#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cw0 s GLU 3 N 0.00 2.68 -0.62 0.00 2.02 -1.26 -5.01 118.70 116.51 2cw0 s GLU 3 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 54.01 2cw0 s GLU 3 Cb 0.00 -2.61 -0.15 0.00 0.10 0.00 0.00 34.13 31.47 2cw0 s GLU 3 CO 0.00 0.57 1.78 -2.30 0.02 0.00 0.00 175.26 175.33 2cw0 n PRO 4 N 0.74 0.00 -3.94 0.39 -0.02 -1.26 -2.86 135.00 128.06 2cw0 n PRO 4 Ca -0.11 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.01 2cw0 n PRO 4 Cb 0.52 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.98 2cw0 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cw0 n GLY 5 N 4.63 -1.07 0.12 -1.23 0.00 -1.26 -4.81 105.19 101.57 2cw0 n GLY 5 Ca 0.44 0.47 0.10 0.00 0.00 0.00 0.00 46.02 47.02 2cw0 n GLY 5 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2cw0 n ILE 6 N -3.89 1.09 0.04 -0.61 0.13 -1.13 -1.42 119.36 113.57 2cw0 n ILE 6 Ca -0.21 0.52 -0.13 0.00 -1.10 0.00 0.00 62.75 61.83 2cw0 n ILE 6 Cb 0.63 -1.48 -0.14 0.00 -0.84 0.00 0.00 39.64 37.81 2cw0 n ILE 6 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2cw0 h ASP 7 N 0.00 0.22 -0.06 9.51 3.32 -1.90 -2.44 116.42 125.07 2cw0 h ASP 7 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2cw0 h ASP 7 Cb 0.13 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2cw0 h ASP 7 CO 0.00 1.27 0.04 0.11 -1.72 0.00 0.00 179.24 178.94 2cw0 h LYS 8 N 0.04 0.08 -0.17 3.56 1.57 -1.59 -1.87 116.57 118.19 2cw0 h LYS 8 Ca -0.22 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2cw0 h LYS 8 Cb 1.97 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 2cw0 h LYS 8 CO 0.13 0.07 0.07 -0.07 -0.57 0.00 0.00 179.45 179.08 2cw0 h LEU 9 N 0.06 0.23 0.00 2.94 3.38 -1.67 -1.39 115.31 118.86 2cw0 h LEU 9 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cw0 h LEU 9 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2cw0 h LEU 9 CO -0.00 0.32 0.00 0.49 0.09 0.00 0.00 178.44 179.34 2cw0 n PHE 10 N -4.87 0.00 -0.04 1.13 0.99 -0.92 -0.70 117.46 113.06 2cw0 n PHE 10 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.38 2cw0 n PHE 10 Cb 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.53 2cw0 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2cw0 n GLY 11 N -0.89 -0.42 0.00 1.37 0.00 -0.55 -4.59 105.19 100.10 2cw0 n GLY 11 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2cw0 n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cw0 n MET 12 N -2.24 0.67 -4.60 1.61 2.81 0.13 -4.85 117.12 110.65 2cw0 n MET 12 Ca -0.12 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.50 2cw0 n MET 12 Cb 0.70 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.62 2cw0 n MET 12 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2cw0 s VAL 13 N -2.00 1.45 -1.94 2.03 -7.23 -1.25 -5.04 120.40 106.43 2cw0 s VAL 13 Ca 0.31 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.71 2cw0 s VAL 13 Cb 0.14 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2cw0 s VAL 13 CO 0.24 0.00 1.11 -0.90 -0.31 0.00 0.00 175.10 175.24 2cw0 n ASP 14 N -1.00 1.88 -3.52 4.85 5.75 -1.26 -4.92 116.55 118.33 2cw0 n ASP 14 Ca -0.08 -1.43 -0.01 0.00 -0.01 0.00 0.00 54.79 53.27 2cw0 n ASP 14 Cb 0.67 0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 41.20 2cw0 