00 0.00 175.55 175.73 2cw3 s GLY 15 N -3.51 1.63 0.62 5.49 0.00 -1.26 -4.95 107.32 105.35 2cw3 s GLY 15 Ca 0.31 -0.69 0.34 0.00 0.00 0.00 0.00 44.72 44.68 2cw3 s GLY 15 CO 0.15 -0.30 2.21 1.41 0.00 0.00 0.00 173.10 176.57 2cw3 h LEU 16 N -0.62 0.00 -0.66 0.66 3.38 -1.97 -0.24 115.31 115.86 2cw3 h LEU 16 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2cw3 h LEU 16 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2cw3 h LEU 16 CO 0.62 0.00 -0.48 -0.62 0.09 0.00 0.00 178.44 178.06 2cw3 n GLU 17 N -3.48 0.88 0.19 1.13 1.02 -1.26 -3.65 120.64 115.46 2cw3 n GLU 17 Ca -0.01 -0.66 0.13 0.00 -0.02 0.00 0.00 57.16 56.59 2cw3 n GLU 17 Cb 0.19 -1.49 0.65 0.00 -0.02 0.00 0.00 31.44 30.78 2cw3 n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cw3 h ALA 18 N 3.66 1.00 -0.01 0.62 0.00 -1.39 -2.28 119.26 120.86 2cw3 h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cw3 h ALA 18 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cw3 h ALA 18 CO 0.00 0.00 -0.14 1.28 0.00 0.00 0.00 179.25 180.39 2cw3 n LEU 19 N -2.43 1.77 -4.76 0.00 4.77 -1.26 -0.58 117.00 114.52 2cw3 n LEU 19 Ca -0.01 -0.88 -0.39 0.00 -0.03 0.00 0.00 56.01 54.71 2cw3 n LEU 19 Cb 0.11 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2cw3 n LEU 19 CO 0.15 0.33 0.99 -1.61 -1.33 0.00 0.00 177.39 175.92 2cw3 s GLU 20 N -1.41 3.39 0.00 3.23 2.02 -0.86 -1.74 118.70 123.33 2cw3 s GLU 20 Ca 0.13 2.23 0.19 0.00 0.02 0.00 0.00 54.97 57.54 2cw3 s GLU 20 Cb 0.11 -2.40 0.79 0.00 0.10 0.00 0.00 34.13 32.73 2cw3 s GLU 20 CO 0.26 -0.99 1.55 -0.35 0.02 0.00 0.00 175.26 175.75 2cw3 n PRO 21 N -0.69 1.50 -0.03 0.39 -0.04 -1.26 -4.57 135.00 130.30 2cw3 n PRO 21 Ca 0.08 -0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 62.65 2cw3 n PRO 21 Cb 0.44 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2cw3 n PRO 21 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2cw3 h VAL 22 N 1.50 1.52 -3.44 0.52 2.07 -1.72 -3.44 116.25 113.26 2cw3 h VAL 22 Ca 0.00 -1.56 -0.57 0.00 0.82 0.00 0.00 66.70 65.39 2cw3 h VAL 22 Cb 0.33 2.57 -0.33 0.00 -1.52 0.00 0.00 31.29 32.34 2cw3 h VAL 22 CO 0.00 0.41 -0.84 -0.63 0.02 0.00 0.00 177.57 176.53 2cw3 s ILE 23 N -3.58 1.43 0.46 4.57 1.01 -0.71 -4.95 121.20 119.43 2cw3 s ILE 23 Ca -0.17 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 2cw3 s ILE 23 Cb 0.00 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 41.12 2cw3 s ILE 23 CO 0.69 0.42 0.90 -0.94 0.00 0.00 0.00 174.94 176.01 2cw3 s SER 24 N 0.51 6.66 0.22 3.58 1.04 -1.26 -2.22 113.70 122.23 2cw3 s SER 24 Ca -0.15 1.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 2cw3 s SER 24 Cb -0.16 -2.46 0.29 0.00 0.10 0.00 0.00 66.02 63.80 2cw3 s SER 24 CO 0.05 -0.47 1.64 0.00 0.98 0.00 0.00 173.24 175.45 2cw3 h ALA 25 N 1.29 0.55 -0.43 5.32 0.00 -1.90 -0.50 119.26 123.59 2cw3 h ALA 25 Ca -0.47 0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2cw3 h ALA 25 Cb 1.18 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2cw3 h ALA 25 CO 0.62 -0.41 0.08 0.00 0.00 0.00 0.00 179.25 179.54 2cw3 h ALA 26 N 1.61 0.46 -0.72 0.00 0.00 -1.93 -1.48 119.26 117.20 2cw3 h ALA 26 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2cw3 h ALA 26 Cb 0.53 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2cw3 h ALA 26 CO -0.60 -0.32 0.47 1.15 0.00 0.00 0.00 179.25 179.95 2cw3 h THR 27 N 0.21 1.19 -0.11 0.00 2.02 -1.51 -1.57 112.91 113.14 2cw3 h THR 27 Ca 0.21 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2cw3 h THR 27 Cb 0.26 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2cw3 h THR 27 CO -0.28 0.19 -0.17 0.58 0.37 0.00 0.00 175.52 176.21 2cw3 h VAL 28 N 0.98 1.18 0.34 3.16 2.07 -0.79 0.32 116.25 123.52 2cw3 h VAL 28 Ca 0.26 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2cw3 h VAL 28 Cb -0.09 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2cw3 h VAL 28 CO -0.06 0.25 -0.16 -0.78 0.02 0.00 0.00 177.57 176.84 2cw3 h ASP 29 N 0.17 -0.39 0.16 0.57 -0.00 -0.78 -1.50 116.42 114.65 2cw3 h ASP 29 Ca 0.03 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 56.91 2cw3 h ASP 29 Cb 0.41 0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.84 2cw3 h ASP 29 CO 0.03 0.06 -0.09 -0.26 -0.00 0.00 0.00 179.24 178.97 2cw3 h PHE 30 N -0.97 -0.23 -0.25 0.28 0.04 -1.29 0.14 116.94 114.67 2cw3 h PHE 30 Ca -0.05 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.77 2cw3 h PHE 30 Cb 0.51 0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 2cw3 h PHE 30 CO 0.03 -0.14 -0.08 1.25 -0.60 0.00 0.00 178.31 178.77 2cw3 h HIS 31 N -0.24 -0.17 0.11 -0.55 2.76 -0.43 -1.56 115.15 115.07 2cw3 h HIS 31 Ca -0.02 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 2cw3 h HIS 31 Cb 0.19 0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.27 2cw3 h HIS 31 CO -0.08 -0.13 -0.90 -0.92 -1.30 0.00 0.00 177.93 174.60 2cw3 h TYR 32 N -0.02 0.42 0.19 5.26 3.20 -1.30 0.18 116.97 124.91 2cw3 h TYR 32 Ca 0.12 -0.31 -0.31 0.00 3.14 0.00 0.00 58.73 61.38 2cw3 h TYR 32 Cb 0.21 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.48 2cw3 h TYR 32 CO -0.26 1.35 -1.37 -0.91 -1.64 0.00 0.00 178.16 175.33 2cw3 h ASN 33 N -0.47 0.64 0.00 -2.11 -0.26 -0.76 -1.67 115.58 110.95 2cw3 h ASN 33 Ca -0.18 -0.69 -0.06 0.00 -0.56 0.00 0.00 56.30 54.81 2cw3 h ASN 33 Cb 1.58 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.62 2cw3 h ASN 33 CO 0.09 1.54 -0.96 0.29 -1.06 0.00 0.00 177.43 177.33 2cw3 n LYS 34 N -3.63 0.51 0.06 0.81 4.76 -0.79 -4.22 118.16 115.66 2cw3 n LYS 34 Ca -0.13 0.38 -0.03 0.00 -2.87 0.00 0.00 58.31 55.67 2cw3 n LYS 34 Cb 1.07 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 32.67 2cw3 n LYS 34 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2cw3 h HIS 35 N -1.00 -0.15 0.69 2.13 3.86 -1.20 -0.87 115.15 118.61 2cw3 h HIS 35 Ca -0.09 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2cw3 h HIS 35 Cb 0.88 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2cw3 h HIS 35 CO -0.27 -0.10 -0.50 1.25 0.86 0.00 0.00 177.93 179.18 2cw3 h HIS 36 N -0.20 -1.36 -0.84 2.45 -0.00 -0.68 -2.86 115.15 111.65 2cw3 h HIS 36 Ca -0.02 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2cw3 h HIS 36 Cb 0.13 0.50 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 2cw3 h HIS 36 CO 0.15 -0.72 0.55 0.37 -0.00 0.00 0.00 177.93 178.28 2cw3 h GLN 37 N -1.14 1.06 -0.83 5.26 5.75 -1.44 -2.63 115.11 121.13 2cw3 h GLN 37 Ca -0.09 -0.06 0.22 0.00 -0.15 0.00 0.00 58.65 58.57 2cw3 h GLN 37 Cb 0.94 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 2cw3 h GLN 37 CO 0.04 0.70 0.58 0.78 -2.65 0.00 0.00 178.83 178.28 2cw3 h GLY 38 N 1.09 0.32 2.00 2.39 0.00 -0.92 -0.24 103.07 107.72 2cw3 h GLY 38 Ca 