#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cw0 s ASP 3 N 0.00 6.10 0.00 0.00 -1.08 -1.26 -4.93 116.67 115.50 1cw0 s ASP 3 Ca 0.00 2.45 0.28 0.00 -0.52 0.00 0.00 52.55 54.76 1cw0 s ASP 3 Cb 0.00 -2.62 1.02 0.00 -1.46 0.00 0.00 42.92 39.87 1cw0 s ASP 3 CO 0.00 -0.97 1.73 1.33 0.52 0.00 0.00 175.17 177.77 1cw0 n VAL 4 N -0.37 0.00 -4.45 1.11 0.24 -1.26 -4.86 118.33 108.73 1cw0 n VAL 4 Ca 0.07 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.34 61.88 1cw0 n VAL 4 Cb 0.46 0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 1cw0 n VAL 4 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1cw0 s HIS 5 N -2.04 2.28 0.61 6.34 3.76 -1.26 -5.10 115.29 119.89 1cw0 s HIS 5 Ca 0.37 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 1cw0 s HIS 5 Cb 0.21 -1.03 0.02 0.00 1.11 0.00 0.00 32.58 32.89 1cw0 s HIS 5 CO 0.35 0.65 0.93 0.16 -0.85 0.00 0.00 174.74 175.98 1cw0 s ASP 6 N -3.27 5.46 0.16 1.40 -4.77 -1.26 -4.73 116.67 109.65 1cw0 s ASP 6 Ca 0.27 0.70 -0.27 0.00 -3.30 0.00 0.00 52.55 49.95 1cw0 s ASP 6 Cb -0.06 -1.62 0.01 0.00 -1.09 0.00 0.00 42.92 40.16 1cw0 s ASP 6 CO 0.13 -1.16 1.56 0.50 0.70 0.00 0.00 175.17 176.91 1cw0 h LYS 7 N -0.27 -0.25 -0.70 2.11 3.64 -2.00 0.81 116.57 119.91 1cw0 h LYS 7 Ca -0.45 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1cw0 h LYS 7 Cb 1.27 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1cw0 h LYS 7 CO 0.61 -0.17 0.28 0.00 -2.27 0.00 0.00 179.45 177.89 1cw0 h ALA 8 N 0.49 0.95 -0.27 5.00 0.00 -1.99 -0.47 119.26 122.97 1cw0 h ALA 8 Ca 0.16 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1cw0 h ALA 8 Cb 0.57 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cw0 h ALA 8 CO -0.66 -0.19 -0.32 1.15 0.00 0.00 0.00 179.25 179.23 1cw0 h THR 9 N 0.44 1.31 -0.70 0.00 2.02 -1.67 -1.70 112.91 112.60 1cw0 h THR 9 Ca 0.37 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1cw0 h THR 9 Cb 0.51 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1cw0 h THR 9 CO -0.36 0.48 0.39 -0.09 0.37 0.00 0.00 175.52 176.31 1cw0 h ARG 10 N 0.43 0.97 -0.67 6.66 9.65 -0.43 0.47 114.38 131.45 1cw0 h ARG 10 Ca 0.04 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1cw0 h ARG 10 Cb 0.90 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 1cw0 h ARG 10 CO 0.08 0.71 0.21 0.77 2.80 0.00 0.00 179.97 184.53 1cw0 h SER 11 N 0.98 0.97 -0.06 -3.80 0.02 -0.96 -0.15 113.55 110.56 1cw0 h SER 11 Ca 0.25 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1cw0 h SER 11 Cb 0.01 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1cw0 h SER 11 CO -0.04 0.93 0.03 0.50 -1.14 0.00 0.00 176.83 177.10 1cw0 h LYS 12 N 0.97 0.08 -0.43 3.45 3.64 -0.34 0.71 116.57 124.65 1cw0 h LYS 12 Ca 0.21 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1cw0 h LYS 12 Cb 0.30 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1cw0 h LYS 12 CO -0.01 0.19 0.11 -0.97 -2.27 0.00 0.00 179.45 176.50 1cw0 h ASN 13 N -0.04 0.06 -0.02 4.20 -0.00 -0.72 -1.70 115.58 117.35 1cw0 h ASN 13 Ca 0.02 0.07 -0.08 0.00 -0.00 0.00 0.00 56.30 56.30 1cw0 h ASN 13 Cb 0.14 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.52 1cw0 h ASN 13 CO -0.00 0.07 -0.23 0.24 -0.00 0.00 0.00 177.43 177.51 1cw0 h MET 14 N 0.25 0.42 0.00 6.67 2.86 -0.81 -2.86 114.93 121.46 1cw0 h MET 14 Ca 0.21 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1cw0 h MET 14 Cb 0.24 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1cw0 h MET 14 CO -0.25 0.62 -0.39 0.00 1.06 0.00 0.00 176.91 177.95 1cw0 h ARG 15 N 0.38 0.00 0.00 1.72 3.08 -0.12 -3.03 114.38 116.41 1cw0 h ARG 15 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1cw0 h ARG 15 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1cw0 h ARG 15 CO 0.04 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 1cw0 h ALA 16 N 1.61 1.00 -2.06 0.04 0.00 -1.10 -3.44 119.26 115.31 1cw0 h ALA 16 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 1cw0 h ALA 16 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1cw0 h ALA 16 CO 0.05 0.00 1.12 0.42 0.00 0.00 0.00 179.25 180.85 1cw0 s ILE 17 N -3.23 3.69 0.66 0.00 1.01 -1.15 -5.00 121.20 117.18 1cw0 s ILE 17 Ca 0.07 0.78 -0.10 0.00 0.00 0.00 0.00 60.65 61.41 1cw0 s ILE 17 Cb 0.10 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1cw0 s ILE 17 CO 0.55 -0.27 1.03 0.00 0.00 0.00 0.00 174.94 176.25 1cw0 s ALA 18 N 5.11 3.04 -2.15 9.38 0.00 -1.26 -5.00 121.76 130.88 1cw0 s ALA 18 Ca 0.72 -0.41 0.18 0.00 0.00 0.00 0.00 51.96 52.44 1cw0 s ALA 18 Cb -0.26 -2.90 0.19 0.00 0.00 0.00 0.00 23.12 20.15 1cw0 s ALA 18 CO 0.29 -0.97 1.12 0.25 0.00 0.00 0.00 175.76 176.45 1cw0 n THR 19 N -2.84 0.13 -3.47 0.00 -2.24 -1.26 -4.88 114.28 99.72 1cw0 n THR 19 Ca 0.06 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1cw0 n THR 19 Cb 0.57 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 70.03 1cw0 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cw0 s ARG 20 N -1.44 1.01 -1.41 -0.78 1.70 -1.26 -4.97 118.95 111.81 1cw0 s ARG 20 Ca 0.23 -0.32 -0.10 0.00 -0.47 0.00 0.00 55.73 55.07 1cw0 s ARG 20 Cb 0.16 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 35.04 1cw0 s ARG 20 CO 0.23 -0.43 1.13 -0.25 -1.08 0.00 0.00 175.30 174.90 1cw0 n ASP 21 N -0.19 -5.94 -4.20 -2.89 8.00 -1.26 -4.99 116.55 105.08 1cw0 n ASP 21 Ca -0.13 -0.61 -0.30 0.00 0.71 0.00 0.00 54.79 54.47 1cw0 n ASP 21 Cb 0.63 -4.71 0.18 0.00 -0.02 0.00 0.00 41.12 37.20 1cw0 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1cw0 s THR 22 N -3.31 1.97 0.17 -3.53 -4.23 -1.26 -4.73 115.64 100.72 1cw0 s THR 22 Ca 0.61 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.97 1cw0 s THR 22 Cb -0.28 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.65 1cw0 s THR 22 CO 0.76 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.58 1cw0 h ALA 23 N -1.64 0.46 -0.11 3.99 0.00 -1.99 0.26 119.26 120.22 1cw0 h ALA 23 Ca -0.45 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1cw0 h ALA 