n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2cw0 s SER 15 N -2.52 -0.70 0.12 -1.12 0.15 -1.26 -5.04 113.70 103.33 2cw0 s SER 15 Ca 0.18 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.72 2cw0 s SER 15 Cb 0.18 1.65 0.09 0.00 -1.71 0.00 0.00 66.02 66.24 2cw0 s SER 15 CO 0.59 -0.14 0.84 1.17 1.20 0.00 0.00 173.24 176.90 2cw0 n LYS 16 N 4.71 -0.15 0.09 5.44 4.81 -1.26 0.28 118.16 132.08 2cw0 n LYS 16 Ca -0.13 0.84 0.08 0.00 -0.87 0.00 0.00 58.31 58.23 2cw0 n LYS 16 Cb 0.54 -1.24 0.37 0.00 0.02 0.00 0.00 35.03 34.72 2cw0 n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2cw0 n TYR 17 N -4.78 0.45 0.05 5.64 4.01 -1.26 -2.75 117.16 118.52 2cw0 n TYR 17 Ca 0.05 0.21 -0.09 0.00 -0.16 0.00 0.00 57.90 57.91 2cw0 n TYR 17 Cb 0.20 -0.84 -0.13 0.00 -0.31 0.00 0.00 39.34 38.26 2cw0 n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2cw0 h ARG 18 N 0.00 0.05 -0.16 -0.72 2.43 0.36 -3.30 114.38 113.04 2cw0 h ARG 18 Ca 0.00 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2cw0 h ARG 18 Cb 0.12 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2cw0 h ARG 18 CO 0.00 0.92 -0.25 1.25 -1.51 0.00 0.00 179.97 180.37 2cw0 h LEU 19 N 0.01 -0.78 -1.47 3.80 5.85 -1.54 -0.13 115.31 121.05 2cw0 h LEU 19 Ca -0.11 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2cw0 h LEU 19 Cb 1.87 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 43.21 2cw0 h LEU 19 CO 0.13 -0.30 0.42 0.74 -0.34 0.00 0.00 178.44 179.09 2cw0 h THR 20 N -0.30 1.03 -0.14 1.05 2.02 -1.75 0.30 112.91 115.12 2cw0 h THR 20 Ca 0.11 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2cw0 h THR 20 Cb 0.47 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2cw0 h THR 20 CO -0.34 0.12 -0.30 0.58 0.37 0.00 0.00 175.52 175.96 2cw0 h VAL 21 N 0.66 1.26 0.00 3.16 2.07 -1.30 -0.66 116.25 121.43 2cw0 h VAL 21 Ca 0.27 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2cw0 h VAL 21 Cb 0.22 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2cw0 h VAL 21 CO -0.08 0.38 0.00 0.52 0.02 0.00 0.00 177.57 178.41 2cw0 n VAL 22 N -4.12 0.00 -0.26 2.57 0.31 0.94 -2.84 118.33 114.93 2cw0 n VAL 22 Ca -0.01 0.39 0.13 0.00 -0.01 0.00 0.00 64.34 64.84 2cw0 n VAL 22 Cb 0.40 -0.99 0.25 0.00 -0.91 0.00 0.00 33.84 32.59 2cw0 n VAL 22 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2cw0 n VAL 23 N -0.16 -0.32 0.31 2.52 0.31 -0.52 0.16 118.33 120.63 2cw0 n VAL 23 Ca 0.00 1.68 0.18 0.00 -0.01 0.00 0.00 64.34 66.18 2cw0 n VAL 23 Cb 0.00 -2.48 0.98 0.00 -0.91 0.00 0.00 33.84 31.43 2cw0 n VAL 23 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cw0 h ALA 24 N 1.54 1.25 0.03 3.52 0.00 -1.24 0.16 119.26 124.52 2cw0 h ALA 24 Ca 0.49 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.99 2cw0 h ALA 24 Cb 1.06 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2cw0 h ALA 24 CO -0.71 0.03 -2.26 1.63 0.00 0.00 0.00 179.25 177.94 2cw0 n LYS 25 N -3.47 0.66 0.24 0.00 5.02 0.43 -1.99 118.16 119.05 2cw0 n LYS 25 Ca -0.03 0.24 0.16 0.00 -2.02 0.00 0.00 58.31 56.67 2cw0 n LYS 25 Cb 0.12 -1.58 0.87 0.00 -0.02 0.00 0.00 35.03 34.42 2cw0 n LYS 25 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2cw0 h ARG 26 N -0.28 0.00 0.01 1.97 9.65 -0.32 0.58 114.38 125.99 2cw0 h