#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cw3 h SER 5 N 0.00 0.00 -0.20 0.00 0.02 -2.00 -3.41 113.55 107.96 2cw3 h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cw3 h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2cw3 h SER 5 CO 0.00 0.05 0.00 -0.24 -1.14 0.00 0.00 176.83 175.50 2cw3 n SER 6 N -4.26 0.00 -0.92 3.07 2.88 -1.26 -4.69 113.62 108.44 2cw3 n SER 6 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2cw3 n SER 6 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2cw3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cw3 n GLY 7 N 5.00 -4.16 0.41 0.46 0.00 -1.26 -4.86 105.19 100.77 2cw3 n GLY 7 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2cw3 n GLY 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cw3 h LEU 8 N 1.37 -1.72 -6.69 0.99 5.85 -1.95 -3.36 115.31 109.81 2cw3 h LEU 8 Ca 0.00 0.28 -0.64 0.00 0.84 0.00 0.00 57.88 58.36 2cw3 h LEU 8 Cb 0.00 0.78 -0.40 0.00 0.37 0.00 0.00 40.66 41.41 2cw3 h LEU 8 CO 0.00 -0.31 -0.39 -1.14 -0.34 0.00 0.00 178.44 176.26 2cw3 n ARG 9 N -5.37 2.53 -2.76 1.25 3.00 -1.26 -5.00 116.66 109.05 2cw3 n ARG 9 Ca 0.02 -4.59 -0.42 0.00 -0.00 0.00 0.00 57.85 52.87 2cw3 n ARG 9 Cb 0.33 -2.31 -0.03 0.00 0.00 0.00 0.00 32.46 30.45 2cw3 n ARG 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2cw3 s MET 10 N -2.06 4.54 0.41 -0.14 1.75 -1.26 -5.04 119.30 117.51 2cw3 s MET 10 Ca 0.33 1.34 -0.23 0.00 -1.25 0.00 0.00 55.69 55.88 2cw3 s MET 10 Cb 0.05 -3.46 -0.10 0.00 2.84 0.00 0.00 34.83 34.17 2cw3 s MET 10 CO -0.06 -0.03 0.99 0.95 -0.65 0.00 0.00 175.02 176.21 2cw3 s THR 11 N 0.96 4.09 0.10 10.11 -4.23 -1.26 -4.98 115.64 120.45 2cw3 s THR 11 Ca 0.50 1.46 -0.31 0.00 -1.18 0.00 0.00 61.69 62.16 2cw3 s THR 11 Cb -0.21 -3.69 -0.09 0.00 1.34 0.00 0.00 72.50 69.86 2cw3 s THR 11 CO 0.27 -0.13 1.69 -0.76 -0.54 0.00 0.00 174.62 175.15 2cw3 s LEU 12 N -2.85 4.38 0.00 4.79 1.43 -1.26 -4.83 118.68 120.34 2cw3 s LEU 12 Ca 0.59 2.60 0.13 0.00 -1.03 0.00 0.00 54.13 56.42 2cw3 s LEU 12 Cb -0.15 -3.57 0.78 0.00 0.03 0.00 0.00 46.19 43.28 2cw3 s LEU 12 CO 0.20 -0.92 1.25 -2.65 0.23 0.00 0.00 176.35 174.46 2cw3 n PRO 13 N 5.33 0.61 -3.94 1.29 -0.02 -1.26 -4.79 135.00 132.23 2cw3 n PRO 13 Ca 0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.56 2cw3 n PRO 13 Cb 0.39 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 2cw3 n PRO 13 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2cw3 s TYR 14 N -2.00 0.11 0.96 6.00 -0.85 -1.26 -5.05 117.35 115.26 2cw3 s TYR 14 Ca 0.20 -0.52 -0.12 0.00 -0.52 0.00 0.00 57.07 56.11 2cw3 s TYR 14 Cb 0.09 0.43 0.17 0.00 0.38 0.00 0.00 41.96 43.02 2cw3 s TYR 14 CO 0.15 -1.11 1.09 0.20 -1.52 0.00 0.00 175.55 174.36 2cw3 s GLY 15 N -2.97 1.61 0.48 5.49 0.00 -1.26 -4.94 107.32 105.73 2cw3 s GLY 15 Ca 0.17 0.00 0.27 0.00 0.00 0.00 0.00 44.72 45.16 2cw3 s GLY 15 CO 0.08 0.53 1.91 1.41 0.00 0.00 0.00 173.10 177.04 2cw3 h LEU 16 N -1.83 0.00 -1.83 0.66 3.38 -1.97 -2.95 115.31 110.76 2cw3 h LEU 16 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 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 0.52 0.16 -0.00 -1.84 0.09 0.00 0.00 178.44 177.37 2cw3 n GLU 17 N -3.39 1.97 0.00 1.13 0.28 -1.26 -3.89 120.64 115.49 2cw3 n GLU 17 Ca -0.00 -1.78 0.03 0.00 -0.16 0.00 0.00 57.16 55.25 2cw3 n GLU 17 Cb 0.36 -1.41 0.16 0.00 1.43 0.00 0.00 31.44 31.99 2cw3 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cw3 n ALA 18 N 1.20 1.42 0.24 -1.84 0.00 -1.12 -0.82 120.51 119.60 2cw3 n ALA 18 Ca 0.12 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2cw3 n ALA 18 Cb 0.54 -1.11 0.20 0.00 0.00 0.00 0.00 19.45 19.07 2cw3 n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cw3 n LEU 19 N -1.38 3.29 -4.77 0.00 4.77 -1.26 -0.37 117.00 117.28 2cw3 n LEU 19 Ca 0.03 -1.52 -0.36 0.00 -0.03 0.00 0.00 56.01 54.13 2cw3 n LEU 19 Cb 0.07 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2cw3 n LEU 19 CO 0.06 0.72 0.81 -1.61 -1.33 0.00 0.00 177.39 176.04 2cw3 s GLU 20 N -1.37 3.31 -0.29 3.23 2.02 -0.00 -1.43 118.70 124.17 2cw3 s GLU 20 Ca 0.35 1.71 0.06 0.00 0.02 0.00 0.00 54.97 57.10 2cw3 s GLU 20 Cb 0.20 -2.04 0.57 0.00 0.10 0.00 0.00 34.13 32.96 2cw3 s GLU 20 CO 0.28 -0.91 1.63 -0.35 0.02 0.00 0.00 175.26 175.94 2cw3 n PRO 21 N -1.26 2.72 -0.04 0.39 -0.04 -1.26 -4.89 135.00 130.62 2cw3 n PRO 21 Ca 0.12 -2.39 -0.19 0.00 -0.04 0.00 0.00 63.50 61.00 2cw3 n PRO 21 Cb 0.50 -1.98 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.62 1.29 -3.35 0.52 2.07 -1.63 -3.44 116.25 113.33 2cw3 h VAL 22 Ca 0.32 -2.34 -0.57 0.00 0.82 0.00 0.00 66.70 64.93 2cw3 h VAL 22 Cb 2.18 2.85 -0.38 0.00 -1.52 0.00 0.00 31.29 34.43 2cw3 h VAL 22 CO 0.69 0.57 -0.80 -0.63 0.02 0.00 0.00 177.57 177.43 2cw3 s ILE 23 N -2.36 1.21 0.89 4.57 1.01 -1.00 -4.97 121.20 120.55 2cw3 s ILE 23 Ca -0.21 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2cw3 s ILE 23 Cb 0.02 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.17 2cw3 s ILE 23 CO 0.70 0.13 0.68 -1.54 0.00 0.00 0.00 174.94 174.91 2cw3 n SER 24 N 4.84 -1.05 -0.35 3.58 3.41 -1.26 -3.46 113.62 119.33 2cw3 n SER 24 Ca -0.12 0.42 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 2cw3 n SER 24 Cb 0.47 -1.30 0.24 0.00 -0.26 0.00 0.00 64.21 63.36 2cw3 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cw3 h ALA 25 N -1.36 1.53 -0.56 7.33 0.00 -1.88 -2.11 119.26 122.22 2cw3 h ALA 25 Ca -0.44 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2cw3 h ALA 25 Cb 1.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2cw3 h ALA 25 CO 0.38 0.25 0.28 0.00 0.00 0.00 0.00 179.25 180.16 2cw3 h ALA 26 N 1.53 0.72 -0.05 0.00 0.00 -1.90 -1.11 119.26 118.44 2cw3 h ALA 26 Ca 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2cw3 h ALA 26 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2cw3 h ALA 26 CO -0.23 0.27 0.01 1.15 0.00 0.00 0.00 179.25 180.46 2cw3 h THR 27 N 0.76 1.20 -0.93 0.00 2.02 -1.84 -2.15 112.91 111.97 2cw3 h THR 27 Ca 0.19 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.83 2cw3 h THR 27 Cb 0.10 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2cw3 h THR 27 CO -0.03 0.17 0.60 0.58 0.37 0.00 0.00 175.52 177.21 2cw3 h VAL 28 N -0.15 1.05 0.25 3.16 2.07 -1.21 0.17 116.25 121.60 2cw3 h VAL 28 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2cw3 h VAL 28 Cb 0.26 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2cw3 h VAL 28 CO 0.00 0.19 -0.12 -0.78 0.02 0.00 0.00 177.57 176.88 2cw3 h ASP 29 N 1.04 -0.28 -0.18 0.57 -0.00 -1.04 0.16 116.42 116.69 2cw3 h ASP 29 Ca 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.03 57.37 2cw3 h ASP 29 Cb 0.23 0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 2cw3 h ASP 29 CO -0.16 -0.16 -0.06 -0.26 -0.00 0.00 0.00 179.24 178.60 2cw3 h PHE 30 N -0.38 0.41 -0.19 0.28 -1.00 -1.02 0.17 116.94 115.19 2cw3 h PHE 