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2cw3 h GLY 38 CO -0.10 -0.00 -0.13 -0.97 0.00 0.00 0.00 176.54 175.34 2cw3 h TYR 39 N 0.15 0.00 -0.32 5.60 0.05 -1.36 -3.10 116.97 118.00 2cw3 h TYR 39 Ca 0.41 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.20 2cw3 h TYR 39 Cb 1.39 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.11 2cw3 h TYR 39 CO -0.00 0.13 0.20 0.82 -1.05 0.00 0.00 178.16 178.26 2cw3 h ILE 40 N 0.00 1.06 0.00 -2.88 2.04 -1.16 -0.34 117.51 116.24 2cw3 h ILE 40 Ca -0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2cw3 h ILE 40 Cb 0.66 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2cw3 h ILE 40 CO 0.02 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.80 2cw3 h GLN 41 N 0.41 0.00 -0.00 2.37 1.08 -1.66 -2.61 115.11 114.70 2cw3 h GLN 41 Ca 0.12 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.09 2cw3 h GLN 41 Cb -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2cw3 h GLN 41 CO -0.04 0.00 -0.96 0.87 -0.95 0.00 0.00 178.83 177.75 2cw3 h LYS 42 N 0.00 0.49 -0.09 1.46 1.57 -1.36 -3.20 116.57 115.43 2cw3 h LYS 42 Ca 0.00 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 2cw3 h LYS 42 Cb 0.71 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 2cw3 h LYS 42 CO 0.00 1.16 -0.04 1.25 -0.57 0.00 0.00 179.45 181.25 2cw3 h LEU 43 N 0.27 0.18 -0.54 2.94 5.85 -0.88 -1.93 115.31 121.21 2cw3 h LEU 43 Ca -0.09 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.32 2cw3 h LEU 43 Cb 1.60 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.50 2cw3 h LEU 43 CO 0.17 0.55 0.10 -0.07 -0.34 0.00 0.00 178.44 178.85 2cw3 h LEU 44 N -0.18 -0.02 -0.37 2.25 3.38 -1.59 -1.83 115.31 116.94 2cw3 h LEU 44 Ca 0.02 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2cw3 h LEU 44 Cb 0.47 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2cw3 h LEU 44 CO 0.01 0.01 -0.22 0.44 0.09 0.00 0.00 178.44 178.78 2cw3 h ASP 45 N 0.23 0.83 0.41 -0.43 3.45 -1.54 0.13 116.42 119.50 2cw3 h ASP 45 Ca 0.28 -0.42 -0.08 0.00 0.43 0.00 0.00 57.03 57.23 2cw3 h ASP 45 Cb 0.39 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 2cw3 h ASP 45 CO -0.37 1.07 -0.40 0.00 -1.57 0.00 0.00 179.24 177.97 2cw3 h ALA 46 N 0.79 1.33 0.00 3.45 0.00 -1.06 -3.07 119.26 120.70 2cw3 h ALA 46 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2cw3 h ALA 46 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2cw3 h ALA 46 CO 0.06 0.50 -1.58 0.25 0.00 0.00 0.00 179.25 178.48 2cw3 n THR 47 N -4.05 0.14 -1.79 0.00 -2.24 -0.71 -4.82 114.28 100.81 2cw3 n THR 47 Ca -0.02 -0.43 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 2cw3 n THR 47 Cb 0.43 0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 2cw3 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cw3 n GLY 48 N 1.28 1.42 3.77 3.38 0.00 0.44 -5.00 105.19 110.48 2cw3 n GLY 48 Ca -0.02 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2cw3 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cw3 s LEU 49 N -5.07 3.63 0.52 0.99 1.43 -1.11 -5.03 118.68 114.03 2cw3 s LEU 49 Ca 0.00 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2cw3 s LEU 49 Cb 0.00 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2cw3 s LEU 49 CO 0.00 -0.04 0.81 -2.16 0.23 0.00 0.00 176.35 175.19 2cw3 s PRO 50 N -3.80 3.24 0.25 1.29 0.04 -1.26 -4.74 135.00 130.01 2cw3 s PRO 50 Ca 0.33 0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.32 2cw3 s PRO 50 Cb -0.07 -2.37 0.45 0.00 0.04 0.00 0.00 34.50 32.55 2cw3 s PRO 50 CO 0.23 -0.40 1.65 0.93 0.04 0.00 0.00 177.00 179.46 2cw3 h GLU 51 N 0.10 0.15 -0.43 4.56 5.08 -1.99 -0.20 114.58 121.85 2cw3 h GLU 51 Ca -0.46 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.00 2cw3 h GLU 51 Cb 1.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2cw3 h GLU 51 CO 0.61 0.10 0.30 0.66 -1.00 0.00 0.00 179.01 179.68 2cw3 h SER 52 N 0.15 0.05 -0.48 1.42 4.64 -2.05 -2.32 113.55 114.96 2cw3 h SER 52 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2cw3 h SER 52 Cb 0.73 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2cw3 h SER 52 CO -0.61 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 175.92 2cw3 n ARG 53 N -4.43 2.53 -3.87 4.77 1.74 -0.10 -4.88 116.66 112.42 2cw3 n ARG 53 Ca 0.07 -2.33 -0.36 0.00 -0.77 0.00 0.00 57.85 54.46 2cw3 n ARG 53 Cb 0.47 -1.52 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 2cw3 n ARG 53 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2cw3 s ILE 54 N -1.37 4.01 -0.34 0.55 -4.36 -0.88 -4.91 121.20 113.89 2cw3 s ILE 54 Ca 0.41 -0.28 -0.12 0.00 -0.26 0.00 0.00 60.65 60.40 2cw3 s ILE 54 Cb 0.23 -2.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.09 2cw3 s ILE 54 CO 0.32 0.38 0.23 0.21 0.24 0.00 0.00 174.94 176.32 2cw3 s ASN 55 N 1.42 5.94 0.09 4.36 3.84 -1.26 -5.00 114.94 124.34 2cw3 s ASN 55 Ca 0.05 -0.53 -0.29 0.00 0.21 0.00 0.00 52.86 52.29 2cw3 s ASN 55 Cb -0.15 -2.11 -0.13 0.00 -0.55 0.00 0.00 41.25 38.32 2cw3 s ASN 55 CO 0.01 -0.26 1.64 0.25 -2.79 0.00 0.00 177.10 175.95 2cw3 h LEU 56 N 8.48 -0.72 -1.56 3.21 5.85 -1.97 -2.53 115.31 126.07 2cw3 h LEU 56 Ca -0.31 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2cw3 h LEU 56 Cb 1.15 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2cw3 h LEU 56 CO 0.64 -0.40 0.34 0.11 -0.34 0.00 0.00 178.44 178.79 2cw3 h LYS 57 N -0.60 0.56 -0.07 1.25 1.57 -1.95 -2.28 116.57 115.05 2cw3 h LYS 57 Ca -0.02 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2cw3 h LYS 57 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2cw3 h LYS 57 CO -0.03 0.37 0.00 0.77 -0.57 0.00 0.00 179.45 179.99 2cw3 h SER 58 N 0.57 -0.02 -0.44 0.86 0.02 -1.89 -0.30 113.55 112.36 2cw3 h SER 58 Ca 0.20 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2cw3 h SER 58 Cb 0.10 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2cw3 h SER 58 CO -0.05 0.00 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.42 2cw3 h LEU 59 N 0.03 0.89 0.21 5.07 3.38 -1.29 -2.21 115.31 121.38 2cw3 h LEU 59 Ca 0.03 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2cw3 h LEU 59 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2cw3 h LEU 59 CO -0.05 1.07 -0.23 0.58 0.09 0.00 0.00 178.44 179.90 2cw3 h VAL 60 N 0.70 0.50 0.00 1.22 2.07 -1.24 -2.26 116.25 117.25 2cw3 h VAL 60 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2cw3 h VAL 60 Cb 0.71 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2cw3 h VAL 60 CO 0.05 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.35 2cw3 h THR 61 N -0.48 0.00 -0.14 2.57 1.35 -1.04 -2.35 112.91 112.82 2cw3 h THR 61 Ca 0.00 -0.22 -0.12 0.00 -0.55 0.00 0.00 66.41 65.52 2cw3 h THR 61 Cb 0.46 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2cw3 h THR 61 CO -0.07 0.00 -0.43 -0.07 -0.25 0.00 0.00 175.52 174.70 2cw3 h LEU 62 N 0.00 0.36 -0.05 3.87 3.38 -0.78 -3.49 115.31 118.60 2cw3 h LEU 62 Ca 0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2cw3 h LEU 62 Cb 0.