23 Cb 1.25 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1cw0 h ALA 23 CO 0.41 -0.29 -0.29 -0.84 0.00 0.00 0.00 179.25 178.25 1cw0 h ILE 24 N 0.25 1.25 -0.14 0.00 3.07 -1.96 -2.14 117.51 117.84 1cw0 h ILE 24 Ca 0.19 -1.18 -0.18 0.00 1.55 0.00 0.00 64.86 65.24 1cw0 h ILE 24 Cb 0.21 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1cw0 h ILE 24 CO -0.23 0.36 -0.66 -0.33 -1.05 0.00 0.00 178.15 176.24 1cw0 h GLU 25 N 0.19 0.54 -0.52 0.16 5.08 -1.77 -2.29 114.58 115.96 1cw0 h GLU 25 Ca 0.03 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1cw0 h GLU 25 Cb 0.61 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1cw0 h GLU 25 CO 0.04 1.01 0.06 0.87 -1.00 0.00 0.00 179.01 180.00 1cw0 h LYS 26 N 0.39 0.88 -0.38 2.33 1.57 -0.64 -0.33 116.57 120.39 1cw0 h LYS 26 Ca -0.02 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1cw0 h LYS 26 Cb 1.23 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1cw0 h LYS 26 CO 0.12 0.88 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.60 1cw0 h ARG 27 N 0.76 0.79 -0.47 3.15 2.43 -1.37 -1.68 114.38 117.99 1cw0 h ARG 27 Ca 0.15 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1cw0 h ARG 27 Cb 0.44 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1cw0 h ARG 27 CO 0.02 0.97 0.20 1.25 -1.51 0.00 0.00 179.97 180.90 1cw0 h LEU 28 N 0.58 0.63 -0.31 3.80 5.85 -1.33 -0.62 115.31 123.91 1cw0 h LEU 28 Ca 0.08 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1cw0 h LEU 28 Cb 0.73 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1cw0 h LEU 28 CO 0.06 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1cw0 h ALA 29 N 1.05 0.28 -0.89 1.25 0.00 -0.97 0.63 119.26 120.62 1cw0 h ALA 29 Ca 0.16 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cw0 h ALA 29 Cb 0.16 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1cw0 h ALA 29 CO -0.02 -0.40 0.58 1.03 0.00 0.00 0.00 179.25 180.44 1cw0 h SER 30 N 0.09 1.02 -0.34 0.00 0.87 -1.03 0.17 113.55 114.34 1cw0 h SER 30 Ca 0.15 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1cw0 h SER 30 Cb 0.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1cw0 h SER 30 CO -0.25 0.75 0.07 -0.07 -0.53 0.00 0.00 176.83 176.80 1cw0 h LEU 31 N 1.20 0.54 -0.54 2.23 3.38 -0.29 -1.21 115.31 120.62 1cw0 h LEU 31 Ca 0.32 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1cw0 h LEU 31 Cb -0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1cw0 h LEU 31 CO -0.07 0.65 0.06 -0.07 0.09 0.00 0.00 178.44 179.09 1cw0 h LEU 32 N 0.40 0.88 -0.80 1.67 3.38 -0.55 -2.38 115.31 117.91 1cw0 h LEU 32 Ca 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1cw0 h LEU 32 Cb 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1cw0 h LEU 32 CO 0.00 0.94 0.49 0.74 0.09 0.00 0.00 178.44 180.70 1cw0 h THR 33 N 0.80 1.22 0.00 0.22 2.02 -0.55 -1.26 112.91 115.36 1cw0 h THR 33 Ca 0.16 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1cw0 h THR 33 Cb 0.45 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1cw0 