30 Ca -0.03 -0.09 0.02 0.00 2.81 0.00 0.00 57.97 60.67 2cw3 h PHE 30 Cb 0.29 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 2cw3 h PHE 30 CO -0.05 0.63 0.08 1.25 -1.61 0.00 0.00 178.31 178.62 2cw3 h HIS 31 N 0.07 0.14 0.00 -0.55 2.76 -0.58 -0.44 115.15 116.56 2cw3 h HIS 31 Ca 0.04 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2cw3 h HIS 31 Cb 0.51 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2cw3 h HIS 31 CO 0.06 0.08 -0.13 -0.92 -1.30 0.00 0.00 177.93 175.71 2cw3 h TYR 32 N 0.18 0.00 0.00 5.26 3.20 -0.71 0.16 116.97 125.06 2cw3 h TYR 32 Ca 0.08 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2cw3 h TYR 32 Cb 0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2cw3 h TYR 32 CO -0.11 0.54 -0.18 -0.91 -1.64 0.00 0.00 178.16 175.86 2cw3 h ASN 33 N -1.00 0.00 0.00 -2.11 2.35 -1.05 -2.55 115.58 111.22 2cw3 h ASN 33 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2cw3 h ASN 33 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2cw3 h ASN 33 CO -0.02 0.18 0.00 0.29 -1.65 0.00 0.00 177.43 176.24 2cw3 n LYS 34 N -3.20 0.00 0.18 0.81 4.01 -0.30 -4.50 118.16 115.16 2cw3 n LYS 34 Ca 0.02 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.69 2cw3 n LYS 34 Cb 0.52 -0.24 -0.07 0.00 -0.51 0.00 0.00 35.03 34.73 2cw3 n LYS 34 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2cw3 h HIS 35 N 0.00 -1.05 -0.60 2.13 3.86 -1.14 0.20 115.15 118.55 2cw3 h HIS 35 Ca 0.00 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 2cw3 h HIS 35 Cb 0.00 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 2cw3 h HIS 35 CO 0.00 -0.48 0.40 1.25 0.86 0.00 0.00 177.93 179.96 2cw3 h HIS 36 N -0.70 0.55 0.18 2.45 -0.00 -0.66 -1.55 115.15 115.43 2cw3 h HIS 36 Ca -0.04 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.09 2cw3 h HIS 36 Cb 0.62 -0.18 0.03 0.00 -0.00 0.00 0.00 27.41 27.88 2cw3 h HIS 36 CO -0.25 0.29 -1.10 0.37 -0.00 0.00 0.00 177.93 177.23 2cw3 h GLN 37 N 0.54 0.43 -0.54 5.26 5.75 -1.32 -3.25 115.11 121.98 2cw3 h GLN 37 Ca 0.26 -0.70 0.11 0.00 -0.15 0.00 0.00 58.65 58.17 2cw3 h GLN 37 Cb 0.33 0.26 -0.10 0.00 1.07 0.00 0.00 27.48 29.04 2cw3 h GLN 37 CO -0.08 1.33 -0.11 0.78 -2.65 0.00 0.00 178.83 178.10 2cw3 h GLY 38 N -0.11 0.41 0.74 2.39 0.00 0.08 0.22 103.07 106.80 2cw3 h GLY 38 Ca -0.19 0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.44 2cw3 h GLY 38 CO 0.21 -0.20 0.50 -0.97 0.00 0.00 0.00 176.54 176.08 2cw3 h TYR 39 N 0.01 0.56 0.36 5.60 0.05 -1.41 -0.00 116.97 122.13 2cw3 h TYR 39 Ca 0.26 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.04 2cw3 h TYR 39 Cb 0.40 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2cw3 h TYR 39 CO -0.43 0.23 -0.17 0.82 -1.05 0.00 0.00 178.16 177.55 2cw3 h ILE 40 N 0.49 0.60 -0.83 -2.88 2.04 -0.61 -0.38 117.51 115.94 2cw3 h ILE 40 Ca 0.37 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.79 2cw3 h ILE 40 Cb 0.73 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 2cw3 h ILE 40 CO -0.13 0.10 0.45 -0.61 0.00 0.00 0.00 178.15 177.96 2cw3 h GLN 41 N -0.81 0.70 -0.65 2.37 5.75 -1.25 -1.21 115.11 120.01 2cw3 h GLN 41 Ca -0.05 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2cw3 h GLN 41 Cb 0.53 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 2cw3 h GLN 41 CO 0.08 0.46 0.37 -0.22 -2.65 0.00 0.00 178.83 176.87 2cw3 h LYS 42 N 0.72 0.68 -0.26 1.69 1.63 -0.79 0.38 116.57 120.62 2cw3 h LYS 42 Ca 0.42 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 60.03 2cw3 h LYS 42 Cb 0.47 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2cw3 h LYS 42 CO -0.29 0.45 -0.45 1.25 -3.45 0.00 0.00 179.45 176.96 2cw3 h LEU 43 N 0.70 0.72 -0.04 5.20 5.85 -0.37 -1.15 115.31 126.22 2cw3 h LEU 43 Ca 0.28 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2cw3 h LEU 43 Cb 0.13 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2cw3 h LEU 43 CO -0.16 1.07 0.02 -0.07 -0.34 0.00 0.00 178.44 178.96 2cw3 h LEU 44 N 0.54 0.04 -1.22 2.25 3.38 -0.32 -1.66 115.31 118.33 2cw3 h LEU 44 Ca 0.03 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2cw3 h LEU 44 Cb 0.99 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2cw3 h LEU 44 CO 0.09 0.06 0.54 0.44 0.09 0.00 0.00 178.44 179.66 2cw3 h ASP 45 N 0.03 0.89 0.79 -0.43 3.32 -0.18 0.38 116.42 121.22 2cw3 h ASP 45 Ca 0.01 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2cw3 h ASP 45 Cb 0.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2cw3 h ASP 45 CO -0.00 0.63 -1.24 0.00 -1.72 0.00 0.00 179.24 176.90 2cw3 h ALA 46 N 1.51 0.42 0.21 3.45 0.00 -1.00 -3.32 119.26 120.53 2cw3 h ALA 46 Ca 0.32 -1.06 -0.35 0.00 0.00 0.00 0.00 54.91 53.82 2cw3 h ALA 46 Cb -0.02 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cw3 h ALA 46 CO -0.08 1.29 -1.66 1.79 0.00 0.00 0.00 179.25 180.59 2cw3 h THR 47 N 0.01 1.06 0.00 0.00 1.35 -1.32 -3.47 112.91 110.55 2cw3 h THR 47 Ca -0.11 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 2cw3 h THR 47 Cb 1.87 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 71.14 2cw3 h THR 47 CO 0.13 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 2cw3 n GLY 48 N 1.81 0.73 3.86 5.82 0.00 0.12 -5.03 105.19 112.49 2cw3 n GLY 48 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 3.90 0.54 0.99 1.43 -1.25 -5.04 118.68 119.25 2cw3 s LEU 49 Ca 0.00 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 2cw3 s LEU 49 Cb 0.00 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 2cw3 s LEU 49 CO 0.00 -0.35 1.06 -2.84 0.23 0.00 0.00 176.35 174.45 2cw3 s PRO 50 N -3.53 3.51 0.24 1.29 0.02 -1.26 -4.84 135.00 130.44 2cw3 s PRO 50 Ca 0.53 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.73 2cw3 s PRO 50 Cb -0.10 -2.05 0.29 0.00 0.02 0.00 0.00 34.50 32.66 2cw3 s PRO 50 CO 0.25 -0.67 1.55 0.93 -0.33 0.00 0.00 177.00 178.74 2cw3 h GLU 51 N 1.00 -0.00 0.00 5.54 5.08 -1.98 0.93 114.58 125.15 2cw3 h GLU 51 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2cw3 h GLU 51 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2cw3 h GLU 51 CO 0.58 -0.00 0.14 -1.13 -1.00 0.00 0.00 179.01 177.60 2cw3 n SER 52 N -5.51 0.10 -0.11 1.42 3.41 -1.26 -1.18 113.62 110.49 2cw3 n SER 52 Ca 0.12 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 2cw3 n SER 52 Cb 0.42 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2cw3 n SER 52 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cw3 n ARG 53 N -1.55 2.08 -3.22 4.33 5.12 0.32 -4.96 116.66 118.78 2cw3 n ARG 53 Ca -0.00 -0.24 -0.40 0.00 -1.93 0.00 0.00 57.85 55.28 2cw3 n ARG 53 Cb 0.15 -1.20 -0.07 0.00 -1.16 0.00 0.00 32.46 30.18 2cw3 n ARG 53 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2cw3 s ILE 54 N -2.20 5.07 -0.50 0.55 1.01 -0.33 -5.02 121.20 119.79 2cw3 s ILE 54 Ca 0.08 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.58 2cw3 s ILE 54 Cb 0.11 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.86 