ARG 26 Ca -0.55 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 57.98 2cw0 h ARG 26 Cb 1.82 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.34 2cw0 h ARG 26 CO -0.13 0.00 -2.17 0.00 2.80 0.00 0.00 179.97 180.47 2cw0 n ALA 27 N -2.31 1.45 -0.35 2.80 0.00 0.54 -2.87 120.51 119.77 2cw0 n ALA 27 Ca -0.00 -1.10 0.13 0.00 0.00 0.00 0.00 53.44 52.47 2cw0 n ALA 27 Cb 0.23 -0.40 0.33 0.00 0.00 0.00 0.00 19.45 19.62 2cw0 n ALA 27 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2cw0 h GLN 28 N 0.00 0.73 -0.11 0.00 4.20 -0.30 -0.56 115.11 119.08 2cw0 h GLN 28 Ca -0.47 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2cw0 h GLN 28 Cb 2.13 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.74 2cw0 h GLN 28 CO 0.03 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 2cw0 n GLN 29 N -4.73 2.32 -0.09 1.46 10.64 -0.41 -3.33 117.38 123.24 2cw0 n GLN 29 Ca 0.23 -1.93 0.11 0.00 -1.83 0.00 0.00 57.00 53.58 2cw0 n GLN 29 Cb 0.57 -1.47 0.34 0.00 -0.86 0.00 0.00 30.24 28.82 2cw0 n GLN 29 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2cw0 n LEU 30 N 1.29 2.07 0.02 2.61 7.94 -0.22 -3.91 117.00 126.79 2cw0 n LEU 30 Ca 0.16 -0.85 0.00 0.00 -1.11 0.00 0.00 56.01 54.21 2cw0 n LEU 30 Cb 0.58 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.41 2cw0 n LEU 30 CO 0.15 0.43 0.00 -0.11 -1.11 0.00 0.00 177.39 176.75 2cw0 n LEU 31 N 0.59 0.29 0.00 -1.96 0.00 -0.91 -3.84 117.00 111.18 2cw0 n LEU 31 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 56.01 56.24 2cw0 n LEU 31 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.75 2cw0 n LEU 31 CO 0.14 -0.59 0.28 -1.14 0.00 0.00 0.00 177.39 176.09 2cw0 n ARG 32 N -2.82 0.00 -0.33 1.96 3.00 -1.21 -0.77 116.66 116.48 2cw0 n ARG 32 Ca 0.00 0.57 -0.03 0.00 -0.00 0.00 0.00 57.85 58.39 2cw0 n ARG 32 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 32.46 31.39 2cw0 n ARG 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2cw0 n HIS 33 N -1.43 0.00 -1.54 -0.14 8.25 -1.25 -4.81 115.22 114.29 2cw0 n HIS 33 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 2cw0 n HIS 33 Cb 0.00 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.42 2cw0 n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cw0 n GLY 34 N 2.42 -2.40 0.00 -1.41 0.00 0.05 -4.70 105.19 99.14 2cw0 n GLY 34 Ca 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2cw0 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2cw0 n PHE 35 N -0.33 0.00 -1.13 1.61 7.35 -1.25 -2.13 117.46 121.58 2cw0 n PHE 35 Ca 0.00 -0.01 -0.05 0.00 -0.76 0.00 0.00 57.45 56.62 2cw0 n PHE 35 Cb 0.00 -0.00 0.27 0.00 0.35 0.00 0.00 39.48 40.10 2cw0 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2cw0 n LYS 36 N -0.01 3.10 -0.21 -4.13 4.76 -1.26 -4.30 118.16 116.11 2cw0 n LYS 36 Ca 0.00 -3.06 -0.00 0.00 -2.87 0.00 0.00 58.31 52.38 2cw0 n LYS 36 Cb 0.12 -2.08 0.07 0.00 -1.84 0.00 0.00 35.03 31.30 2cw0 n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cw0 n ASN 37 N -0.50 2.27 -4.77 4.39 4.13 -1.26 -4.92 115.26 114.59 2cw0 n ASN 37 Ca 0.39 -2.23 -0.35 0.00 1.68 0.00 0.00 54.58 54.06 2cw0 n ASN 37 Cb 1.28 -0.55 0.01 0.00 -1.54 0.00 0.00 39.78 38.98 2cw0 n ASN 37 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2cw0 