h THR 33 CO 0.02 0.23 -0.10 1.23 0.37 0.00 0.00 175.52 177.26 1cw0 h GLY 34 N 1.09 0.00 1.07 2.16 0.00 -0.99 -0.54 103.07 105.87 1cw0 h GLY 34 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1cw0 h GLY 34 CO -0.06 0.00 -0.09 -0.18 0.00 0.00 0.00 176.54 176.22 1cw0 n GLN 35 N -3.77 0.62 -0.96 4.80 7.27 -0.51 -4.93 117.38 119.91 1cw0 n GLN 35 Ca -0.02 -0.17 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1cw0 n GLN 35 Cb 0.21 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1cw0 n GLN 35 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1cw0 n GLY 36 N 1.28 0.46 3.65 1.69 0.00 -0.21 -5.03 105.19 107.03 1cw0 n GLY 36 Ca 0.14 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1cw0 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cw0 s LEU 37 N 0.00 4.12 -1.31 0.99 1.43 -1.06 -4.98 118.68 117.88 1cw0 s LEU 37 Ca 0.00 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 1cw0 s LEU 37 Cb 0.00 -3.05 0.12 0.00 0.03 0.00 0.00 46.19 43.29 1cw0 s LEU 37 CO 0.00 -0.39 1.85 0.00 0.23 0.00 0.00 176.35 178.04 1cw0 n ALA 38 N 5.46 4.84 -2.00 4.21 0.00 -1.26 -4.55 120.51 127.20 1cw0 n ALA 38 Ca 0.02 -4.13 -0.29 0.00 0.00 0.00 0.00 53.44 49.04 1cw0 n ALA 38 Cb 0.49 -3.22 0.03 0.00 0.00 0.00 0.00 19.45 16.75 1cw0 n ALA 38 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cw0 s PHE 39 N 1.85 3.41 0.32 0.00 -0.12 -1.26 -4.88 117.98 117.29 1cw0 s PHE 39 Ca 0.44 0.94 0.08 0.00 -0.05 0.00 0.00 56.93 58.35 1cw0 s PHE 39 Cb 0.07 -2.77 -0.04 0.00 -0.63 0.00 0.00 43.02 39.66 1cw0 s PHE 39 CO -0.01 -0.82 0.18 1.03 -0.05 0.00 0.00 175.22 175.55 1cw0 s ARG 40 N -5.11 2.55 0.15 1.99 0.52 0.25 -4.94 118.95 114.36 1cw0 s ARG 40 Ca 0.54 -1.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 1cw0 s ARG 40 Cb -0.11 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1cw0 s ARG 40 CO 0.49 0.18 -0.01 0.14 0.02 0.00 0.00 175.30 176.12 1cw0 s VAL 41 N -2.33 0.63 -1.29 3.52 -7.23 -1.26 -0.35 120.40 112.08 1cw0 s VAL 41 Ca 0.37 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 1cw0 s VAL 41 Cb -0.05 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.89 1cw0 s VAL 41 CO 0.24 -0.56 0.53 0.00 -0.31 0.00 0.00 175.10 175.00 1cw0 n GLN 42 N -0.19 -1.18 -2.36 4.82 1.13 -0.91 -4.85 117.38 113.84 1cw0 n GLN 42 Ca -0.08 0.23 -0.37 0.00 -1.94 0.00 0.00 57.00 54.84 1cw0 n GLN 42 Cb 0.63 -3.49 -0.03 0.00 0.11 0.00 0.00 30.24 27.46 1cw0 n GLN 42 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1cw0 s ASP 43 N -3.83 5.92 0.00 1.08 -1.08 -1.03 -4.84 116.67 112.89 1cw0 s ASP 43 Ca 0.31 -0.75 0.15 0.00 -0.52 0.00 0.00 52.55 51.73 1cw0 s ASP 43 Cb -0.15 -2.56 0.83 0.00 -1.46 0.00 0.00 42.92 39.59 1cw0 s ASP 43 CO 0.93 -2.00 1.33 0.00 0.52 0.00 0.00 175.17 175.95 1cw0 n ALA 44 N 10.74 1.97 0.73 3.66 0.00 -1.26 -2.25 120.51 134.10 1cw0 n ALA 44 Ca 0.25 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1cw0 n ALA 44 Cb 0.50 