2cw3 s ILE 54 CO 0.53 0.12 0.40 0.21 0.00 0.00 0.00 174.94 176.20 2cw3 s ASN 55 N 1.34 5.85 0.13 3.58 3.04 -1.26 -4.84 114.94 122.77 2cw3 s ASN 55 Ca 0.23 -1.92 -0.31 0.00 0.04 0.00 0.00 52.86 50.90 2cw3 s ASN 55 Cb -0.16 -2.06 -0.09 0.00 -1.54 0.00 0.00 41.25 37.41 2cw3 s ASN 55 CO 0.09 -0.73 1.57 0.25 -3.04 0.00 0.00 177.10 175.24 2cw3 h LEU 56 N 8.52 -1.49 -1.22 3.21 5.85 -1.95 -2.34 115.31 125.89 2cw3 h LEU 56 Ca -0.22 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2cw3 h LEU 56 Cb 1.08 0.60 -0.05 0.00 0.37 0.00 0.00 40.66 42.65 2cw3 h LEU 56 CO 0.90 -0.46 0.55 0.11 -0.34 0.00 0.00 178.44 179.21 2cw3 h LYS 57 N -0.54 0.93 -0.91 1.25 1.57 -1.95 -2.40 116.57 114.52 2cw3 h LYS 57 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cw3 h LYS 57 Cb 0.66 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2cw3 h LYS 57 CO -0.41 0.62 0.55 1.03 -0.57 0.00 0.00 179.45 180.66 2cw3 h SER 58 N 0.96 1.09 -0.45 0.86 0.87 -1.87 -0.42 113.55 114.59 2cw3 h SER 58 Ca 0.36 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2cw3 h SER 58 Cb 0.19 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2cw3 h SER 58 CO -0.13 0.83 0.17 -0.07 -0.53 0.00 0.00 176.83 177.11 2cw3 h LEU 59 N 1.25 0.63 -0.70 2.23 4.07 -1.11 -0.96 115.31 120.72 2cw3 h LEU 59 Ca 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2cw3 h LEU 59 Cb -0.06 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.48 2cw3 h LEU 59 CO -0.06 0.63 0.45 0.58 -1.08 0.00 0.00 178.44 178.96 2cw3 h VAL 60 N 0.59 1.19 -0.09 1.22 2.07 -0.97 -2.77 116.25 117.49 2cw3 h VAL 60 Ca 0.15 -0.38 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 2cw3 h VAL 60 Cb 0.21 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2cw3 h VAL 60 CO -0.01 0.19 -0.71 0.71 0.02 0.00 0.00 177.57 177.77 2cw3 h THR 61 N 0.96 1.37 -0.64 2.57 1.35 -1.07 -3.19 112.91 114.25 2cw3 h THR 61 Ca 0.26 -2.10 0.13 0.00 -0.55 0.00 0.00 66.41 64.15 2cw3 h THR 61 Cb -0.07 2.07 -0.10 0.00 -1.73 0.00 0.00 68.15 68.32 2cw3 h THR 61 CO -0.05 0.63 0.10 0.25 -0.25 0.00 0.00 175.52 176.20 2cw3 h LEU 62 N 0.30 -0.08 0.00 3.87 5.85 -0.90 -3.47 115.31 120.87 2cw3 h LEU 62 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2cw3 h LEU 62 Cb 1.28 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2cw3 h LEU 62 CO 0.12 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.79 2cw3 n GLY 63 N -1.34 1.67 0.20 3.75 0.00 -1.08 -4.37 105.19 104.02 2cw3 n GLY 63 Ca 0.10 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.00 0.15 1.61 0.13 -1.88 -0.48 132.00 131.52 2cw3 h PRO 64 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2cw3 h PRO 64 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2cw3 h PRO 64 CO 0.00 0.33 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.59 2cw3 h ASP 65 N 0.00 -0.16 -0.15 1.44 3.45 -1.88 0.44 116.42 119.55 2cw3 h ASP 65 Ca -0.00 -0.38 -0.11 0.00 0.43 0.00 0.00 57.03 56.96 2cw3 h ASP 65 Cb 0.77 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.57 2cw3 h ASP 65 CO 0.04 0.40 -0.28 0.03 -1.57 0.00 0.00 179.24 177.86 2cw3 h ARG 66 N -0.85 0.63 0.00 3.56 3.08 -1.76 -3.29 114.38 115.76 2cw3 h ARG 66 Ca -0.02 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.59 2cw3 h ARG 66 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2cw3 h ARG 66 CO 0.03 0.85 -1.32 0.00 -1.07 0.00 0.00 179.97 178.46 2cw3 h ALA 67 N 1.14 0.66 0.00 0.04 0.00 -1.19 -3.49 119.26 116.42 2cw3 h ALA 67 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2cw3 h ALA 67 Cb 0.77 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2cw3 h ALA 67 CO 0.06 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2cw3 n GLY 68 N 1.38 1.80 0.39 0.00 0.00 0.07 -4.54 105.19 104.30 2cw3 n GLY 68 Ca -0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.03 0.00 1.61 4.81 -1.68 0.70 114.58 119.98 2cw3 h GLU 69 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 2cw3 h GLU 69 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2cw3 h GLU 69 CO 0.00 -0.02 -0.70 -0.91 -0.73 0.00 0.00 179.01 176.65 2cw3 h ASN 70 N -0.03 0.00 -0.27 1.04 -0.26 -1.90 0.13 115.58 114.29 2cw3 h ASN 70 Ca 0.30 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.00 2cw3 h ASN 70 Cb 0.57 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 2cw3 h ASN 70 CO -0.93 0.70 0.01 0.58 -1.06 0.00 0.00 177.43 176.72 2cw3 h VAL 71 N 0.00 1.25 -0.37 2.81 2.07 -1.54 -2.97 116.25 117.50 2cw3 h VAL 71 Ca -0.01 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 2cw3 h VAL 71 Cb 1.31 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2cw3 h VAL 71 CO 0.09 0.29 -0.03 0.15 0.02 0.00 0.00 177.57 178.09 2cw3 h PHE 72 N 0.26 0.74 -0.45 1.57 3.57 -0.66 -0.12 116.94 121.85 2cw3 h PHE 72 Ca 0.08 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2cw3 h PHE 72 Cb 0.41 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2cw3 h PHE 72 CO 0.03 0.78 0.23 -0.91 -2.23 0.00 0.00 178.31 176.21 2cw3 h ASN 73 N 0.48 0.55 0.17 0.41 2.35 -1.06 0.12 115.58 118.59 2cw3 h ASN 73 Ca 0.10 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2cw3 h ASN 73 Cb 0.50 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2cw3 h ASN 73 CO 0.02 0.46 -0.08 0.00 -1.65 0.00 0.00 177.43 176.18 2cw3 h ALA 74 N 1.63 -0.23 0.09 -0.83 0.00 -1.34 -2.43 119.26 116.16 2cw3 h ALA 74 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2cw3 h ALA 74 Cb 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2cw3 h ALA 74 CO -0.02 -0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.65 2cw3 h ALA 75 N -0.64 -0.53 -0.74 0.00 0.00 -0.95 -1.40 119.26 115.00 2cw3 h ALA 75 Ca -0.02 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2cw3 h ALA 75 Cb 0.43 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 2cw3 h ALA 75 CO 0.04 -0.86 0.06 0.78 0.00 0.00 0.00 179.25 179.27 2cw3 h GLY 76 N -0.52 0.89 1.72 0.00 0.00 -0.90 0.67 103.07 104.92 2cw3 h GLY 76 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2cw3 h GLY 76 CO -0.21 -0.26 -0.06 1.46 0.00 0.00 0.00 176.54 177.47 2cw3 h GLN 77 N 0.15 0.35 0.02 4.80 1.08 -0.86 -0.65 115.11 120.00 2cw3 h GLN 77 Ca 0.41 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2cw3 h GLN 77 Cb 0.72 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2cw3 h GLN 77 CO -0.61 0.44 -0.01 0.82 -0.95 0.00 0.00 178.83 178.52 2cw3 h ILE 78 N 0.34 1.34 0.03 2.54 2.04 0.11 -0.67 117.51 123.24 2cw3 h ILE 78 Ca 0.07 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.86 2cw3 h ILE 78 Cb 0.33 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 2cw3 h ILE 78 CO 0.01 0.28 -0.30 0.22 0.00 0.00 0.00 178.15 178.37 2cw3 h TYR 79 N -0.50 -0.83 -0.51 1.37 3.20 -1.00 0.42 116.97 119.12 2cw3 h TYR 79 Ca -0.00 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.00 2cw3 h TYR 79 Cb 0.48 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 