s THR 38 N -1.21 3.09 -0.23 3.41 -1.32 -1.26 -4.97 115.64 113.14 2cw0 s THR 38 Ca 0.12 0.68 0.16 0.00 -1.21 0.00 0.00 61.69 61.44 2cw0 s THR 38 Cb 0.09 -3.28 0.64 0.00 -1.51 0.00 0.00 72.50 68.44 2cw0 s THR 38 CO 0.03 -0.15 1.55 1.33 -2.21 0.00 0.00 174.62 175.17 2cw0 n VAL 39 N -1.32 2.44 -3.40 5.08 0.24 -1.26 -4.87 118.33 115.23 2cw0 n VAL 39 Ca 0.12 -1.68 0.02 0.00 -2.04 0.00 0.00 64.34 60.75 2cw0 n VAL 39 Cb 0.51 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.58 2cw0 n VAL 39 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2cw0 s LEU 40 N -2.76 -0.23 0.41 1.34 0.05 -1.26 -5.04 118.68 111.17 2cw0 s LEU 40 Ca 0.47 0.34 0.00 0.00 0.05 0.00 0.00 54.13 54.99 2cw0 s LEU 40 Cb 0.37 1.29 0.00 0.00 -2.05 0.00 0.00 46.19 45.80 2cw0 s LEU 40 CO 0.12 -0.05 0.00 1.21 -0.55 0.00 0.00 176.35 177.08 2cw0 n GLU 41 N 4.18 0.00 0.00 1.48 4.07 -1.26 -4.97 120.64 124.14 2cw0 n GLU 41 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 2cw0 n GLU 41 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 2cw0 n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2cw0 n PRO 42 N -3.41 0.00 0.00 5.31 -0.02 -1.26 -4.54 135.00 131.07 2cw0 n PRO 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2cw0 n PRO 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2cw0 n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2cw0 n GLU 43 N -3.26 0.00 -1.68 -0.52 0.28 -1.26 -5.05 120.64 109.15 2cw0 n GLU 43 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 2cw0 n GLU 43 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2cw0 n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cw0 s GLU 44 N 2.78 1.88 0.23 3.44 8.01 -1.26 -4.88 118.70 128.90 2cw0 s GLU 44 Ca 0.00 0.44 -0.03 0.00 0.01 0.00 0.00 54.97 55.39 2cw0 s GLU 44 Cb 0.00 -4.80 -0.03 0.00 -4.31 0.00 0.00 34.13 24.99 2cw0 s GLU 44 CO 0.00 -4.04 0.23 1.03 0.01 0.00 0.00 175.26 172.49 2cw0 s ARG 45 N 8.38 1.34 0.08 1.61 1.81 -1.26 -4.99 118.95 125.92 2cw0 s ARG 45 Ca 0.88 -1.57 -0.03 0.00 -1.72 0.00 0.00 55.73 53.28 2cw0 s ARG 45 Cb -0.12 0.33 -0.03 0.00 -0.45 0.00 0.00 34.95 34.68 2cw0 s ARG 45 CO 0.09 -0.48 -0.01 -2.30 -0.68 0.00 0.00 175.30 171.91 2cw0 n PRO 46 N -0.33 0.00 -3.65 3.54 -0.02 -1.26 -5.03 135.00 128.25 2cw0 n PRO 46 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2cw0 n PRO 46 Cb 0.65 -0.18 -0.06 0.00 -0.02 0.00 0.00 33.50 33.89 2cw0 n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2cw0 s LYS 47 N -0.18 0.06 0.00 -0.52 -2.85 -1.26 -4.64 119.74 110.35 2cw0 s LYS 47 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.11 2cw0 s LYS 47 Cb -0.09 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 2cw0 s LYS 47 CO 0.11 -0.01 0.00 0.00 0.10 0.00 0.00 175.35 175.55 2cw0 n MET 48 N 1.10 2.63 -0.77 1.78 0.00 -1.26 -4.91 117.12 115.68 2cw0 n MET 48 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.69 2cw0 n MET 48 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.88 2cw0 n MET 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2cw0 n GLN 49 N 0.00 0.59 0.10 3.17 6.02 -1.26 -4.07 117.38 121.93 2cw0 n GLN 49 Ca 0.00 -2.14 -0.04 0.00 -0.01 0.00 0.00 57.00 54.81 2cw0 n GLN 49 Cb 0.00 -0.77 0.05 0.00 1.02 0.00 0.00 30.24 30.54 2cw0 n GLN 