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 18.80 1cw0 n ALA 44 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cw0 n SER 45 N -1.09 0.63 -4.75 0.00 3.41 -1.26 -4.91 113.62 105.65 1cw0 n SER 45 Ca 0.10 -0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 58.19 1cw0 n SER 45 Cb 0.07 0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 1cw0 n SER 45 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cw0 s LEU 46 N -3.61 3.61 0.22 1.04 1.43 -0.96 -5.07 118.68 115.34 1cw0 s LEU 46 Ca 0.06 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 1cw0 s LEU 46 Cb 0.15 -2.20 -0.11 0.00 0.03 0.00 0.00 46.19 44.06 1cw0 s LEU 46 CO 0.77 0.04 1.62 -2.84 0.23 0.00 0.00 176.35 176.18 1cw0 s PRO 47 N -3.28 4.16 0.00 1.29 0.02 -1.26 -1.95 135.00 133.98 1cw0 s PRO 47 Ca 0.30 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1cw0 s PRO 47 Cb -0.09 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1cw0 s PRO 47 CO 0.22 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1cw0 n GLY 48 N 3.38 0.75 3.64 0.52 0.00 -1.26 -4.24 105.19 107.97 1cw0 n GLY 48 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1cw0 n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cw0 n ARG 49 N -2.22 -1.58 -1.51 1.61 0.63 -0.82 -4.75 116.66 108.02 1cw0 n ARG 49 Ca 0.00 0.97 -0.53 0.00 -0.92 0.00 0.00 57.85 57.37 1cw0 n ARG 49 Cb 0.02 -2.82 -0.06 0.00 0.45 0.00 0.00 32.46 30.05 1cw0 n ARG 49 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1cw0 n PRO 50 N -2.18 0.42 -0.26 -0.14 -0.02 -1.25 -4.46 135.00 127.11 1cw0 n PRO 50 Ca -0.24 0.15 -0.04 0.00 -2.02 0.00 0.00 63.50 61.35 1cw0 n PRO 50 Cb 0.66 -1.54 0.13 0.00 -0.02 0.00 0.00 33.50 32.72 1cw0 n PRO 50 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1cw0 h ASP 51 N 2.75 1.01 -4.34 2.55 3.32 -1.83 -2.62 116.42 117.27 1cw0 h ASP 51 Ca -0.43 -0.12 -0.33 0.00 0.02 0.00 0.00 57.03 56.17 1cw0 h ASP 51 Cb 1.40 -0.26 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 1cw0 h ASP 51 CO 0.65 0.86 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.92 1cw0 s PHE 52 N -5.62 0.69 -0.06 4.55 0.40 -0.56 -2.15 117.98 115.25 1cw0 s PHE 52 Ca -0.12 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1cw0 s PHE 52 Cb 0.16 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.29 1cw0 s PHE 52 CO 0.82 -0.03 -0.06 0.08 0.70 0.00 0.00 175.22 176.72 1cw0 s VAL 53 N -0.77 0.72 -0.60 -0.44 1.01 0.52 -1.11 120.40 119.73 1cw0 s VAL 53 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1cw0 s VAL 53 Cb -0.06 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.74 1cw0 s VAL 53 CO 0.00 0.27 0.37 -0.69 0.00 0.00 0.00 175.10 175.05 1cw0 s VAL 54 N 0.96 2.78 0.18 2.92 1.01 -0.08 -0.59 120.40 127.59 1cw0 s VAL 54 Ca -0.10 -3.71 -0.14 0.00 0.00 0.00 0.00 61.98 58.03 1cw0 s VAL 54 Cb -0.14 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.47 1cw0 s VAL 54 CO 0.00 -0.89 1.69 0.44 0.00 0.00 0.00 175.10 176.34 1cw0 h ASP 55 N 6.06 -0.16 -0.76 3.32 3.32 -1.90 -2.16 116.42 124.13 1cw0 h ASP 55 Ca 0.02 0.11 0.22 0.00 0.02 0.00 0.00 57.03 57.40 1cw0 h ASP 55 Cb 0.84 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1cw0 h ASP 55 CO 0.71 -0.05 0.61 -0.08 -1.72 0.00 0.00 179.24 178.71 1cw0 h GLU 56 N 0.13 0.00 0.00 3.56 4.81 -1.93 -0.47 114.58 120.68 1cw0 h GLU 56 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1cw0 h GLU 56 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1cw0 h GLU 56 CO -0.38 0.00 -0.05 0.66 -0.73 0.00 0.00 179.01 178.51 1cw0 n TYR 57 N -4.06 0.00 -4.16 0.92 4.01 -0.92 -5.01 117.16 107.94 1cw0 n TYR 57 Ca 0.16 -0.95 -0.36 0.00 -0.16 0.00 0.00 57.90 56.58 1cw0 n TYR 57 Cb 0.89 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.73 1cw0 n TYR 57 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1cw0 n ARG 58 N -1.33 -0.63 -4.00 -0.72 0.63 -0.19 -4.89 116.66 105.55 1cw0 n ARG 58 Ca 0.15 0.06 -0.08 0.00 -0.92 0.00 0.00 57.85 57.05 1cw0 n ARG 58 Cb 0.65 -2.89 -0.10 0.00 0.45 0.00 0.00 32.46 30.57 1cw0 n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cw0 s VAL 60 N -2.84 1.94 -0.03 0.00 -7.23 -0.09 -0.90 120.40 111.26 1cw0 s VAL 60 Ca -0.03 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1cw0 s VAL 60 Cb 0.00 -2.13 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1cw0 s VAL 60 CO -0.06 -0.53 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.57 1cw0 s ILE 61 N -2.85 0.18 -0.08 -0.62 1.01 -0.27 -1.57 121.20 117.00 1cw0 s ILE 61 Ca 0.25 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1cw0 s ILE 61 Cb -0.02 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1cw0 s ILE 61 CO 0.09 0.14 -0.07 -0.36 0.00 0.00 0.00 174.94 174.74 1cw0 s PHE 62 N 0.96 2.94 -0.32 3.97 0.40 -0.22 -1.49 117.98 124.23 1cw0 s PHE 62 Ca -0.10 -0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.10 1cw0 s PHE 62 Cb -0.13 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.66 1cw0 s PHE 62 CO -0.02 0.26 0.13 0.95 0.70 0.00 0.00 175.22 177.25 1cw0 s THR 63 N -0.62 4.23 -0.23 0.64 -4.23 -1.26 -0.10 115.64 114.07 1cw0 s THR 63 Ca 0.09 -0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1cw0 s THR 63 Cb -0.12 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 1cw0 s THR 63 CO 0.02 -0.02 0.19 -1.00 -0.54 0.00 0.00 174.62 173.26 1cw0 s HIS 64 N 1.53 3.33 0.09 3.99 3.76 0.12 -4.95 115.29 123.16 1cw0 s HIS 64 Ca 0.02 0.29 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 1cw0 s HIS 64 Cb -0.18 -2.29 -0.07 0.00 1.11 0.00 0.00 32.58 31.15 1cw0 s HIS 64 CO 0.04 0.08 1.27 0.20 -0.85 0.00 0.00 174.74 175.48 1cw0 s GLY 65 N 0.98 2.27 0.48 -2.22 0.00 -1.26 -0.36 107.32 107.21 1cw0 s GLY 65 Ca 0.09 0.95 0.15 0.00 0.00 0.00 0.00 44.72 45.91 1cw0 s GLY 65 CO 0.04 2.13 2.07 0.00 0.00 0.00 0.00 173.10 177.34 1cw0 h PHE 67 N 0.04 -0.30 -0.90 0.00 3.57 -1.91 0.93 116.94 118.37 1cw0 h PHE 67 Ca 0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1cw0 h PHE 67 Cb 0.15 