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2cw3 h LEU 62 CO 0.00 0.75 -0.10 0.61 0.09 0.00 0.00 178.44 179.78 2cw3 n GLY 63 N -0.08 -2.54 0.26 0.83 0.00 -0.88 -3.92 105.19 98.85 2cw3 n GLY 63 Ca -0.02 -1.43 0.10 0.00 0.00 0.00 0.00 46.02 44.68 2cw3 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cw3 h PRO 64 N -0.12 0.00 -0.03 1.61 0.13 -1.88 0.15 132.00 131.85 2cw3 h PRO 64 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2cw3 h PRO 64 Cb 0.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 2cw3 h PRO 64 CO 0.01 0.11 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.44 2cw3 h ASP 65 N 0.00 0.06 0.09 1.44 3.32 -1.87 0.12 116.42 119.58 2cw3 h ASP 65 Ca -0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 2cw3 h ASP 65 Cb 0.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2cw3 h ASP 65 CO 0.01 0.46 -0.04 0.03 -1.72 0.00 0.00 179.24 177.98 2cw3 h ARG 66 N -0.34 -0.12 0.00 3.56 -0.00 -1.61 -3.33 114.38 112.54 2cw3 h ARG 66 Ca 0.01 0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.39 2cw3 h ARG 66 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.42 2cw3 h ARG 66 CO 0.00 0.37 -0.52 0.00 0.00 0.00 0.00 179.97 179.83 2cw3 h ALA 67 N 0.12 0.78 0.00 0.04 0.00 -0.85 -3.50 119.26 115.85 2cw3 h ALA 67 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cw3 h ALA 67 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cw3 h ALA 67 CO 0.02 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2cw3 n GLY 68 N 0.76 1.22 0.20 0.00 0.00 0.42 -4.63 105.19 103.16 2cw3 n GLY 68 Ca 0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 2cw3 n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2cw3 h GLU 69 N 0.00 0.21 -0.06 1.61 4.57 -1.88 -0.61 114.58 118.42 2cw3 h GLU 69 Ca 0.00 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 2cw3 h GLU 69 Cb 0.00 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2cw3 h GLU 69 CO 0.00 0.14 -0.67 -0.91 -1.18 0.00 0.00 179.01 176.39 2cw3 h ASN 70 N 0.22 0.70 -0.22 1.04 4.21 -1.91 -1.47 115.58 118.14 2cw3 h ASN 70 Ca 0.25 -0.69 0.05 0.00 1.21 0.00 0.00 56.30 57.12 2cw3 h ASN 70 Cb 0.34 -0.21 -0.06 0.00 -1.12 0.00 0.00 38.32 37.28 2cw3 h ASN 70 CO -0.34 1.29 -0.14 0.58 -1.29 0.00 0.00 177.43 177.53 2cw3 h VAL 71 N 0.16 0.59 0.48 2.81 2.07 -1.77 -1.96 116.25 118.63 2cw3 h VAL 71 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2cw3 h VAL 71 Cb 1.34 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2cw3 h VAL 71 CO 0.14 0.00 -0.23 0.15 0.02 0.00 0.00 177.57 177.64 2cw3 h PHE 72 N -0.13 -0.60 -0.85 1.57 3.57 -1.09 -0.74 116.94 118.67 2cw3 h PHE 72 Ca 0.13 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2cw3 h PHE 72 Cb 0.32 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2cw3 h PHE 72 CO -0.30 -0.37 0.55 -0.91 -2.23 0.00 0.00 178.31 175.05 2cw3 h ASN 73 N -0.66 0.56 0.01 0.41 2.35 -1.14 0.84 115.58 117.95 2cw3 h ASN 73 Ca -0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2cw3 h ASN 73 Cb 0.50 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2cw3 h ASN 73 CO 0.11 0.28 -0.00 0.00 -1.65 0.00 0.00 177.43 176.17 2cw3 h ALA 74 N 1.61 -0.01 -0.63 -0.83 0.00 -1.10 -2.85 119.26 115.46 2cw3 h ALA 74 Ca 0.43 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2cw3 h ALA 74 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2cw3 h ALA 74 CO -0.18 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.05 2cw3 h ALA 75 N 0.07 0.84 -0.97 0.00 0.00 -0.57 -1.60 119.26 117.03 2cw3 h ALA 75 Ca -0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2cw3 h ALA 75 Cb 0.85 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2cw3 h ALA 75 CO 0.00 0.65 0.63 0.78 0.00 0.00 0.00 179.25 181.32 2cw3 h GLY 76 N 0.99 1.44 2.00 0.00 0.00 -0.96 -1.32 103.07 105.22 2cw3 h GLY 76 Ca 0.18 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2cw3 h GLY 76 CO 0.02 0.35 -0.68 1.46 0.00 0.00 0.00 176.54 177.69 2cw3 h GLN 77 N 1.15 0.00 -0.08 4.80 1.08 -1.14 0.42 115.11 121.34 2cw3 h GLN 77 Ca 0.41 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.42 2cw3 h GLN 77 Cb 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2cw3 h GLN 77 CO -0.15 0.68 -0.69 0.82 -0.95 0.00 0.00 178.83 178.53 2cw3 h ILE 78 N 0.00 1.34 0.27 2.54 2.04 -0.99 -1.63 117.51 121.08 2cw3 h ILE 78 Ca -0.01 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 2cw3 h ILE 78 Cb 1.20 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2cw3 h ILE 78 CO 0.09 0.61 -0.13 0.22 0.00 0.00 0.00 178.15 178.93 2cw3 h TYR 79 N 0.24 -0.33 -0.99 1.37 3.20 -1.16 0.40 116.97 119.70 2cw3 h TYR 79 Ca -0.06 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.86 2cw3 h TYR 79 Cb 1.35 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.66 2cw3 h TYR 79 CO 0.11 -0.11 0.64 -0.91 -1.64 0.00 0.00 178.16 176.26 2cw3 h ASN 80 N -0.51 1.02 -0.12 -2.11 2.35 -0.19 -1.16 115.58 114.86 2cw3 h ASN 80 Ca -0.04 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 2cw3 h ASN 80 Cb 0.38 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.55 2cw3 h ASN 80 CO 0.06 0.65 -0.74 0.45 -1.65 0.00 0.00 177.43 176.20 2cw3 h HIS 81 N 1.16 0.98 -0.77 1.19 3.86 -1.26 -1.26 115.15 119.05 2cw3 h HIS 81 Ca 0.43 -0.45 0.17 0.00 -1.16 0.00 0.00 60.37 59.36 2cw3 h HIS 81 Cb 0.17 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.39 2cw3 h HIS 81 CO -0.00 1.27 0.22 -0.91 0.86 0.00 0.00 177.93 179.37 2cw3 h ASN 82 N 0.41 0.09 -0.14 2.45 -0.26 -0.07 -0.81 115.58 117.26 2cw3 h ASN 82 Ca -0.06 0.14 -0.12 0.00 -0.56 0.00 0.00 56.30 55.71 2cw3 h ASN 82 Cb 1.38 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 2cw3 h ASN 82 CO 0.15 -0.02 -0.31 0.24 -1.06 0.00 0.00 177.43 176.43 2cw3 h MET 83 N 0.31 0.62 0.71 0.81 2.86 -1.04 -3.11 114.93 116.09 2cw3 h MET 83 Ca 0.44 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2cw3 h MET 83 Cb 0.76 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.41 2cw3 h MET 83 CO -0.51 0.86 -0.34 -0.92 1.06 0.00 0.00 176.91 177.06 2cw3 h TYR 84 N 0.53 -0.88 -0.94 -0.22 3.20 0.05 -0.74 116.97 117.98 2cw3 h TYR 84 Ca 0.06 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2cw3 h TYR 84 Cb 0.80 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 2cw3 h TYR 84 CO 0.03 -0.53 0.61 -1.49 -1.64 0.00 0.00 178.16 175.14 2cw3 h TRP 85 N -1.00 1.09 0.00 -3.82 -0.00 -1.44 -1.41 115.95 109.37 2cw3 h TRP 85 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 2cw3 h TRP 