39.02 2cw3 h TYR 79 CO 0.09 -0.40 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.20 2cw3 h ASN 80 N -0.47 -0.42 0.36 -2.11 4.21 -1.13 -1.26 115.58 114.75 2cw3 h ASN 80 Ca 0.05 0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.62 2cw3 h ASN 80 Cb 0.54 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 2cw3 h ASN 80 CO -0.24 -0.15 -0.39 0.45 -1.29 0.00 0.00 177.43 175.81 2cw3 h HIS 81 N 0.02 0.06 0.38 1.19 3.86 -0.84 -1.32 115.15 118.50 2cw3 h HIS 81 Ca 0.25 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2cw3 h HIS 81 Cb 0.38 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2cw3 h HIS 81 CO -0.41 0.44 -0.26 -0.91 0.86 0.00 0.00 177.93 177.65 2cw3 h ASN 82 N 0.04 -0.66 -0.82 2.45 -0.26 0.07 -2.50 115.58 113.90 2cw3 h ASN 82 Ca 0.00 0.04 0.09 0.00 -0.56 0.00 0.00 56.30 55.87 2cw3 h ASN 82 Cb 0.71 0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 38.12 2cw3 h ASN 82 CO 0.05 -0.40 0.53 0.24 -1.06 0.00 0.00 177.43 176.79 2cw3 h MET 83 N -0.63 0.78 -0.15 0.81 2.86 -0.86 -2.87 114.93 114.88 2cw3 h MET 83 Ca -0.04 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2cw3 h MET 83 Cb 0.53 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2cw3 h MET 83 CO 0.02 0.52 -0.01 -0.92 1.06 0.00 0.00 176.91 177.58 2cw3 h TYR 84 N 0.80 0.29 -0.33 -0.22 3.20 -1.01 -1.41 116.97 118.30 2cw3 h TYR 84 Ca 0.37 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 2cw3 h TYR 84 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2cw3 h TYR 84 CO -0.00 0.51 -0.16 -1.49 -1.64 0.00 0.00 178.16 175.38 2cw3 h TRP 85 N -0.01 0.64 0.00 -3.82 4.06 -1.38 -1.76 115.95 113.68 2cw3 h TRP 85 Ca 0.04 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2cw3 h TRP 85 Cb 0.40 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2cw3 h TRP 85 CO 0.04 0.71 0.00 -0.07 -3.56 0.00 0.00 178.44 175.56 2cw3 h LEU 86 N 0.53 0.00 -0.24 -4.49 4.07 -1.42 -3.08 115.31 110.67 2cw3 h LEU 86 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2cw3 h LEU 86 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2cw3 h LEU 86 CO 0.04 0.00 -0.18 -1.20 -1.08 0.00 0.00 178.44 176.02 2cw3 n SER 87 N -2.79 0.56 -4.40 -0.43 7.64 -0.54 -4.77 113.62 108.89 2cw3 n SER 87 Ca 0.01 -0.52 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 2cw3 n SER 87 Cb 0.30 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.58 2.13 -0.18 1.43 -1.94 -1.17 0.06 119.30 117.05 2cw3 s MET 88 Ca 0.25 -0.92 -0.16 0.00 -1.71 0.00 0.00 55.69 53.14 2cw3 s MET 88 Cb 0.19 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 2cw3 s MET 88 CO 0.51 0.56 0.40 0.14 -0.01 0.00 0.00 175.02 176.63 2cw3 s VAL 89 N -0.77 5.21 1.19 -6.03 -7.23 0.08 -4.74 120.40 108.12 2cw3 s VAL 89 Ca 0.12 0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 60.82 2cw3 s VAL 89 Cb -0.10 -3.73 0.30 0.00 0.56 0.00 0.00 36.38 33.40 2cw3 s VAL 89 CO 0.02 0.28 0.96 -0.81 -0.31 0.00 0.00 175.10 175.23 2cw3 n PRO 90 N 4.25 -3.42 -2.09 4.82 -0.04 -1.26 -4.89 135.00 132.36 2cw3 n PRO 90 Ca -0.08 -1.54 -0.42 0.00 -0.04 0.00 0.00 63.50 61.41 2cw3 n PRO 90 Cb 0.51 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2cw3 n PRO 90 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2cw3 s THR 91 N -2.62 3.22 -0.00 0.52 2.01 0.50 -3.07 115.64 116.20 2cw3 s THR 91 Ca 0.65 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2cw3 s THR 91 Cb -0.08 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2cw3 s THR 91 CO 0.51 0.03 0.00 -1.20 -0.69 0.00 0.00 174.62 173.27 2cw3 n SER 92 N 4.62 -3.04 -2.00 3.53 7.64 -1.26 -5.03 113.62 118.08 2cw3 n SER 92 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2cw3 n SER 92 Cb 0.42 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2cw3 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cw3 n GLY 93 N -2.95 -0.10 3.13 0.23 0.00 -1.18 -5.13 105.19 99.20 2cw3 n GLY 93 Ca -0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 2cw3 n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cw3 s SER 94 N -1.00 0.37 0.00 1.61 1.04 -1.26 -4.93 113.70 109.53 2cw3 s SER 94 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2cw3 s SER 94 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2cw3 s SER 94 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2cw3 n GLY 95 N -0.00 1.03 0.18 7.32 0.00 -1.26 -4.89 105.19 107.56 2cw3 n GLY 95 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2cw3 n GLY 95 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cw3 h ARG 96 N 0.00 0.00 -6.73 1.61 3.08 -1.92 0.49 114.38 110.91 2cw3 h ARG 96 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2cw3 h ARG 96 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2cw3 h ARG 96 CO 0.00 0.38 0.30 -1.58 -1.07 0.00 0.00 179.97 178.00 2cw3 s HIS 97 N -3.45 3.87 -0.39 3.04 2.46 -1.26 -4.71 115.29 114.84 2cw3 s HIS 97 Ca 0.01 1.79 -0.25 0.00 0.47 0.00 0.00 55.06 57.08 2cw3 s HIS 97 Cb 0.10 -2.90 0.02 0.00 -0.13 0.00 0.00 32.58 29.67 2cw3 s HIS 97 CO 0.69 0.39 0.89 0.08 -2.47 0.00 0.00 174.74 174.33 2cw3 s VAL 98 N -1.32 4.59 0.36 0.89 1.01 -1.26 -4.25 120.40 120.42 2cw3 s VAL 98 Ca 0.43 0.99 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 2cw3 s VAL 98 Cb -0.23 -4.34 -0.12 0.00 0.00 0.00 0.00 36.38 31.70 2cw3 s VAL 98 CO 0.28 -0.60 1.21 -2.65 0.00 0.00 0.00 175.10 173.34 2cw3 n PRO 99 N 6.81 1.88 -0.35 2.72 -0.02 -1.26 -4.64 135.00 140.13 2cw3 n PRO 99 Ca 0.06 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 2cw3 n PRO 99 Cb 0.48 -2.23 0.33 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.25 0.72 0.39 0.52 0.11 -1.98 0.29 132.00 134.30 2cw3 h PRO 100 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cw3 h PRO 100 Cb 1.30 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2cw3 h PRO 100 CO 0.61 0.47 -0.41 -0.09 -0.21 0.00 0.00 178.00 178.37 2cw3 h ARG 101 N 0.74 -0.80 -0.62 1.05 2.43 -2.00 0.30 114.38 115.48 2cw3 h ARG 101 Ca 0.58 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.78 2cw3 h ARG 101 Cb 0.93 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2cw3 h ARG 101 CO -0.38 -0.53 0.30 1.25 -1.51 0.00 0.00 179.97 179.10 2cw3 h LEU 102 N -0.83 0.81 -0.57 3.80 5.85 -1.79 -2.89 115.31 119.70 2cw3 h LEU 102 Ca -0.03 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2cw3 h LEU 102 Cb 0.74 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2cw3 h LEU 102 CO -0.08 0.72 0.28 0.25 -0.34 0.00 0.00 178.44 179.27 2cw3 h LEU 103 N 0.85 0.38 -0.94 2.25 5.85 -0.50 0.22 115.31 123.43 2cw3 h LEU 103 Ca 0.21 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2cw3 h LEU 103 Cb 0.12 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2cw3 h LEU 103 CO -0.03 0.25 0.62 0.11 -0.34 0.00 0.00 178.44 179.05 2cw3 h LYS 104 N 0.53 1.24 -0.57 1.25 1.57 -0.27 -1.57 116.57 118.74 2cw3 h LYS 104 Ca 0.26 