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2cw0 h THR 50 N 4.38 1.55 0.00 5.09 2.02 -2.01 -3.45 112.91 120.49 2cw0 h THR 50 Ca -0.08 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2cw0 h THR 50 Cb 1.40 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2cw0 h THR 50 CO 0.03 0.75 0.00 0.00 0.37 0.00 0.00 175.52 176.68 2cw0 n LEU 51 N -3.63 0.00 0.00 2.58 -0.00 -1.26 -5.07 117.00 109.62 2cw0 n LEU 51 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2cw0 n LEU 51 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 2cw0 n LEU 51 CO 0.44 0.00 0.06 -0.62 -0.00 0.00 0.00 177.39 177.27 2cw0 n GLU 52 N 0.00 0.00 -2.40 1.47 -0.58 -1.26 -4.89 120.64 112.99 2cw0 n GLU 52 Ca 0.00 -0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 2cw0 n GLU 52 Cb 0.00 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 2cw0 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cw0 n GLY 53 N 0.00 5.00 0.15 0.62 0.00 -1.26 -4.43 105.19 105.27 2cw0 n GLY 53 Ca 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.91 2cw0 n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cw0 n LEU 54 N 2.81 0.44 -0.30 0.99 0.00 -1.26 -3.71 117.00 115.98 2cw0 n LEU 54 Ca 0.42 -0.18 0.18 0.00 0.00 0.00 0.00 56.01 56.43 2cw0 n LEU 54 Cb 0.33 -0.02 0.45 0.00 0.00 0.00 0.00 43.42 44.18 2cw0 n LEU 54 CO 0.77 0.09 1.22 -0.26 0.00 0.00 0.00 177.39 179.20 2cw0 h PHE 55 N 0.60 0.73 0.00 1.96 0.04 -1.82 -3.38 116.94 115.07 2cw0 h PHE 55 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2cw0 h PHE 55 Cb 0.13 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2cw0 h PHE 55 CO 0.02 0.16 0.00 -3.47 -0.60 0.00 0.00 178.31 174.42 2cw0 n ASP 56 N -4.61 0.00 -2.27 2.17 -0.08 -1.24 -4.94 116.55 105.57 2cw0 n ASP 56 Ca 0.22 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.46 2cw0 n ASP 56 Cb 0.70 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.21 2cw0 n ASP 56 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2cw0 n ASP 57 N 0.00 2.11 0.00 1.67 5.75 -1.26 -4.95 116.55 119.86 2cw0 n ASP 57 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 2cw0 n ASP 57 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 2cw0 n ASP 57 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2cw0 n PRO 58 N -0.44 0.60 -1.81 0.11 -0.02 -1.26 -4.71 135.00 127.47 2cw0 n PRO 58 Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 2cw0 n PRO 58 Cb 0.89 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.34 2cw0 n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2cw0 s ASN 59 N -1.72 5.99 0.49 2.55 3.04 -1.26 -4.84 114.94 119.20 2cw0 s ASN 59 Ca 0.00 1.94 0.25 0.00 0.04 0.00 0.00 52.86 55.08 2cw0 s ASN 59 Cb 0.00 -2.52 1.29 0.00 -1.54 0.00 0.00 41.25 38.47 2cw0 s ASN 59 CO 0.00 -1.52 2.01 0.00 -3.04 0.00 0.00 177.10 174.55 2cw0 h ALA 60 N 12.56 1.29 -0.01 1.71 0.00 -1.95 -3.03 119.26 129.84 2cw0 h ALA 60 Ca -0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2cw0 h ALA 60 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2cw0 h ALA 60 CO 0.97 0.20 -0.65 -0.85 0.00 0.00 0.00 179.25 178.92 2cw0 n GLU 61 N -3.70 0.53 -0.01 0.00 -0.00 -1.26 -3.33 120.64 112.87 2cw0 n GLU 61 Ca -0.02 -0.42 0.11 0.00 -0.00 0.00 0.00 57.16 56.84 2cw0 n GLU 61 Cb 