85 Cb 0.74 -0.36 0.00 0.00 -0.00 0.00 0.00 29.16 29.54 2cw3 h TRP 85 CO -0.02 0.56 0.00 1.28 -0.00 0.00 0.00 178.44 180.27 2cw3 n LEU 86 N -4.50 0.81 0.00 -4.49 4.77 -1.08 -2.48 117.00 110.03 2cw3 n LEU 86 Ca 0.14 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.87 2cw3 n LEU 86 Cb 0.20 -0.38 0.79 0.00 -2.33 0.00 0.00 43.42 41.71 2cw3 n LEU 86 CO 0.32 -0.28 1.03 -1.20 -1.33 0.00 0.00 177.39 175.93 2cw3 n SER 87 N -2.28 0.00 -4.55 -1.43 7.64 -0.30 -4.71 113.62 107.99 2cw3 n SER 87 Ca 0.05 -0.37 -0.29 0.00 1.01 0.00 0.00 58.87 59.27 2cw3 n SER 87 Cb 0.38 -0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 2cw3 n SER 87 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2cw3 s MET 88 N -2.41 2.01 0.21 1.43 -1.94 -1.03 0.52 119.30 118.09 2cw3 s MET 88 Ca 0.33 -1.12 0.11 0.00 -1.71 0.00 0.00 55.69 53.30 2cw3 s MET 88 Cb 0.20 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.78 2cw3 s MET 88 CO 0.42 0.48 -0.21 0.14 -0.01 0.00 0.00 175.02 175.85 2cw3 s VAL 89 N -1.30 2.21 0.59 -6.03 -7.23 0.83 -4.64 120.40 104.84 2cw3 s VAL 89 Ca 0.21 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 2cw3 s VAL 89 Cb -0.10 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2cw3 s VAL 89 CO 0.13 -0.29 1.14 -2.65 -0.31 0.00 0.00 175.10 173.12 2cw3 n PRO 90 N -0.05 1.15 0.28 4.82 -0.02 -1.26 -4.77 135.00 135.15 2cw3 n PRO 90 Ca -0.10 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2cw3 n PRO 90 Cb 0.58 -2.34 0.80 0.00 -0.02 0.00 0.00 33.50 32.51 2cw3 n PRO 90 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2cw3 h THR 91 N 0.76 0.73 0.00 3.45 1.35 -1.09 0.24 112.91 118.35 2cw3 h THR 91 Ca -0.49 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 2cw3 h THR 91 Cb 1.34 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2cw3 h THR 91 CO 0.53 0.00 -0.13 0.28 -0.25 0.00 0.00 175.52 175.95 2cw3 h SER 92 N 0.00 0.00 -0.26 5.36 0.02 -1.89 -2.47 113.55 114.31 2cw3 h SER 92 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cw3 h SER 92 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cw3 h SER 92 CO 0.00 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 2cw3 n GLY 93 N -0.30 1.18 3.37 -3.77 0.00 0.83 -4.99 105.19 101.50 2cw3 n GLY 93 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2cw3 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cw3 n SER 94 N 1.14 -2.60 -0.53 1.61 7.64 -0.93 -4.16 113.62 115.78 2cw3 n SER 94 Ca 0.18 -0.39 -0.07 0.00 1.01 0.00 0.00 58.87 59.59 2cw3 n SER 94 Cb 0.53 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 2cw3 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cw3 n GLY 95 N 1.41 0.85 3.79 0.23 0.00 -1.26 -5.01 105.19 105.21 2cw3 n GLY 95 Ca 0.05 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2cw3 n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cw3 s ARG 96 N -2.22 3.37 0.41 1.61 6.06 -1.26 -5.00 118.95 121.92 2cw3 s ARG 96 Ca 0.00 1.31 -0.25 0.00 -2.50 0.00 0.00 55.73 54.29 2cw3 s ARG 96 Cb 0.00 -2.03 -0.08 0.00 0.06 0.00 0.00 34.95 32.89 2cw3 s ARG 96 CO 0.00 -0.78 1.15 -1.01 -2.50 0.00 0.00 175.30 172.16 2cw3 s HIS 97 N -2.25 3.06 0.12 5.12 3.76 -1.26 -4.97 115.29 118.88 2cw3 s HIS 97 Ca 0.66 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.83 2cw3 s HIS 97 Cb -0.18 -3.36 -0.07 0.00 1.11 0.00 0.00 32.58 30.08 2cw3 s HIS 97 CO 0.32 -1.26 1.25 0.54 -0.85 0.00 0.00 174.74 174.74 2cw3 s VAL 98 N -1.46 3.67 0.41 -0.90 0.11 -1.26 -4.86 120.40 116.11 2cw3 s VAL 98 Ca 0.58 1.27 -0.23 0.00 -2.93 0.00 0.00 61.98 60.67 2cw3 s VAL 98 Cb -0.29 -3.81 -0.13 0.00 -1.53 0.00 0.00 36.38 30.62 2cw3 s VAL 98 CO 0.37 0.14 0.56 -2.65 -3.33 0.00 0.00 175.10 170.18 2cw3 n PRO 99 N 3.41 0.58 0.02 1.54 -0.02 -1.26 -4.61 135.00 134.66 2cw3 n PRO 99 Ca 0.08 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2cw3 n PRO 99 Cb 0.45 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.88 2cw3 n PRO 99 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2cw3 h PRO 100 N 0.85 0.47 -0.40 0.52 0.11 -1.99 -0.22 132.00 131.34 2cw3 h PRO 100 Ca -0.40 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2cw3 h PRO 100 Cb 1.40 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2cw3 h PRO 100 CO 0.52 0.31 -0.22 -0.09 -0.21 0.00 0.00 178.00 178.31 2cw3 h ARG 101 N 0.48 0.85 -0.27 1.05 2.43 -2.01 -2.33 114.38 114.59 2cw3 h ARG 101 Ca 0.14 -0.39 -0.16 0.00 -0.81 0.00 0.00 59.98 58.77 2cw3 h ARG 101 Cb -0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2cw3 h ARG 101 CO -0.03 1.03 -0.47 1.25 -1.51 0.00 0.00 179.97 180.24 2cw3 h LEU 102 N 0.66 0.79 0.02 3.80 5.85 -1.78 -3.15 115.31 121.50 2cw3 h LEU 102 Ca 0.08 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2cw3 h LEU 102 Cb 0.79 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2cw3 h LEU 102 CO 0.06 1.13 -0.01 0.25 -0.34 0.00 0.00 178.44 179.53 2cw3 h LEU 103 N 0.58 -0.02 -1.95 2.25 5.85 -0.88 -0.87 115.31 120.25 2cw3 h LEU 103 Ca 0.03 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2cw3 h LEU 103 Cb 1.03 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2cw3 h LEU 103 CO 0.10 0.08 0.01 0.50 -0.34 0.00 0.00 178.44 178.79 2cw3 h LYS 104 N -0.13 0.04 -0.30 1.25 3.64 -1.49 0.77 116.57 120.35 2cw3 h LYS 104 Ca -0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2cw3 h LYS 104 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2cw3 h LYS 104 CO 0.00 0.04 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.90 2cw3 h LEU 105 N 0.04 0.73 -0.37 5.20 4.07 -1.38 -0.75 115.31 122.85 2cw3 h LEU 105 Ca 0.01 -0.46 0.03 0.00 0.08 0.00 0.00 57.88 57.55 2cw3 h LEU 105 Cb 0.01 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.51 2cw3 h LEU 105 CO -0.00 1.03 0.16 0.40 -1.08 0.00 0.00 178.44 178.95 2cw3 h ILE 106 N 0.44 0.95 -0.18 1.22 2.04 0.25 -1.85 117.51 120.38 2cw3 h ILE 106 Ca 0.05 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2cw3 h ILE 106 Cb 0.81 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2cw3 h ILE 106 CO 0.06 0.06 -0.07 0.03 0.00 0.00 0.00 178.15 178.24 2cw3 h ARG 107 N 0.34 0.36 -0.86 2.37 3.08 -0.89 0.16 114.38 118.94 2cw3 h ARG 107 Ca 0.16 -0.15 0.21 0.00 0.07 0.00 0.00 59.98 60.27 2cw3 h ARG 107 Cb 0.10 -0.01 -0.16 0.00 0.08 0.00 0.00 29.97 29.98 2cw3 h ARG 107 CO -0.13 0.65 -0.02 0.00 -1.07 0.00 0.00 179.97 179.39 2cw3 h ALA 108 N 0.70 0.88 0.04 0.04 0.00 -1.07 0.13 119.26 119.99 2cw3 h ALA 108 Ca 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2cw3 h ALA 108 Cb 0.53 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2cw3 h ALA 108 CO 0.02 -0.46 -0.44 0.00 0.00 0.00 0.00 179.25 178.36 2cw3 h ARG 109 N 0.06 0.08 0.00 0.00 -0.00 -0.62 -3.40 114.38 110.50 2cw3 h ARG 