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2cw3 h LYS 104 Cb 0.20 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2cw3 h LYS 104 CO -0.20 0.83 0.02 -0.07 -0.57 0.00 0.00 179.45 179.46 2cw3 h LEU 105 N 1.28 0.94 -0.61 2.94 3.38 -0.98 -0.99 115.31 121.27 2cw3 h LEU 105 Ca 0.34 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2cw3 h LEU 105 Cb -0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 2cw3 h LEU 105 CO -0.07 0.99 -0.54 0.16 0.09 0.00 0.00 178.44 179.07 2cw3 h ILE 106 N 0.90 1.34 -0.55 1.22 -0.00 -0.52 -2.43 117.51 117.47 2cw3 h ILE 106 Ca 0.17 -1.80 -0.11 0.00 -0.00 0.00 0.00 64.86 63.11 2cw3 h ILE 106 Cb 0.50 1.81 -0.02 0.00 -0.00 0.00 0.00 36.82 39.11 2cw3 h ILE 106 CO 0.02 0.55 -0.09 0.03 -0.00 0.00 0.00 178.15 178.66 2cw3 h ARG 107 N 0.33 1.04 -0.60 0.16 3.08 -1.06 -0.42 114.38 116.91 2cw3 h ARG 107 Ca 0.01 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.69 2cw3 h ARG 107 Cb 1.05 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 2cw3 h ARG 107 CO 0.09 1.07 0.40 0.00 -1.07 0.00 0.00 179.97 180.46 2cw3 h ALA 108 N 0.96 1.59 0.00 0.04 0.00 -0.98 0.10 119.26 120.97 2cw3 h ALA 108 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2cw3 h ALA 108 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2cw3 h ALA 108 CO 0.05 0.38 -0.36 -0.09 0.00 0.00 0.00 179.25 179.22 2cw3 h ARG 109 N 0.80 0.00 -0.00 0.00 9.65 -1.06 -3.41 114.38 120.35 2cw3 h ARG 109 Ca 0.22 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 2cw3 h ARG 109 Cb -0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 2cw3 h ARG 109 CO -0.05 0.95 -0.11 0.91 2.80 0.00 0.00 179.97 184.47 2cw3 n TRP 110 N -4.57 0.00 0.00 2.20 7.02 -0.20 -5.04 117.44 116.86 2cw3 n TRP 110 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2cw3 n TRP 110 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 2cw3 n TRP 110 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2cw3 n GLY 111 N 0.72 2.27 3.44 6.99 0.00 0.36 -4.66 105.19 114.30 2cw3 n GLY 111 Ca 0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2cw3 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cw3 s ASN 112 N 0.00 -0.00 0.56 1.61 2.20 -1.26 -4.41 114.94 113.63 2cw3 s ASN 112 Ca 0.00 -1.04 0.24 0.00 -0.94 0.00 0.00 52.86 51.12 2cw3 s ASN 112 Cb 0.00 0.50 1.56 0.00 -2.00 0.00 0.00 41.25 41.31 2cw3 s ASN 112 CO 0.00 -1.01 2.17 -0.37 -2.94 0.00 0.00 177.10 174.95 2cw3 h VAL 113 N 2.41 0.70 -0.34 3.54 -1.51 -1.91 -2.31 116.25 116.83 2cw3 h VAL 113 Ca -0.30 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 2cw3 h VAL 113 Cb 1.25 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2cw3 h VAL 113 CO 0.43 0.00 -0.05 0.44 -1.23 0.00 0.00 177.57 177.16 2cw3 h ASP 114 N 0.00 0.63 -0.57 4.19 3.32 -1.96 -0.61 116.42 121.41 2cw3 h ASP 114 Ca 0.04 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 2cw3 h ASP 114 Cb 0.17 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2cw3 h ASP 114 CO -0.00 0.82 0.22 -0.33 -1.72 0.00 0.00 179.24 178.23 2cw3 h GLU 115 N 0.42 0.90 0.31 3.56 4.39 -1.70 -2.52 114.58 119.94 2cw3 h GLU 115 Ca 0.09 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2cw3 h GLU 115 Cb 0.53 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2cw3 h GLU 115 CO 0.03 0.76 -0.15 1.98 -1.16 0.00 0.00 179.01 180.46 2cw3 h MET 116 N 0.88 -0.41 -0.79 2.33 4.05 -1.08 -2.35 114.93 117.56 2cw3 h MET 116 Ca 0.20 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.84 2cw3 h MET 116 Cb 0.21 0.09 -0.13 0.00 -0.80 0.00 0.00 31.60 30.97 2cw3 h MET 116 CO -0.01 -0.16 0.09 -0.22 0.23 0.00 0.00 176.91 176.84 2cw3 h LYS 117 N -0.59 0.15 -0.46 0.39 3.64 -1.02 -1.52 116.57 117.15 2cw3 h LYS 117 Ca -0.04 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2cw3 h LYS 117 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2cw3 h LYS 117 CO 0.07 0.10 0.04 1.49 -2.27 0.00 0.00 179.45 178.88 2cw3 h GLU 118 N 0.15 0.72 -0.20 1.90 4.81 -1.04 0.74 114.58 121.66 2cw3 h GLU 118 Ca 0.46 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 2cw3 h GLU 118 Cb 0.84 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2cw3 h GLU 118 CO -0.65 0.71 -0.49 -0.91 -0.73 0.00 0.00 179.01 176.94 2cw3 h ASN 119 N 0.69 0.60 -0.70 1.04 -0.26 -0.85 -2.32 115.58 113.77 2cw3 h ASN 119 Ca 0.14 -0.30 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 2cw3 h ASN 119 Cb 0.36 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 2cw3 h ASN 119 CO 0.01 0.99 0.20 0.15 -1.06 0.00 0.00 177.43 177.72 2cw3 h PHE 120 N 0.43 1.16 -0.16 1.19 3.57 -0.49 -0.68 116.94 121.96 2cw3 h PHE 120 Ca 0.02 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 2cw3 h PHE 120 Cb 1.02 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2cw3 h PHE 120 CO 0.04 0.93 -0.13 0.52 -2.23 0.00 0.00 178.31 177.44 2cw3 h MET 121 N 1.05 0.37 0.19 1.11 2.86 -0.84 0.18 114.93 119.84 2cw3 h MET 121 Ca 0.22 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2cw3 h MET 121 Cb 0.34 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2cw3 h MET 121 CO -0.00 0.73 -0.51 -0.09 1.06 0.00 0.00 176.91 178.10 2cw3 h ARG 122 N 0.01 -0.75 -0.02 1.72 2.43 -1.37 -1.51 114.38 114.89 2cw3 h ARG 122 Ca 0.03 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2cw3 h ARG 122 Cb 0.65 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2cw3 h ARG 122 CO 0.03 -0.50 -0.15 -0.22 -1.51 0.00 0.00 179.97 177.62 2cw3 h LYS 123 N -0.78 0.03 0.00 0.20 3.64 -1.13 -2.89 116.57 115.65 2cw3 h LYS 123 Ca -0.02 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2cw3 h LYS 123 Cb 0.76 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2cw3 h LYS 123 CO -0.24 0.19 -0.90 0.00 -2.27 0.00 0.00 179.45 176.23 2cw3 h ALA 124 N 1.82 0.66 0.07 5.00 0.00 -0.36 -2.96 119.26 123.47 2cw3 h ALA 124 Ca 0.01 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.26 2cw3 h ALA 124 Cb 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2cw3 h ALA 124 CO 0.02 0.44 -1.41 1.79 0.00 0.00 0.00 179.25 180.09 2cw3 h THR 125 N 0.00 1.26 0.00 0.00 1.35 -1.28 -3.34 112.91 110.90 2cw3 h THR 125 Ca -0.06 -2.95 -0.03 0.00 -0.55 0.00 0.00 66.41 62.82 2cw3 h THR 125 Cb 1.28 2.73 -0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2cw3 h THR 125 CO 0.03 0.80 -0.17 0.00 -0.25 0.00 0.00 175.52 175.94 2cw3 h ALA 126 N 0.72 0.93 -1.84 6.62 0.00 -1.56 -3.45 119.26 120.68 2cw3 h ALA 126 Ca -0.19 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 53.94 2cw3 h ALA 126 Cb 1.95 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2cw3 h ALA 126 CO 0.14 0.21 1.19 -0.11 0.00 0.00 0.00 179.25 180.67 2cw3 n LEU 127 N -3.19 3.15 -4.66 0.00 0.00 -1.12 -4.88 117.00 106.30 2cw3 n LEU 127 Ca 0.02 0.80 -0.39 0.00 0.00 0.00 0.00 56.01 56.45 2cw3 n LEU 127 Cb 0.52 -1.36 -0.07 0.00 0.00 0.00 0.00 43.42 42.51 2cw3 n LEU 127 CO 0.34 -0.25 0.14 0.12 0.00 0.00 0.00 177.39 177.74 2cw3 s PHE 128 