0.28 -1.49 0.58 0.00 -0.00 0.00 0.00 31.44 30.80 2cw0 n GLU 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2cw0 n THR 62 N -0.87 0.04 -0.08 3.84 -1.04 -1.14 -2.38 114.28 112.64 2cw0 n THR 62 Ca 0.07 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 61.84 2cw0 n THR 62 Cb 0.38 -0.17 -0.05 0.00 -1.82 0.00 0.00 70.33 68.67 2cw0 n THR 62 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2cw0 n TRP 63 N -0.58 0.00 -0.05 -1.42 7.02 -1.25 -4.00 117.44 117.17 2cw0 n TRP 63 Ca 0.16 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.62 2cw0 n TRP 63 Cb 0.13 -0.59 -0.02 0.00 -2.42 0.00 0.00 31.31 28.42 2cw0 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2cw0 h ALA 64 N -0.71 -0.27 -0.92 6.99 0.00 -1.53 1.73 119.26 124.57 2cw0 h ALA 64 Ca -0.33 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.72 2cw0 h ALA 64 Cb 1.19 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 2cw0 h ALA 64 CO -0.20 -0.33 0.53 0.52 0.00 0.00 0.00 179.25 179.77 2cw0 h MET 65 N -0.04 0.76 0.00 0.00 2.86 -1.75 0.58 114.93 117.33 2cw0 h MET 65 Ca 0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2cw0 h MET 65 Cb 0.10 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2cw0 h MET 65 CO -0.14 0.50 0.00 -0.22 1.06 0.00 0.00 176.91 178.11 2cw0 h LYS 66 N 0.78 0.00 0.02 1.72 1.63 0.71 0.12 116.57 121.55 2cw0 h LYS 66 Ca 0.48 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.91 2cw0 h LYS 66 Cb 0.60 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.18 2cw0 h LYS 66 CO -0.32 0.00 -2.11 0.39 -3.45 0.00 0.00 179.45 173.96 2cw0 n GLU 67 N -2.96 0.63 -0.25 1.90 1.02 0.51 -4.24 120.64 117.25 2cw0 n GLU 67 Ca -0.02 0.32 0.17 0.00 -0.02 0.00 0.00 57.16 57.61 2cw0 n GLU 67 Cb 0.12 -1.60 0.47 0.00 -0.02 0.00 0.00 31.44 30.41 2cw0 n GLU 67 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2cw0 h LEU 68 N -0.59 0.48 -0.01 -4.62 5.85 0.46 0.02 115.31 116.91 2cw0 h LEU 68 Ca -0.54 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2cw0 h LEU 68 Cb 1.67 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 2cw0 h LEU 68 CO -0.21 0.21 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.95 2cw0 h LEU 69 N 0.49 -0.22-10.07 2.25 3.38 -0.96 -3.41 115.31 106.76 2cw0 h LEU 69 Ca 0.46 0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.95 2cw0 h LEU 69 Cb 1.03 0.10 0.10 0.00 0.09 0.00 0.00 40.66 41.97 2cw0 h LEU 69 CO -0.19 -0.11 0.48 -0.89 0.09 0.00 0.00 178.44 177.82 2cw0 s THR 70 N -6.17 2.75 -1.23 0.22 2.01 -0.01 -4.86 115.64 108.35 2cw0 s THR 70 Ca -0.14 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 2cw0 s THR 70 Cb 0.08 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 2cw0 s THR 70 CO 0.66 -0.07 1.82 -0.83 -0.69 0.00 0.00 174.62 175.51 2cw0 s GLY 71 N -1.51 0.96 0.00 4.40 0.00 -1.26 -4.50 107.32 105.41 2cw0 s GLY 71 Ca 0.73 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2cw0 s GLY 71 CO 0.34 3.10 0.00 0.54 0.00 0.00 0.00 173.10 177.08 2cw0 n ARG 72 N 8.38 0.00 -0.99 2.90 1.74 -1.26 -5.12 116.66 122.32 2cw0 n ARG 72 Ca 0.46 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 2cw0 n ARG 72 Cb 0.46 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.97 2cw0 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2cw0 