109 Ca 0.48 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.82 2cw3 h ARG 109 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.90 2cw3 h ARG 109 CO -0.80 1.07 -0.01 -2.67 0.00 0.00 0.00 179.97 177.56 2cw3 n TRP 110 N -4.43 0.00 0.00 3.04 2.14 0.51 -5.03 117.44 113.67 2cw3 n TRP 110 Ca -0.15 -0.69 0.00 0.00 2.07 0.00 0.00 57.50 58.73 2cw3 n TRP 110 Cb 0.61 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 2cw3 n TRP 110 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2cw3 n GLY 111 N -0.88 2.02 1.91 -1.67 0.00 0.46 -4.49 105.19 102.54 2cw3 n GLY 111 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2cw3 n GLY 111 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cw3 n ASN 112 N 3.85 -0.56 -0.24 1.61 5.15 -1.26 -4.50 115.26 119.30 2cw3 n ASN 112 Ca 0.00 -2.22 -0.08 0.00 -0.60 0.00 0.00 54.58 51.69 2cw3 n ASN 112 Cb 0.00 1.17 0.04 0.00 -0.53 0.00 0.00 39.78 40.46 2cw3 n ASN 112 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2cw3 h VAL 113 N 1.61 1.26 -0.72 3.44 -1.51 -1.88 -2.85 116.25 115.60 2cw3 h VAL 113 Ca -0.15 -0.94 0.12 0.00 -1.23 0.00 0.00 66.70 64.50 2cw3 h VAL 113 Cb 0.70 0.57 -0.09 0.00 -2.13 0.00 0.00 31.29 30.35 2cw3 h VAL 113 CO 0.21 0.36 0.30 -0.78 -1.23 0.00 0.00 177.57 176.42 2cw3 h ASP 114 N 1.01 0.30 -0.44 4.19 3.58 -1.97 0.13 116.42 123.22 2cw3 h ASP 114 Ca 0.21 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.66 2cw3 h ASP 114 Cb 0.36 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2cw3 h ASP 114 CO 0.00 0.14 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.36 2cw3 h GLU 115 N 0.47 0.89 -0.31 0.28 4.57 -1.77 -2.31 114.58 116.40 2cw3 h GLU 115 Ca 0.38 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2cw3 h GLU 115 Cb 0.53 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2cw3 h GLU 115 CO -0.36 0.92 -0.09 1.98 -1.18 0.00 0.00 179.01 180.28 2cw3 h MET 116 N 0.81 -0.02 -0.49 1.92 4.05 -1.08 -2.34 114.93 117.79 2cw3 h MET 116 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2cw3 h MET 116 Cb 0.57 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2cw3 h MET 116 CO 0.03 -0.01 0.32 -0.22 0.23 0.00 0.00 176.91 177.26 2cw3 h LYS 117 N -0.02 0.65 -0.33 0.39 3.64 -0.30 0.57 116.57 121.17 2cw3 h LYS 117 Ca 0.15 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2cw3 h LYS 117 Cb 0.25 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2cw3 h LYS 117 CO -0.33 0.44 -0.25 1.49 -2.27 0.00 0.00 179.45 178.53 2cw3 h GLU 118 N 0.67 0.75 -0.54 1.90 4.22 -1.20 -1.20 114.58 119.17 2cw3 h GLU 118 Ca 0.18 -0.37 -0.03 0.00 0.08 0.00 0.00 59.36 59.22 2cw3 h GLU 118 Cb -0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2cw3 h GLU 118 CO -0.04 0.99 0.22 -0.97 -2.18 0.00 0.00 179.01 177.03 2cw3 h ASN 119 N 0.52 0.71 -0.20 1.04 -0.00 -0.77 -1.87 115.58 115.01 2cw3 h ASN 119 Ca 0.06 -0.09 -0.04 0.00 -0.00 0.00 0.00 56.30 56.23 2cw3 h ASN 119 Cb 0.81 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.94 2cw3 h ASN 119 CO 0.07 0.64 -0.03 0.15 -0.00 0.00 0.00 177.43 178.26 2cw3 h PHE 120 N 0.78 0.42 -0.35 0.67 3.57 -0.54 -2.23 116.94 119.26 2cw3 h PHE 120 Ca 0.19 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2cw3 h PHE 120 Cb 0.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2cw3 h PHE 120 CO 0.01 0.61 0.21 0.52 -2.23 0.00 0.00 178.31 177.43 2cw3 h MET 121 N 0.11 0.42 0.23 1.11 2.86 -1.06 0.27 114.93 118.87 2cw3 h MET 121 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2cw3 h MET 121 Cb 0.47 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2cw3 h MET 121 CO 0.02 0.28 -0.13 0.00 1.06 0.00 0.00 176.91 178.13 2cw3 h ARG 122 N 0.43 -0.33 0.06 1.72 3.08 -1.27 0.13 114.38 118.20 2cw3 h ARG 122 Ca 0.13 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2cw3 h ARG 122 Cb -0.02 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2cw3 h ARG 122 CO -0.05 -0.22 -0.03 0.87 -1.07 0.00 0.00 179.97 179.47 2cw3 h LYS 123 N -0.34 -0.08 -0.11 0.04 1.57 -1.28 -2.42 116.57 113.95 2cw3 h LYS 123 Ca -0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2cw3 h LYS 123 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2cw3 h LYS 123 CO 0.04 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 2cw3 h ALA 124 N 0.68 1.80 0.00 3.86 0.00 -0.41 -2.62 119.26 122.56 2cw3 h ALA 124 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2cw3 h ALA 124 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2cw3 h ALA 124 CO 0.01 0.16 -0.37 1.15 0.00 0.00 0.00 179.25 180.20 2cw3 h THR 125 N 0.16 0.33 0.00 0.00 2.02 -0.69 -3.34 112.91 111.39 2cw3 h THR 125 Ca 0.04 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2cw3 h THR 125 Cb 0.11 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2cw3 h THR 125 CO 0.00 0.19 -0.90 0.00 0.37 0.00 0.00 175.52 175.17 2cw3 h ALA 126 N 1.79 0.52 -2.14 6.16 0.00 -1.07 -3.46 119.26 121.06 2cw3 h ALA 126 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2cw3 h ALA 126 Cb 1.17 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.98 2cw3 h ALA 126 CO 0.03 0.00 1.18 -0.11 0.00 0.00 0.00 179.25 180.34 2cw3 n LEU 127 N -2.58 3.72 -4.72 0.00 0.00 -1.08 -4.92 117.00 107.42 2cw3 n LEU 127 Ca 0.01 0.91 -0.37 0.00 0.00 0.00 0.00 56.01 56.55 2cw3 n LEU 127 Cb 0.53 -1.44 -0.06 0.00 0.00 0.00 0.00 43.42 42.45 2cw3 n LEU 127 CO 0.39 0.02 0.11 0.12 0.00 0.00 0.00 177.39 178.03 2cw3 s PHE 128 N 4.46 3.50 0.00 1.96 5.36 -1.26 -4.92 117.98 127.08 2cw3 s PHE 128 Ca 0.92 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 2cw3 s PHE 128 Cb -0.58 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.62 2cw3 s PHE 128 CO 0.47 0.19 0.00 0.41 -1.46 0.00 0.00 175.22 174.84 2cw3 n GLY 129 N 3.30 -1.00 3.75 13.12 0.00 -1.26 -4.88 105.19 118.22 2cw3 n GLY 129 Ca -0.09 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2cw3 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cw3 s SER 130 N -4.00 7.63 0.00 1.61 0.01 -1.26 -4.80 113.70 112.88 2cw3 s SER 130 Ca 0.00 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2cw3 s SER 130 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2cw3 s SER 130 CO 0.00 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2cw3 n GLY 131 N 1.43 -0.57 3.07 3.44 0.00 -1.26 -1.81 105.19 109.48 2cw3 n GLY 131 Ca -0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 2cw3 n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cw3 s TRP 132 N -3.14 0.07 -0.11 1.61 0.52 -0.18 -1.85 118.94 115.87 2cw3 s TRP 132 Ca 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 55.96 2cw3 s TRP 132 Cb 0.00 -0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.24 2cw3 s TRP 132 CO 0.00 -0.25 -0.17 0.42 0.02 0.00 0.00 176.95 