N 5.05 3.36 0.00 1.96 5.36 -1.26 -4.91 117.98 127.54 2cw3 s PHE 128 Ca 0.97 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2cw3 s PHE 128 Cb -0.71 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 2cw3 s PHE 128 CO 0.50 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.62 2cw3 n GLY 129 N 3.98 -0.94 3.67 13.12 0.00 -1.26 -4.88 105.19 118.87 2cw3 n GLY 129 Ca -0.07 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 6.65 0.00 1.61 0.01 -1.26 -4.79 113.70 111.92 2cw3 s SER 130 Ca 0.00 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2cw3 s SER 130 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2cw3 s SER 130 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2cw3 n GLY 131 N 3.72 1.80 3.03 3.44 0.00 -1.26 0.43 105.19 116.35 2cw3 n GLY 131 Ca -0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -5.42 0.09 -0.13 1.61 0.52 0.21 -1.51 118.94 114.32 2cw3 s TRP 132 Ca 0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 56.10 55.92 2cw3 s TRP 132 Cb 0.00 -0.08 -0.02 0.00 -1.15 0.00 0.00 33.47 32.22 2cw3 s TRP 132 CO 0.00 -0.20 -0.12 0.42 0.02 0.00 0.00 176.95 177.07 2cw3 s ILE 133 N -1.09 3.13 -0.05 2.03 -1.09 -0.92 -0.93 121.20 122.29 2cw3 s ILE 133 Ca -0.12 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.71 2cw3 s ILE 133 Cb -0.07 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2cw3 s ILE 133 CO 0.00 0.52 -0.19 0.26 -1.23 0.00 0.00 174.94 174.31 2cw3 s TRP 134 N 0.31 1.89 -0.15 3.97 0.52 0.19 -1.39 118.94 124.28 2cw3 s TRP 134 Ca -0.10 -0.58 -0.27 0.00 0.02 0.00 0.00 56.10 55.17 2cw3 s TRP 134 Cb -0.16 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 2cw3 s TRP 134 CO 0.05 -0.20 0.92 -1.17 0.02 0.00 0.00 176.95 176.57 2cw3 s LEU 135 N 0.07 4.20 0.21 2.99 2.96 -1.09 -0.46 118.68 127.55 2cw3 s LEU 135 Ca -0.06 1.33 0.10 0.00 -0.22 0.00 0.00 54.13 55.29 2cw3 s LEU 135 Cb -0.13 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2cw3 s LEU 135 CO 0.03 -0.44 -0.21 0.68 -1.32 0.00 0.00 176.35 175.09 2cw3 s VAL 136 N 2.18 2.18 -0.33 1.68 -7.23 1.00 -0.59 120.40 119.30 2cw3 s VAL 136 Ca 0.43 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 2cw3 s VAL 136 Cb -0.17 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2cw3 s VAL 136 CO 0.14 -0.28 0.17 0.86 -0.31 0.00 0.00 175.10 175.68 2cw3 s TRP 137 N -2.09 3.20 -0.57 2.82 -0.11 -0.35 -0.55 118.94 121.29 2cw3 s TRP 137 Ca 0.22 -0.66 -0.28 0.00 1.22 0.00 0.00 56.10 56.59 2cw3 s TRP 137 Cb -0.06 -2.38 0.03 0.00 -1.50 0.00 0.00 33.47 29.56 2cw3 s TRP 137 CO 0.10 -0.50 1.19 0.34 -4.62 0.00 0.00 176.95 173.45 2cw3 s ASP 138 N 1.60 6.46 0.14 5.86 3.68 0.47 -1.23 116.67 133.66 2cw3 s ASP 138 Ca 0.04 0.13 -0.10 0.00 2.13 0.00 0.00 52.55 54.75 2cw3 s ASP 138 Cb -0.18 -2.55 -0.04 0.00 -1.45 0.00 0.00 42.92 38.70 2cw3 s ASP 138 CO 0.06 -1.46 1.46 0.71 0.13 0.00 0.00 175.17 176.07 2cw3 h THR 139 N 6.16 1.27 -0.67 1.71 1.35 -1.69 0.28 112.91 121.33 2cw3 h THR 139 Ca -0.25 -1.63 0.13 0.00 -0.55 0.00 0.00 66.41 64.11 2cw3 h THR 139 Cb 1.06 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 68.93 2cw3 h THR 139 CO 1.18 0.54 0.45 0.03 -0.25 0.00 0.00 175.52 177.47 2cw3 h ARG 140 N 0.71 0.37 -0.01 4.72 2.47 -1.90 -3.12 114.38 117.62 2cw3 h ARG 140 Ca 0.04 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2cw3 h ARG 140 Cb 1.05 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2cw3 h ARG 140 CO 0.11 0.24 -0.04 0.39 0.56 0.00 0.00 179.97 181.23 2cw3 n GLU 141 N -4.47 0.75 -3.59 0.04 -0.58 -1.03 -5.03 120.64 106.73 2cw3 n GLU 141 Ca 0.12 -0.72 -0.24 0.00 -0.42 0.00 0.00 57.16 55.90 2cw3 n GLU 141 Cb 0.47 -1.06 0.02 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.10 -1.28 -3.56 3.49 1.74 0.96 -5.00 116.66 113.10 2cw3 n ARG 142 Ca 0.03 0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 57.75 2cw3 n ARG 142 Cb 0.14 -3.97 -0.04 0.00 -1.02 0.00 0.00 32.46 27.57 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 -5.18 0.60 0.65 5.56 1.70 -1.10 -5.01 118.95 116.18 2cw3 s ARG 143 Ca 0.27 -0.01 -0.14 0.00 -0.47 0.00 0.00 55.73 55.38 2cw3 s ARG 143 Cb -0.10 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 2cw3 s ARG 143 CO 0.85 -0.22 1.09 -0.51 -1.08 0.00 0.00 175.30 175.42 2cw3 s LEU 144 N -1.60 3.36 0.19 -1.89 1.43 -1.26 -0.40 118.68 118.51 2cw3 s LEU 144 Ca 0.02 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 54.77 2cw3 s LEU 144 Cb -0.01 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.73 2cw3 s LEU 144 CO -0.02 -1.50 0.63 -0.62 0.23 0.00 0.00 176.35 175.06 2cw3 s ASP 145 N -2.86 -0.49 -0.14 2.29 3.68 0.29 -4.83 116.67 114.60 2cw3 s ASP 145 Ca 0.64 -0.16 -0.00 0.00 2.13 0.00 0.00 52.55 55.16 2cw3 s ASP 145 Cb -0.18 0.63 -0.01 0.00 -1.45 0.00 0.00 42.92 41.91 2cw3 s ASP 145 CO 0.43 -1.06 -0.13 -0.76 0.13 0.00 0.00 175.17 173.78 2cw3 s LEU 146 N -2.79 2.69 0.00 -1.34 1.43 -1.26 -0.00 118.68 117.41 2cw3 s LEU 146 Ca 0.04 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 2cw3 s LEU 146 Cb -0.02 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2cw3 s LEU 146 CO -0.08 0.13 -0.12 0.54 0.23 0.00 0.00 176.35 177.05 2cw3 s VAL 147 N 0.56 0.94 -0.09 -1.59 0.11 0.39 -4.96 120.40 115.76 2cw3 s VAL 147 Ca -0.08 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 2cw3 s VAL 147 Cb -0.16 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2cw3 s VAL 147 CO 0.03 0.17 0.07 -0.83 -3.33 0.00 0.00 175.10 171.21 2cw3 s GLY 148 N -0.53 2.00 0.07 6.54 0.00 -1.26 0.55 107.32 114.69 2cw3 s GLY 148 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.06 2cw3 s GLY 148 CO 0.00 -0.51 -0.14 -0.51 0.00 0.00 0.00 173.10 171.95 2cw3 s THR 149 N -0.97 1.06 0.08 0.90 -4.23 -0.11 -4.98 115.64 107.39 2cw3 s THR 149 Ca 0.15 -1.29 -0.05 0.00 -1.18 0.00 0.00 61.69 59.32 2cw3 s THR 149 Cb -0.12 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 2cw3 s THR 149 CO 0.04 -0.24 0.32 -1.59 -0.54 0.00 0.00 174.62 172.61 2cw3 s LYS 150 N -1.73 3.59 3.60 3.99 0.00 -1.26 -0.62 119.74 127.31 2cw3 s LYS 150 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 55.97 55.82 2cw3 s LYS 150 Cb -0.10 -2.97 0.00 0.00 0.00 0.00 0.00 37.83 34.76 2cw3 s LYS 150 CO 0.02 0.56 0.00 -0.25 0.00 0.00 0.00 175.35 175.68 2cw3 n ASP 151 N 0.51 0.00 -0.29 0.03 8.00 0.17 -0.86 116.55 124.11 2cw3 n ASP 151 Ca -0.06 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.47 2cw3 n ASP 151 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 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 8.29 2.41 -1.18 2.24 0.00 -1.26 -4.62 120.51 126.38 2cw3 n ALA 152 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.47 2cw3 n ALA 152 Cb 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.66 2.29 0.23 0.00 3.76 -0.04 -4.35 115.29 116.53 2cw3 s HIS 153 Ca 0.09 1.27 -0.22 0.00 -0.15 0.00 0.00 55.06 56.05 2cw3 s HIS 153 Cb 0.06 -3.16 0.04 0.00 1.11 0.00 0.00 32.58 30.63 2cw3 s HIS 153 CO 0.09 -2.42 0.70 -1.54 -0.85 0.00 0.00 174.74 170.72 2cw3 s SER 154 N -3.39 -0.35 0.38 1.40 1.04 -1.26 -4.64 113.70 106.88 2cw3 s SER 154 Ca 0.63 -0.40 0.15 0.00 0.48 0.00 0.00 55.95 56.82 2cw3 s SER 154 Cb -0.18 0.67 1.02 0.00 0.10 0.00 0.00 66.02 67.63 2cw3 s SER 154 CO 0.57 -1.20 1.79 -0.65 0.98 0.00 0.00 173.24 174.73 2cw3 h PRO 155 N 2.00 0.46 -0.28 4.02 0.11 -1.97 0.80 132.00 137.14 2cw3 h PRO 155 Ca -0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2cw3 h PRO 155 Cb 1.