n LEU 73 N -1.29 -3.79 -4.08 0.55 4.77 -1.26 -5.01 117.00 106.88 2cw0 n LEU 73 Ca 0.00 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 2cw0 n LEU 73 Cb 0.00 -0.92 -0.17 0.00 -2.33 0.00 0.00 43.42 40.00 2cw0 n LEU 73 CO 0.00 -5.09 -0.49 -0.69 -1.33 0.00 0.00 177.39 169.79 2cw0 s VAL 74 N -2.10 1.38 -0.02 4.08 1.01 -1.26 -5.09 120.40 118.40 2cw0 s VAL 74 Ca 0.48 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2cw0 s VAL 74 Cb -0.23 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2cw0 s VAL 74 CO 0.76 0.41 0.05 0.72 0.00 0.00 0.00 175.10 177.03 2cw0 s PHE 75 N 0.48 -0.03 0.32 5.22 -0.12 -1.26 -5.12 117.98 117.48 2cw0 s PHE 75 Ca -0.14 0.16 -0.08 0.00 -0.05 0.00 0.00 56.93 56.82 2cw0 s PHE 75 Cb -0.15 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2cw0 s PHE 75 CO 0.05 -0.07 0.54 0.20 -0.05 0.00 0.00 175.22 175.89 2cw0 s GLY 76 N 0.66 0.97 0.03 1.99 0.00 -1.26 -5.07 107.32 104.64 2cw0 s GLY 76 Ca -0.05 -1.16 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 2cw0 s GLY 76 CO -0.02 -0.74 1.39 -2.09 0.00 0.00 0.00 173.10 171.63 2cw0 h GLU 77 N 2.13 0.18 -2.68 2.90 4.81 -2.05 -3.38 114.58 116.49 2cw0 h GLU 77 Ca -0.28 -0.08 -0.60 0.00 -0.13 0.00 0.00 59.36 58.27 2cw0 h GLU 77 Cb 1.25 -0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.22 2cw0 h GLU 77 CO 0.38 0.53 -0.80 -0.80 -0.73 0.00 0.00 179.01 177.58 2cw0 s ASN 78 N -5.80 2.90 0.00 1.04 0.01 -1.26 -5.04 114.94 106.79 2cw0 s ASN 78 Ca -0.15 -3.37 0.00 0.00 -0.71 0.00 0.00 52.86 48.63 2cw0 s ASN 78 Cb 0.04 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.76 2cw0 s ASN 78 CO 0.71 -0.14 0.00 -0.11 -1.51 0.00 0.00 177.10 176.05 2cw0 n LEU 79 N 2.51 0.00 -4.63 0.60 -0.00 -1.26 -4.94 117.00 109.28 2cw0 n LEU 79 Ca 0.25 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.91 2cw0 n LEU 79 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.74 2cw0 n LEU 79 CO 0.16 0.00 -0.29 -0.69 -0.00 0.00 0.00 177.39 176.58 2cw0 s VAL 80 N 0.00 4.49 0.06 1.96 1.01 -1.26 -5.05 120.40 121.61 2cw0 s VAL 80 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2cw0 s VAL 80 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 2cw0 s VAL 80 CO 0.00 0.52 0.22 -2.65 0.00 0.00 0.00 175.10 173.19 2cw0 n PRO 81 N 3.08 0.00 0.00 2.72 -0.02 -1.26 -4.86 135.00 134.65 2cw0 n PRO 81 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2cw0 n PRO 81 Cb 0.53 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 2cw0 n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2cw0 n GLU 82 N 0.40 0.00 0.02 -0.52 -0.58 -1.26 -3.58 120.64 115.12 2cw0 n GLU 82 Ca 0.07 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 56.96 2cw0 n GLU 82 Cb 0.08 -0.78 -0.08 0.00 -0.57 0.00 0.00 31.44 30.09 2cw0 n GLU 82 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2cw0 h ASP 83 N 0.00 0.00 0.00 1.62 1.82 -2.05 -3.11 116.42 114.70 2cw0 h ASP 83 Ca 0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2cw0 h ASP 83 Cb 0.00 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2cw0 h ASP 83 CO 0.00 0.17 0.00 -1.14 -1.61 0.00 0.00 179.24 176.66 2cw0 n ARG 84 N -5.01 0.01 0.05 0.28 3.00 -1.26 -2.88 116.66 110.85 2cw0 n ARG 84 Ca -0.07 0.04 -0.02 0.00 -0.00 0.00 0.00 57.85 