176.97 2cw3 s ILE 133 N -1.27 2.68 0.03 2.03 -1.09 -0.81 -0.86 121.20 121.90 2cw3 s ILE 133 Ca -0.14 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 57.55 2cw3 s ILE 133 Cb -0.08 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 2cw3 s ILE 133 CO 0.01 0.54 -0.21 0.26 -1.23 0.00 0.00 174.94 174.31 2cw3 s TRP 134 N 0.23 1.88 -0.12 3.97 0.52 0.12 -0.27 118.94 125.27 2cw3 s TRP 134 Ca -0.11 -0.37 -0.19 0.00 0.02 0.00 0.00 56.10 55.44 2cw3 s TRP 134 Cb -0.16 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2cw3 s TRP 134 CO 0.06 0.06 0.51 -1.17 0.02 0.00 0.00 176.95 176.44 2cw3 s LEU 135 N -1.01 4.27 0.15 2.99 2.96 -0.37 -1.32 118.68 126.35 2cw3 s LEU 135 Ca 0.08 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 54.92 2cw3 s LEU 135 Cb -0.09 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2cw3 s LEU 135 CO 0.01 -0.04 -0.18 0.68 -1.32 0.00 0.00 176.35 175.51 2cw3 s VAL 136 N 0.76 1.71 -0.20 1.68 -7.23 0.61 0.63 120.40 118.36 2cw3 s VAL 136 Ca 0.27 -1.83 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 2cw3 s VAL 136 Cb -0.15 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2cw3 s VAL 136 CO 0.11 -0.30 0.43 0.86 -0.31 0.00 0.00 175.10 175.89 2cw3 s TRP 137 N -1.94 3.38 -0.81 2.82 -0.11 0.41 -1.06 118.94 121.63 2cw3 s TRP 137 Ca 0.13 0.66 -0.17 0.00 1.22 0.00 0.00 56.10 57.94 2cw3 s TRP 137 Cb -0.06 -2.56 0.16 0.00 -1.50 0.00 0.00 33.47 29.52 2cw3 s TRP 137 CO 0.06 -0.02 0.87 0.34 -4.62 0.00 0.00 176.95 173.57 2cw3 s ASP 138 N 1.05 6.59 0.17 5.86 3.68 0.80 -0.99 116.67 133.83 2cw3 s ASP 138 Ca 0.20 -2.20 -0.22 0.00 2.13 0.00 0.00 52.55 52.46 2cw3 s ASP 138 Cb -0.15 -2.29 0.09 0.00 -1.45 0.00 0.00 42.92 39.12 2cw3 s ASP 138 CO 0.08 -0.85 1.60 0.74 0.13 0.00 0.00 175.17 176.87 2cw3 h THR 139 N 5.39 0.22 -0.78 1.71 2.02 -1.80 0.59 112.91 120.26 2cw3 h THR 139 Ca 0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.33 2cw3 h THR 139 Cb 1.05 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 2cw3 h THR 139 CO 0.95 0.00 0.51 -0.09 0.37 0.00 0.00 175.52 177.26 2cw3 h ARG 140 N -0.21 0.59 -0.28 6.66 1.12 -1.91 -2.48 114.38 117.88 2cw3 h ARG 140 Ca 0.20 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2cw3 h ARG 140 Cb 0.54 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 2cw3 h ARG 140 CO -0.59 0.39 0.00 0.39 -3.11 0.00 0.00 179.97 177.06 2cw3 n GLU 141 N -4.51 2.14 -3.87 0.20 -0.58 -0.44 -5.00 120.64 108.59 2cw3 n GLU 141 Ca 0.14 -1.99 -0.30 0.00 -0.42 0.00 0.00 57.16 54.59 2cw3 n GLU 141 Cb 0.41 -1.40 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 2cw3 n GLU 141 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2cw3 n ARG 142 N 1.13 -4.41 -3.57 3.49 1.74 0.19 -4.94 116.66 110.30 2cw3 n ARG 142 Ca 0.15 0.52 -0.15 0.00 -0.77 0.00 0.00 57.85 57.59 2cw3 n ARG 142 Cb 0.51 -5.33 -0.06 0.00 -1.02 0.00 0.00 32.46 26.56 2cw3 n ARG 142 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2cw3 s ARG 143 N -6.56 1.02 0.50 5.56 1.70 -1.12 -4.98 118.95 115.07 2cw3 s ARG 143 Ca 0.63 -0.06 -0.23 0.00 -0.47 0.00 0.00 55.73 55.60 2cw3 s ARG 143 Cb -0.33 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 2cw3 s ARG 143 CO 0.77 -0.35 1.36 1.28 -1.08 0.00 0.00 175.30 177.28 2cw3 n LEU 144 N 0.65 5.10 -3.76 -1.89 4.77 -1.26 -0.14 117.00 120.46 2cw3 n LEU 144 Ca -0.19 1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 2cw3 n LEU 144 Cb 0.59 -1.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.04 2cw3 n LEU 144 CO 0.21 -0.50 0.01 -0.62 -1.33 0.00 0.00 177.39 175.16 2cw3 s ASP 145 N -0.72 -0.09 -0.18 -1.43 3.68 -0.22 -4.82 116.67 112.89 2cw3 s ASP 145 Ca 0.67 -0.28 -0.04 0.00 2.13 0.00 0.00 52.55 55.02 2cw3 s ASP 145 Cb -0.44 0.36 -0.02 0.00 -1.45 0.00 0.00 42.92 41.37 2cw3 s ASP 145 CO 0.53 -0.65 -0.02 -0.76 0.13 0.00 0.00 175.17 174.40 2cw3 s LEU 146 N -2.26 3.23 0.09 -1.34 1.43 -1.26 -0.28 118.68 118.29 2cw3 s LEU 146 Ca -0.03 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2cw3 s LEU 146 Cb 0.00 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2cw3 s LEU 146 CO -0.05 0.11 -0.11 0.68 0.23 0.00 0.00 176.35 177.20 2cw3 s VAL 147 N 0.74 0.97 0.06 -1.59 -7.23 -0.43 -4.98 120.40 107.93 2cw3 s VAL 147 Ca -0.01 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2cw3 s VAL 147 Cb -0.14 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2cw3 s VAL 147 CO 0.02 -0.48 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.47 2cw3 s GLY 148 N -2.28 1.85 0.12 2.32 0.00 -1.26 0.15 107.32 108.23 2cw3 s GLY 148 Ca 0.03 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.72 2cw3 s GLY 148 CO 0.01 -1.02 -0.13 -0.51 0.00 0.00 0.00 173.10 171.45 2cw3 s THR 149 N -1.19 1.27 0.12 0.90 -4.23 -0.04 -4.98 115.64 107.48 2cw3 s THR 149 Ca 0.22 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 2cw3 s THR 149 Cb -0.11 -1.56 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 2cw3 s THR 149 CO 0.14 -0.48 0.38 -0.54 -0.54 0.00 0.00 174.62 173.57 2cw3 s LYS 150 N -2.85 3.65 3.97 3.99 3.01 -1.26 -1.01 119.74 129.24 2cw3 s LYS 150 Ca 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 2cw3 s LYS 150 Cb -0.04 -2.90 0.00 0.00 -1.01 0.00 0.00 37.83 33.88 2cw3 s LYS 150 CO 0.02 0.50 0.00 -0.25 0.51 0.00 0.00 175.35 176.14 2cw3 n ASP 151 N 0.37 0.00 -0.70 2.83 8.00 -0.75 -0.94 116.55 125.35 2cw3 n ASP 151 Ca -0.04 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.56 2cw3 n ASP 151 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.67 2cw3 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cw3 n ALA 152 N 9.25 2.95 -1.12 2.24 0.00 -1.26 -4.58 120.51 127.99 2cw3 n ALA 152 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2cw3 n ALA 152 Cb 0.00 -0.76 0.16 0.00 0.00 0.00 0.00 19.45 18.85 2cw3 n ALA 152 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2cw3 s HIS 153 N -2.12 2.14 0.18 0.00 3.76 -0.12 -4.42 115.29 114.71 2cw3 s HIS 153 Ca 0.22 1.17 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 2cw3 s HIS 153 Cb 0.18 -3.20 0.05 0.00 1.11 0.00 0.00 32.58 30.73 2cw3 s HIS 153 CO 0.41 -2.72 0.81 -1.54 -0.85 0.00 0.00 174.74 170.85 2cw3 s SER 154 N -3.34 -0.29 0.41 1.40 1.04 -1.26 -4.65 113.70 107.01 2cw3 s SER 154 Ca 0.65 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.81 2cw3 s SER 154 Cb -0.19 0.58 0.91 0.00 0.10 0.00 0.00 66.02 67.42 2cw3 s SER 154 CO 0.58 -1.04 1.99 -0.65 0.98 0.00 0.00 173.24 175.10 2cw3 h PRO 155 N 2.00 0.52 -0.51 4.02 0.11 -1.97 0.01 132.00 136.18 2cw3 h PRO 155 Ca -0.23 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.88 2cw3 h PRO 155 Cb 1.25 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2cw3 h PRO 155 CO 0.27 0.35 0.28 1.25 -0.21 