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2cw3 h PRO 155 CO 0.28 0.31 -0.02 1.25 -0.21 0.00 0.00 178.00 179.61 2cw3 h LEU 156 N 0.48 0.51 -0.47 2.35 5.85 -1.96 0.81 115.31 122.87 2cw3 h LEU 156 Ca 0.57 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2cw3 h LEU 156 Cb 1.30 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2cw3 h LEU 156 CO -0.30 0.71 -0.20 0.77 -0.34 0.00 0.00 178.44 179.08 2cw3 h SER 157 N 0.29 0.00 1.23 1.25 4.64 -1.63 -2.88 113.55 116.45 2cw3 h SER 157 Ca 0.08 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 2cw3 h SER 157 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2cw3 h SER 157 CO 0.02 0.20 -0.79 -0.33 -0.87 0.00 0.00 176.83 175.06 2cw3 h GLU 158 N 0.00 0.00 -6.50 4.77 4.39 -0.71 -3.46 114.58 113.07 2cw3 h GLU 158 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2cw3 h GLU 158 Cb 0.98 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.53 2cw3 h GLU 158 CO 0.03 0.57 -0.81 -3.47 -1.16 0.00 0.00 179.01 174.16 2cw3 n ASP 159 N -3.19 -3.29 -1.23 1.42 4.64 0.26 -4.83 116.55 110.33 2cw3 n ASP 159 Ca -0.01 -0.91 -0.02 0.00 -1.38 0.00 0.00 54.79 52.47 2cw3 n ASP 159 Cb 0.80 -3.31 0.23 0.00 -1.04 0.00 0.00 41.12 37.80 2cw3 n ASP 159 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2cw3 n ALA 160 N -4.50 3.99 -0.16 -1.67 0.00 -1.26 -4.93 120.51 111.99 2cw3 n ALA 160 Ca -0.02 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.65 2cw3 n ALA 160 Cb 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2cw3 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cw3 n GLY 161 N -0.84 1.24 3.57 0.00 0.00 -1.26 -4.89 105.19 103.01 2cw3 n GLY 161 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.51 3.68 -0.37 1.61 0.00 -1.26 -1.98 119.74 120.91 2cw3 s LYS 162 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 55.97 55.82 2cw3 s LYS 162 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 37.83 34.03 2cw3 s LYS 162 CO 0.00 -0.74 0.73 0.42 0.00 0.00 0.00 175.35 175.76 2cw3 s ILE 163 N 2.73 4.78 0.15 3.79 1.01 -0.36 -4.50 121.20 128.79 2cw3 s ILE 163 Ca 0.25 0.72 -0.33 0.00 0.00 0.00 0.00 60.65 61.29 2cw3 s ILE 163 Cb -0.14 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 2cw3 s ILE 163 CO 0.15 -0.43 1.69 -0.81 0.00 0.00 0.00 174.94 175.54 2cw3 n PRO 164 N 6.32 2.43 -0.06 2.79 -0.04 -1.26 -1.21 135.00 143.96 2cw3 n PRO 164 Ca 0.01 0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 64.26 2cw3 n PRO 164 Cb 0.48 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 2cw3 n PRO 164 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2cw3 n LEU 165 N 4.21 2.83 -3.89 1.53 4.77 0.25 -4.88 117.00 121.82 2cw3 n LEU 165 Ca 0.17 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2cw3 n LEU 165 Cb 0.32 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2cw3 n LEU 165 CO 0.65 0.68 0.01 0.72 -1.33 0.00 0.00 177.39 178.11 2cw3 s PHE 166 N -2.25 0.24 -0.03 -1.77 -0.12 -1.20 -3.91 117.98 108.93 2cw3 s PHE 166 Ca -0.17 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2cw3 s PHE 166 Cb 0.05 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 2cw3 s PHE 166 CO 0.29 -0.70 0.09 -0.08 -0.05 0.00 0.00 175.22 174.77 2cw3 s THR 167 N -3.92 0.00 -0.22 -4.49 -1.32 -1.26 -2.66 115.64 101.77 2cw3 s THR 167 Ca 0.12 -0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 60.54 2cw3 s THR 167 Cb 0.03 -0.14 -0.00 0.00 -1.51 0.00 0.00 72.50 70.88 2cw3 s THR 167 CO -0.04 -0.01 -0.06 0.00 -2.21 0.00 0.00 174.62 172.30 2cw3 s ASP 169 N 1.46 6.70 0.00 0.00 3.68 -1.26 -2.15 116.67 125.09 2cw3 s ASP 169 Ca 0.05 2.30 0.12 0.00 2.13 0.00 0.00 52.55 57.15 2cw3 s ASP 169 Cb -0.14 -2.56 0.27 0.00 -1.45 0.00 0.00 42.92 39.04 2cw3 s ASP 169 CO -0.04 -0.84 1.17 0.52 0.13 0.00 0.00 175.17 176.11 2cw3 n VAL 170 N 4.89 0.73 -1.92 1.11 0.31 -0.57 -4.83 118.33 118.05 2cw3 n VAL 170 Ca 0.15 -0.86 -0.40 0.00 -0.01 0.00 0.00 64.34 63.22 2cw3 n VAL 170 Cb 0.42 0.71 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 2cw3 n VAL 170 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2cw3 s TRP 171 N -1.00 2.67 0.51 3.52 0.52 -1.18 -4.43 118.94 119.54 2cw3 s TRP 171 Ca 0.22 1.31 0.21 0.00 0.02 0.00 0.00 56.10 57.86 2cw3 s TRP 171 Cb 0.12 -3.83 1.30 0.00 -1.15 0.00 0.00 33.47 29.91 2cw3 s TRP 171 CO 0.17 -2.56 2.04 0.93 0.02 0.00 0.00 176.95 177.55 2cw3 h GLU 172 N 2.70 0.06 0.00 4.98 5.08 -1.93 0.10 114.58 125.56 2cw3 h GLU 172 Ca -0.50 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2cw3 h GLU 172 Cb 1.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2cw3 h GLU 172 CO 0.63 0.04 -0.03 1.12 -1.00 0.00 0.00 179.01 179.77 2cw3 h HIS 173 N 0.06 0.00 0.00 4.33 2.07 -1.98 0.31 115.15 119.95 2cw3 h HIS 173 Ca 0.18 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.64 2cw3 h HIS 173 Cb 0.62 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 2cw3 h HIS 173 CO -0.00 0.03 -0.29 0.00 -3.07 0.00 0.00 177.93 174.60 2cw3 h ALA 174 N 1.97 1.32 0.00 6.11 0.00 -1.29 -3.38 119.26 123.99 2cw3 h ALA 174 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2cw3 h ALA 174 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2cw3 h ALA 174 CO 0.00 0.36 0.00 2.48 0.00 0.00 0.00 179.25 182.09 2cw3 n TYR 175 N -3.90 0.00 -0.16 0.00 0.18 -0.88 -4.94 117.16 107.47 2cw3 n TYR 175 Ca -0.02 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.67 2cw3 n TYR 175 Cb 0.37 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 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 0.81 -0.99 -3.48 3.20 -1.13 0.44 116.97 115.82 2cw3 h TYR 176 Ca 0.00 -0.11 0.19 0.00 3.14 0.00 0.00 58.73 61.95 2cw3 h TYR 176 Cb 0.05 -0.23 -0.10 0.00 1.54 0.00 0.00 36.73 38.00 2cw3 h TYR 176 CO 0.00 0.75 0.61 -0.07 -1.64 0.00 0.00 178.16 177.81 2cw3 h LEU 177 N 0.64 0.76 0.07 2.82 4.07 -1.86 -1.33 115.31 120.48 2cw3 h LEU 177 Ca 0.14 0.09 -0.35 0.00 0.08 0.00 0.00 57.88 57.84 2cw3 h LEU 177 Cb 0.36 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 2cw3 h LEU 177 CO 0.01 0.28 -2.03 0.47 -1.08 0.00 0.00 178.44 176.09 2cw3 n ASP 178 N -4.72 1.68 0.00 -0.43 10.43 -0.24 -4.67 116.55 118.61 2cw3 n ASP 178 Ca 0.22 0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.78 2cw3 n ASP 178 Cb 0.57 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 43.04 