57.80 2cw0 n ARG 84 Cb 0.11 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.06 2cw0 n ARG 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2cw0 h LEU 85 N 0.00 -0.12 -1.41 6.15 5.85 -1.59 -2.73 115.31 121.45 2cw0 h LEU 85 Ca 0.00 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 2cw0 h LEU 85 Cb 0.00 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 2cw0 h LEU 85 CO 0.00 -0.06 0.66 0.06 -0.34 0.00 0.00 178.44 178.76 2cw0 h GLN 86 N -0.18 0.39 -0.92 1.25 3.07 -1.76 0.21 115.11 117.16 2cw0 h GLN 86 Ca -0.01 -0.02 0.01 0.00 0.09 0.00 0.00 58.65 58.71 2cw0 h GLN 86 Cb 0.11 -0.09 -0.05 0.00 0.08 0.00 0.00 27.48 27.53 2cw0 h GLN 86 CO 0.02 0.25 0.61 -0.22 0.09 0.00 0.00 178.83 179.59 2cw0 h LYS 87 N 0.40 1.21 -0.00 0.06 3.64 -1.65 -0.12 116.57 120.11 2cw0 h LYS 87 Ca 0.56 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2cw0 h LYS 87 Cb 1.43 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2cw0 h LYS 87 CO -0.26 0.80 -0.07 0.39 -2.27 0.00 0.00 179.45 178.04 2cw0 n GLU 88 N -4.44 0.04 -0.05 1.90 -0.58 0.64 -2.87 120.64 115.27 2cw0 n GLU 88 Ca 0.10 -0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 2cw0 n GLU 88 Cb 0.01 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2cw0 n GLU 88 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2cw0 h MET 89 N 0.01 0.00 -1.00 3.49 4.05 -0.09 -3.30 114.93 118.09 2cw0 h MET 89 Ca 0.00 0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.64 2cw0 h MET 89 Cb 0.49 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.17 2cw0 h MET 89 CO 0.00 0.00 0.61 0.93 0.23 0.00 0.00 176.91 178.68 2cw0 h GLU 90 N -0.95 0.66 0.00 0.39 5.08 -1.18 0.60 114.58 119.18 2cw0 h GLU 90 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2cw0 h GLU 90 Cb 0.15 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2cw0 h GLU 90 CO 0.00 0.44 -0.05 0.00 -1.00 0.00 0.00 179.01 178.39 2cw0 h ARG 91 N 0.68 0.00 0.00 2.33 3.08 -1.69 -3.34 114.38 115.44 2cw0 h ARG 91 Ca 0.61 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.41 2cw0 h ARG 91 Cb 1.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2cw0 h ARG 91 CO -0.42 0.05 -1.94 -0.89 -1.07 0.00 0.00 179.97 175.71 2cw0 n ILE 92 N -3.26 0.94 -3.92 2.04 2.08 0.13 -4.98 119.36 112.40 2cw0 n ILE 92 Ca -0.01 -0.40 -0.35 0.00 0.56 0.00 0.00 62.75 62.55 2cw0 n ILE 92 Cb 0.25 -1.00 -0.14 0.00 -0.75 0.00 0.00 39.64 38.00 2cw0 n ILE 92 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2cw0 s TYR 93 N -2.33 3.08 1.07 1.39 1.51 -0.76 -5.11 117.35 116.20 2cw0 s TYR 93 Ca -0.19 -1.45 -0.18 0.00 -1.01 0.00 0.00 57.07 54.24 2cw0 s TYR 93 Cb 0.05 -2.10 0.24 0.00 -0.11 0.00 0.00 41.96 40.05 2cw0 s TYR 93 CO 0.41 -0.70 1.27 -2.14 -1.11 0.00 0.00 175.55 173.28 2cw0 s PRO 94 N 1.36 -0.19 0.00 -1.71 0.02 -1.26 -4.71 135.00 128.50 2cw0 s PRO 94 Ca 0.01 -0.37 0.00 0.00 0.02 0.00 0.00 61.00 60.65 2cw0 s PRO 94 Cb -0.17 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2cw0 s PRO 94 CO -0.03 -2.98 0.00 0.41 -0.33 0.00 0.00 177.00 174.07 2cw0 n GLY 95 N -2.86 1.05 2.69 0.52 0.00 -1.26 -4.38 105.19 100.96 2cw0 n GLY 95 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2cw0 n GLY 95 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11