0.00 0.00 178.00 179.93 2cw3 h LEU 156 N 0.54 0.42 -0.08 2.35 6.46 -1.96 -1.77 115.31 121.27 2cw3 h LEU 156 Ca 0.25 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 2cw3 h LEU 156 Cb 0.31 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 2cw3 h LEU 156 CO -0.07 0.29 -0.03 0.28 -0.62 0.00 0.00 178.44 178.29 2cw3 h SER 157 N 0.54 -0.09 -0.32 1.25 0.02 -1.50 -3.17 113.55 110.28 2cw3 h SER 157 Ca 0.21 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.26 2cw3 h SER 157 Cb 0.08 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 2cw3 h SER 157 CO -0.13 -0.04 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.00 2cw3 h GLU 158 N -0.01 -0.15 -0.07 3.45 5.08 -0.70 -3.46 114.58 118.71 2cw3 h GLU 158 Ca 0.04 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2cw3 h GLU 158 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cw3 h GLU 158 CO -0.09 -0.10 -0.03 -3.47 -1.00 0.00 0.00 179.01 174.32 2cw3 n ASP 159 N -5.36 -4.36 -0.04 1.42 4.64 -0.69 -4.89 116.55 107.26 2cw3 n ASP 159 Ca 0.01 0.04 -0.15 0.00 -1.38 0.00 0.00 54.79 53.30 2cw3 n ASP 159 Cb 0.27 -1.99 -0.08 0.00 -1.04 0.00 0.00 41.12 38.28 2cw3 n ASP 159 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2cw3 h ALA 160 N 0.00 0.20 0.00 -1.67 0.00 -1.89 -3.47 119.26 112.43 2cw3 h ALA 160 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2cw3 h ALA 160 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2cw3 h ALA 160 CO 0.05 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2cw3 n GLY 161 N 0.63 0.00 3.52 0.00 0.00 -1.26 -4.92 105.19 103.15 2cw3 n GLY 161 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2cw3 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cw3 s LYS 162 N 0.00 3.29 -0.10 1.61 0.00 -1.26 -2.71 119.74 120.57 2cw3 s LYS 162 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 55.97 55.41 2cw3 s LYS 162 Cb 0.00 -3.95 -0.03 0.00 0.00 0.00 0.00 37.83 33.84 2cw3 s LYS 162 CO 0.00 -1.04 0.66 0.42 0.00 0.00 0.00 175.35 175.39 2cw3 s ILE 163 N 2.90 5.06 0.01 3.79 1.01 -0.16 -4.42 121.20 129.39 2cw3 s ILE 163 Ca 0.24 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 2cw3 s ILE 163 Cb -0.14 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2cw3 s ILE 163 CO 0.19 0.23 1.12 -2.84 0.00 0.00 0.00 174.94 173.64 2cw3 s PRO 164 N 1.00 4.46 -0.20 2.79 0.02 -1.26 -0.45 135.00 141.36 2cw3 s PRO 164 Ca 0.34 1.61 -0.06 0.00 0.02 0.00 0.00 61.00 62.92 2cw3 s PRO 164 Cb -0.17 -3.44 -0.10 0.00 0.02 0.00 0.00 34.50 30.81 2cw3 s PRO 164 CO 0.15 -0.23 -0.23 1.28 -0.33 0.00 0.00 177.00 177.65 2cw3 n LEU 165 N 4.24 2.07 -3.94 -5.54 4.32 0.20 -4.91 117.00 113.44 2cw3 n LEU 165 Ca 0.08 0.11 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 2cw3 n LEU 165 Cb 0.48 -0.63 -0.08 0.00 -1.62 0.00 0.00 43.42 41.57 2cw3 n LEU 165 CO 0.54 0.59 -0.15 0.72 -1.22 0.00 0.00 177.39 177.87 2cw3 s PHE 166 N -2.38 0.30 -0.00 -1.77 -0.12 -1.07 -4.05 117.98 108.90 2cw3 s PHE 166 Ca -0.27 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 55.88 2cw3 s PHE 166 Cb 0.09 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 2cw3 s PHE 166 CO 0.39 -0.53 -0.06 -0.08 -0.05 0.00 0.00 175.22 174.89 2cw3 s THR 167 N -3.90 0.46 -0.25 -4.49 -1.32 -1.26 -1.23 115.64 103.65 2cw3 s THR 167 Ca 0.08 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.22 2cw3 s THR 167 Cb 0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 2cw3 s THR 167 CO -0.09 0.10 -0.01 0.00 -2.21 0.00 0.00 174.62 172.41 2cw3 s ASP 169 N 1.45 6.85 0.00 0.00 3.68 -1.26 -1.93 116.67 125.46 2cw3 s ASP 169 Ca 0.04 2.25 0.02 0.00 2.13 0.00 0.00 52.55 56.99 2cw3 s ASP 169 Cb -0.16 -2.58 0.04 0.00 -1.45 0.00 0.00 42.92 38.78 2cw3 s ASP 169 CO -0.02 -0.66 0.82 0.52 0.13 0.00 0.00 175.17 175.97 2cw3 n VAL 170 N 4.13 0.53 -1.74 1.11 0.31 -0.77 -4.87 118.33 117.03 2cw3 n VAL 170 Ca 0.12 -0.77 -0.38 0.00 -0.01 0.00 0.00 64.34 63.30 2cw3 n VAL 170 Cb 0.43 0.76 0.05 0.00 -0.91 0.00 0.00 33.84 34.16 2cw3 n VAL 170 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2cw3 n TRP 171 N -0.10 2.25 0.26 3.52 7.02 -1.19 -4.54 117.44 124.66 2cw3 n TRP 171 Ca 0.02 0.43 0.11 0.00 -1.02 0.00 0.00 57.50 57.04 2cw3 n TRP 171 Cb 0.18 -2.35 0.72 0.00 -2.42 0.00 0.00 31.31 27.43 2cw3 n TRP 171 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2cw3 h GLU 172 N 1.33 0.00 -0.04 -0.99 5.08 -1.95 0.16 114.58 118.18 2cw3 h GLU 172 Ca -0.51 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2cw3 h GLU 172 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2cw3 h GLU 172 CO 0.57 0.10 0.04 1.12 -1.00 0.00 0.00 179.01 179.83 2cw3 h HIS 173 N 0.00 0.00 0.00 4.33 2.07 -1.99 0.27 115.15 119.83 2cw3 h HIS 173 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2cw3 h HIS 173 Cb 0.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 2cw3 h HIS 173 CO 0.00 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.58 2cw3 h ALA 174 N 1.96 1.29 0.00 6.11 0.00 -1.29 -3.37 119.26 123.95 2cw3 h ALA 174 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2cw3 h ALA 174 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2cw3 h ALA 174 CO -0.00 0.35 0.00 2.48 0.00 0.00 0.00 179.25 182.08 2cw3 n TYR 175 N -3.84 0.00 -0.15 0.00 0.18 -0.51 -4.94 117.16 107.90 2cw3 n TYR 175 Ca -0.02 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.72 2cw3 n TYR 175 Cb 0.37 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.48 2cw3 n TYR 175 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2cw3 h TYR 176 N 0.00 0.92 0.00 -3.48 3.20 -0.69 0.36 116.97 117.27 2cw3 h TYR 176 Ca 0.00 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2cw3 h TYR 176 Cb 0.14 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 2cw3 h TYR 176 CO 0.00 0.78 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.22 2cw3 h LEU 177 N 0.84 0.00 0.00 2.82 3.38 -1.86 -1.45 115.31 119.04 2cw3 h LEU 177 Ca 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 2cw3 h LEU 177 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2cw3 h LEU 177 CO 0.00 0.00 -1.90 0.47 0.09 0.00 0.00 178.44 177.11 2cw3 n ASP 178 N -3.10 2.64 0.00 -0.43 10.43 -0.81 -4.79 116.55 120.49 2cw3 n ASP 178 Ca 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.30 2cw3 n ASP 178 Cb 0.29 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 42.98 2cw3 n ASP 178 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2cw3 n TYR 179 N -3.03 0.00 0.00 1.24 4.01 0.12 -5.09 117.16 114.41 2cw3 n TYR 179 Ca -0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 2cw3 n TYR 179 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 2cw3 n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2cw3 n GLN 180 N -0.13 0.00 0.24 -0.72 3.00 -0.54 -0.95 117.38 118.27 2cw3 n GLN 180 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 2cw3 n GLN 180 Cb 0.01 0.00 0.77 0.00 0.00 0.00 0.00 30.24 31.03 2cw3 n GLN 180 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 2cw3 h HIS 181 N 0.00 0.00 -0.50 1.08 2.07 -1.93 -3.40 115.15 112.47 2cw3 h HIS 181 Ca 0.00 0.00 -0.70 0.00 -2.85 0.00 0.00 60.37 56.82 2cw3 h HIS 181 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 2cw3 h HIS 181 CO 0.00 0.00 2.65 -3.47 -3.07 0.00 0.00 177.93 174.04 2cw3 n ASP 182 N -2.72 4.39 -0.15 3.10 2.03 -0.13 -4.77 116.55 118.31 2cw3 n ASP 182 Ca -0.01 -2.89 -0.10 0.00 0.52 0.00 0.00 54.79 52.31 2cw3 n ASP 182 Cb 0.16 -1.67 -0.01 0.00 -0.72 0.00 0.00 41.12 38.88 2cw3 n ASP 182 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2cw3 h ARG 183 N 6.57 0.70 -0.85 -0.67 2.43 -1.83 -2.36 114.38 118.38 2cw3 h ARG 183 Ca 0.50 -0.19 0.21 0.00 -0.81 0.00 0.00 59.98 59.70 2cw3 h ARG 183 Cb 0.73 -0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.05 2cw3 h ARG 183 CO 1.69 0.74 0.05 0.00 -1.51 0.00 0.00 179.97 180.94 2cw3 h ALA 184 N 0.94 0.99 -0.29 2.80 0.00 -1.95 0.29 119.26 122.03 2cw3 h ALA 184 Ca 0.13 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.34 2cw3 h ALA 184 Cb 0.38 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2cw3 h ALA 184 CO 0.01 -0.47 0.12 0.00 0.00 0.00 0.00 179.25 178.90 2cw3 h ALA 185 N 1.81 0.34 -0.44 0.00 0.00 -1.82 -0.61 119.26 118.54 2cw3 h ALA 185 Ca 0.50 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.47 2cw3 h ALA 185 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2cw3 h ALA 185 CO -0.75 -0.28 0.20 -0.92 0.00 0.00 0.00 179.25 177.50 2cw3 h TYR 186 N 0.26 0.36 0.19 0.00 3.20 -0.90 -3.22 116.97 116.85 2cw3 h TYR 186 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2cw3 h TYR 186 Cb 0.08 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2cw3 h TYR 186 CO -0.12 0.17 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.30 2cw3 h LEU 187 N 0.40 -0.53 -1.07 2.82 4.07 0.76 -0.34 115.31 121.42 2cw3 h LEU 187 Ca 0.19 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.15 2cw3 h LEU 187 Cb 0.13 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2cw3 h LEU 187 CO -0.16 -0.29 0.06 0.71 -1.08 0.00 0.00 178.44 177.68 2cw3 h THR 188 N -0.42 1.22 0.16 0.22 1.35 -1.23 -2.84 112.91 111.37 2cw3 h THR 188 Ca 0.00 -0.85 -0.30 0.00 -0.55 0.00 0.00 66.41 64.72 2cw3 h THR 188 Cb 0.40 0.80 0.02 0.00 -1.73 0.00 0.00 68.15 67.65 2cw3 h THR 188 CO -0.06 0.30 -1.30 0.03 -0.25 0.00 0.00 175.52 174.25 2cw3 h ARG 189 N 0.69 0.43 -0.99 4.72 3.08 -1.56 -3.28 114.38 117.47 2cw3 h ARG 189 Ca 0.15 -0.68 0.16 0.00 0.07 0.00 0.00 59.98 59.68 2cw3 h ARG 189 Cb 0.34 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 2cw3 h ARG 189 CO 0.01 1.31 0.60 2.35 -1.07 0.00 0.00 179.97 183.17 2cw3 h TRP 190 N 0.14 1.07 -1.09 3.04 7.01 -0.90 -1.34 115.95 123.87 2cw3 h TRP 190 Ca -0.18 0.03 0.30 0.00 2.11 0.00 0.00 58.89 61.15 2cw3 h TRP 190 Cb 2.00 -0.33 -0.08 0.00 -2.10 0.00 0.00 29.16 28.65 2cw3 h TRP 190 CO 0.09 0.31 0.73 2.35 -2.79 0.00 0.00 178.44 179.13 2cw3 h TRP 191 N 0.84 0.48 0.00 2.65 7.01 -1.56 0.29 115.95 125.66 2cw3 h TRP 191 Ca 0.54 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.55 2cw3 h TRP 191 Cb 0.71 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 2cw3 h TRP 191 CO -0.01 0.02 0.00 -1.13 -2.79 0.00 0.00 178.44 174.53 2cw3 n SER 192 N -4.52 0.57 -0.44 2.65 3.41 -0.51 -2.55 113.62 112.24 2cw3 n SER 192 Ca 0.26 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.66 2cw3 n SER 192 Cb 1.01 -0.78 0.18 0.00 -0.26 0.00 0.00 64.21 64.36 2cw3 n SER 192 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2cw3 n LEU 193 N -2.16 1.71 -4.67 1.04 4.77 0.10 -4.11 117.00 113.67 2cw3 n LEU 193 Ca 0.02 -0.58 -0.47 0.00 -0.03 0.00 0.00 56.01 54.95 2cw3 n LEU 193 Cb 0.18 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2cw3 n LEU 193 CO 0.17 0.31 1.32 -0.38 -1.33 0.00 0.00 177.39 177.48 2cw3 n ILE 194 N -0.13 0.25 -2.66 -0.08 5.41 -1.06 -0.12 119.36 120.97 2cw3 n ILE 194 Ca 0.11 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.40 2cw3 n ILE 194 Cb 0.43 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 37.65 2cw3 n ILE 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2cw3 s ASN 195 N 2.23 6.68 0.28 4.38 3.04 0.18 -4.70 114.94 127.03 2cw3 s ASN 195 Ca 0.84 -2.00 -0.04 0.00 0.04 0.00 0.00 52.86 51.71 2cw3 s ASN 195 Cb -0.68 -2.53 0.37 0.00 -1.54 0.00 0.00 41.25 36.87 2cw3 s ASN 195 CO 0.43 -1.26 1.94 -0.50 -3.04 0.00 0.00 177.10 174.67 2cw3 h TRP 196 N 8.70 1.15 -0.19 0.43 4.06 -1.89 -0.24 115.95 127.97 2cw3 h TRP 196 Ca 0.28 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.31 2cw3 h TRP 196 Cb 0.95 -0.39 -0.06 0.00 -1.00 0.00 0.00 29.16 28.67 2cw3 h TRP 196 CO 1.29 0.71 -0.18 0.93 -3.56 0.00 0.00 178.44 177.63 2cw3 h GLU 197 N 1.23 -0.20 0.35 0.49 4.39 -1.89 0.20 114.58 119.16 2cw3 h GLU 197 Ca 0.35 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 2cw3 h GLU 197 Cb -0.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2cw3 h GLU 197 CO -0.08 -0.13 -0.24 0.35 -1.16 0.00 0.00 179.01 177.74 2cw3 h PHE 198 N -0.20 -0.64 -0.32 4.33 3.57 -1.76 -0.59 116.94 121.32 2cw3 h PHE 198 Ca 0.12 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2cw3 h PHE 198 Cb 0.38 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 2cw3 h PHE 198 CO -0.32 -0.37 -0.36 0.00 -2.23 0.00 0.00 178.31 175.03 2cw3 h ALA 199 N 0.01 -0.32 -0.55 2.41 0.00 -0.58 -1.45 119.26 118.78 2cw3 h ALA 199 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cw3 h ALA 199 Cb 0.50 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2cw3 h ALA 199 CO 0.02 -0.79 0.32 0.22 0.00 0.00 0.00 179.25 179.02 2cw3 h ASP 200 N -0.32 0.67 0.00 0.00 3.58 -0.53 -0.92 116.42 118.89 2cw3 h ASP 200 Ca 0.14 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2cw3 h ASP 200 Cb 0.56 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2cw3 h ASP 200 CO -0.50 0.54 0.19 -1.28 -2.88 0.00 0.00 179.24 175.31 2cw3 h SER 201 N 0.74 0.00 0.34 2.28 0.87 -0.12 -2.12 113.55 115.54 2cw3 h SER 201 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2cw3 h SER 201 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2cw3 h SER 201 CO -0.04 0.00 -0.17 0.59 -0.53 0.00 0.00 176.83 176.68 2cw3 n ASN 202 N -2.79 0.65 0.00 6.23 3.02 -0.35 -5.07 115.26 116.94 2cw3 n ASN 202 Ca -0.02 -0.64 0.02 0.00 -0.03 0.00 0.00 54.58 53.91 2cw3 n ASN 202 Cb 0.24 -0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.51 2cw3 n ASN 202 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82