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 -3.30 0.00 -0.09 1.24 4.01 0.14 -5.10 117.16 114.07 2cw3 n TYR 179 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2cw3 n TYR 179 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 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 -0.31 0.00 0.19 -0.72 3.00 -0.50 -1.69 117.38 117.35 2cw3 n GLN 180 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2cw3 n GLN 180 Cb 0.05 0.00 0.67 0.00 0.00 0.00 0.00 30.24 30.96 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 -0.89 1.08 2.07 -1.94 -3.39 115.15 112.08 2cw3 h HIS 181 Ca 0.00 0.00 -0.73 0.00 -2.85 0.00 0.00 60.37 56.79 2cw3 h HIS 181 Cb 0.00 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 29.87 2cw3 h HIS 181 CO 0.00 0.00 2.41 -3.47 -3.07 0.00 0.00 177.93 173.80 2cw3 n ASP 182 N -2.41 4.64 -0.11 3.10 4.64 -0.68 -4.74 116.55 120.98 2cw3 n ASP 182 Ca -0.01 -2.99 0.01 0.00 -1.38 0.00 0.00 54.79 50.42 2cw3 n ASP 182 Cb 0.09 -1.56 0.29 0.00 -1.04 0.00 0.00 41.12 38.90 2cw3 n ASP 182 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2cw3 h ARG 183 N 6.01 0.77 -0.52 -0.67 2.43 -1.84 -2.74 114.38 117.81 2cw3 h ARG 183 Ca 0.46 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.48 2cw3 h ARG 183 Cb 0.66 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2cw3 h ARG 183 CO 1.69 0.57 0.06 0.00 -1.51 0.00 0.00 179.97 180.78 2cw3 h ALA 184 N 1.55 1.11 -0.40 2.80 0.00 -1.95 0.45 119.26 122.83 2cw3 h ALA 184 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2cw3 h ALA 184 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2cw3 h ALA 184 CO -0.03 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.00 2cw3 h ALA 185 N 1.26 0.51 0.42 0.00 0.00 -1.89 -0.60 119.26 118.96 2cw3 h ALA 185 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2cw3 h ALA 185 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2cw3 h ALA 185 CO 0.01 0.06 -0.29 -0.92 0.00 0.00 0.00 179.25 178.11 2cw3 h TYR 186 N 0.51 -0.77 -0.43 0.00 3.20 -1.23 -3.05 116.97 115.20 2cw3 h TYR 186 Ca 0.14 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2cw3 h TYR 186 Cb 0.09 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 2cw3 h TYR 186 CO -0.02 -0.44 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.84 2cw3 h LEU 187 N -0.69 -0.53 -1.32 2.82 4.07 -0.84 0.11 115.31 118.93 2cw3 h LEU 187 Ca -0.04 0.14 0.13 0.00 0.08 0.00 0.00 57.88 58.19 2cw3 h LEU 187 Cb 0.59 0.32 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 2cw3 h LEU 187 CO 0.02 -0.19 0.56 0.74 -1.08 0.00 0.00 178.44 178.49 2cw3 h THR 188 N -0.06 0.87 0.07 0.22 2.02 -1.07 -1.86 112.91 113.10 2cw3 h THR 188 Ca 0.21 -0.24 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 2cw3 h THR 188 Cb 0.38 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2cw3 h THR 188 CO -0.47 0.13 -1.49 0.03 0.37 0.00 0.00 175.52 174.08 2cw3 h ARG 189 N 0.69 0.14 0.00 6.66 3.08 -1.36 -3.27 114.38 120.32 2cw3 h ARG 189 Ca 0.42 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2cw3 h ARG 189 Cb 0.65 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2cw3 h ARG 189 CO -0.18 0.95 -0.12 2.35 -1.07 0.00 0.00 179.97 181.90 2cw3 h TRP 190 N 0.04 0.00 -0.52 3.04 7.01 -0.18 -2.13 115.95 123.21 2cw3 h TRP 190 Ca -0.22 0.00 0.02 0.00 2.11 0.00 0.00 58.89 60.81 2cw3 h TRP 190 Cb 1.97 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.99 2cw3 h TRP 190 CO 0.04 0.12 0.32 2.35 -2.79 0.00 0.00 178.44 178.47 2cw3 h TRP 191 N 0.00 0.59 0.00 2.65 7.01 -1.41 -1.40 115.95 123.39 2cw3 h TRP 191 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2cw3 h TRP 191 Cb 0.27 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2cw3 h TRP 191 CO 0.00 0.34 0.04 -1.13 -2.79 0.00 0.00 178.44 174.90 2cw3 n SER 192 N -4.78 0.25 0.01 2.65 3.41 -0.80 -2.01 113.62 112.34 2cw3 n SER 192 Ca 0.04 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2cw3 n SER 192 Cb 0.07 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.83 0.65 -4.66 1.04 4.77 -0.53 -4.98 117.00 111.46 2cw3 n LEU 193 Ca -0.01 -0.14 -0.48 0.00 -0.03 0.00 0.00 56.01 55.36 2cw3 n LEU 193 Cb 0.05 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2cw3 n LEU 193 CO 0.04 0.10 1.20 -0.38 -1.33 0.00 0.00 177.39 177.03 2cw3 n ILE 194 N -1.81 0.11 -2.74 -0.08 5.41 -0.85 -0.74 119.36 118.65 2cw3 n ILE 194 Ca 0.02 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 2cw3 n ILE 194 Cb 0.41 -1.47 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 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 1.49 6.76 0.48 4.38 3.84 0.11 -4.39 114.94 127.61 2cw3 s ASN 195 Ca 0.83 -2.24 0.14 0.00 0.21 0.00 0.00 52.86 51.80 2cw3 s ASN 195 Cb -0.74 -2.49 1.12 0.00 -0.55 0.00 0.00 41.25 38.59 2cw3 s ASN 195 CO 0.43 -1.13 2.09 -0.50 -2.79 0.00 0.00 177.10 175.20 2cw3 h TRP 196 N 8.33 0.21 0.16 0.43 4.06 -1.16 -1.61 115.95 126.38 2cw3 h TRP 196 Ca 0.29 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.23 2cw3 h TRP 196 Cb 0.94 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 2cw3 h TRP 196 CO 1.25 0.13 -0.08 1.49 -3.56 0.00 0.00 178.44 177.67 2cw3 h GLU 197 N 0.22 -0.21 -0.44 0.49 4.81 -1.72 -0.72 114.58 117.00 2cw3 h GLU 197 Ca 0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2cw3 h GLU 197 Cb 0.12 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2cw3 h GLU 197 CO -0.02 -0.14 0.20 0.35 -0.73 0.00 0.00 179.01 178.67 2cw3 h PHE 198 N -0.23 0.36 -0.72 0.92 3.57 -1.63 0.11 116.94 119.32 2cw3 h PHE 198 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2cw3 h PHE 198 Cb 0.17 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2cw3 h PHE 198 CO -0.07 0.17 0.44 0.00 -2.23 0.00 0.00 178.31 176.62 2cw3 h ALA 199 N 1.26 0.97 -0.50 2.41 0.00 -1.24 -1.93 119.26 120.22 2cw3 h ALA 199 Ca 0.20 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2cw3 h ALA 199 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2cw3 h ALA 199 CO -0.16 0.17 -0.19 0.22 0.00 0.00 0.00 179.25 179.29 2cw3 h ASP 200 N 0.82 1.03 0.12 0.00 3.58 -0.07 -2.82 116.42 119.08 2cw3 h ASP 200 Ca 0.31 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2cw3 h ASP 200 Cb 0.11 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2cw3 h ASP 200 CO -0.15 1.18 0.00 0.77 -2.88 0.00 0.00 179.24 178.16 2cw3 h SER 201 N 0.88 0.00 0.44 2.28 4.64 -0.05 -1.81 113.55 119.94 2cw3 h SER 201 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2cw3 h SER 201 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2cw3 h SER 201 CO 0.06 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 176.49 2cw3 n ASN 202 N -2.94 0.39 0.00 4.97 5.03 -0.99 -5.09 115.26 116.63 2cw3 n ASN 202 Ca -0.02 -0.42 0.03 0.00 0.87 0.00 0.00 54.58 55.03 2cw3 n ASN 202 Cb 0.09 -0.11 0.17 0.00 -1.02 0.00 0.00 39.78 38.92 2cw3 n ASN 202 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61