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1cw0 h PHE 67 CO 0.00 -0.11 0.58 -1.49 -2.23 0.00 0.00 178.31 175.05 1cw0 h TRP 68 N -1.06 0.90 -0.61 0.41 4.06 -1.95 -2.10 115.95 115.59 1cw0 h TRP 68 Ca -0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1cw0 h TRP 68 Cb 0.31 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1cw0 h TRP 68 CO 0.02 0.36 0.00 0.72 -3.56 0.00 0.00 178.44 175.98 1cw0 n HIS 69 N -4.56 0.87 -3.47 0.49 8.25 -0.54 -4.77 115.22 111.51 1cw0 n HIS 69 Ca 0.17 -0.51 -0.15 0.00 -0.26 0.00 0.00 57.72 56.96 1cw0 n HIS 69 Cb 0.40 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1cw0 n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1cw0 n HIS 70 N 1.26 -2.48 -2.95 4.41 -0.00 -0.79 -4.75 115.22 109.91 1cw0 n HIS 70 Ca 0.21 0.99 -0.37 0.00 0.46 0.00 0.00 57.72 59.01 1cw0 n HIS 70 Cb 0.59 -3.29 -0.06 0.00 -0.12 0.00 0.00 29.99 27.11 1cw0 n HIS 70 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1cw0 s HIS 71 N -2.92 3.67 -1.28 1.57 5.04 0.28 -4.94 115.29 116.71 1cw0 s HIS 71 Ca 0.02 1.57 -0.09 0.00 -1.54 0.00 0.00 55.06 55.03 1cw0 s HIS 71 Cb -0.00 -2.76 0.17 0.00 0.04 0.00 0.00 32.58 30.03 1cw0 s HIS 71 CO 0.84 0.28 1.91 0.72 -2.34 0.00 0.00 174.74 176.15 1cw0 n HIS 72 N 0.66 2.85 -4.35 3.88 8.25 -1.26 -4.50 115.22 120.75 1cw0 n HIS 72 Ca -0.00 -2.78 -0.20 0.00 -0.26 0.00 0.00 57.72 54.48 1cw0 n HIS 72 Cb 0.51 -1.90 -0.09 0.00 1.12 0.00 0.00 29.99 29.63 1cw0 n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cw0 h TYR 74 N 2.14 0.00 0.00 0.00 -0.00 -2.02 -1.75 116.97 115.34 1cw0 h TYR 74 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.41 1cw0 h TYR 74 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1cw0 h TYR 74 CO 1.23 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 179.32 1cw0 h LEU 75 N 0.00 0.00 -9.19 0.10 3.38 -1.96 -3.45 115.31 104.20 1cw0 h LEU 75 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1cw0 h LEU 75 Cb 0.13 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 1cw0 h LEU 75 CO 0.00 0.00 -0.41 0.12 0.09 0.00 0.00 178.44 178.24 1cw0 s PHE 76 N -3.20 3.38 -0.02 1.13 5.36 -0.66 -4.68 117.98 119.29 1cw0 s PHE 76 Ca 0.08 0.40 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 1cw0 s PHE 76 Cb 0.07 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1cw0 s PHE 76 CO 0.64 0.14 -0.04 0.15 -1.46 0.00 0.00 175.22 174.65 1cw0 s LYS 77 N 0.81 0.54 -0.07 10.12 -0.14 -1.26 -4.83 119.74 124.91 1cw0 s LYS 77 Ca 0.12 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 1cw0 s LYS 77 Cb -0.13 -0.56 -0.04 0.00 -1.68 0.00 0.00 37.83 35.43 1cw0 s LYS 77 CO 0.03 0.03 1.35 0.08 -0.76 0.00 0.00 175.35 176.08 1cw0 s VAL 78 N 0.33 3.99 0.23 3.17 1.01 -1.26 -4.94 120.40 122.93 1cw0 s VAL 78 Ca -0.04 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 1cw0 s VAL 78 Cb -0.07 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1cw0 s VAL 78 CO -0.00 -0.05 1.24 -2.65 0.00 0.00 0.00 175.10 173.64 1cw0 n PRO 79 N 5.97 1.60 -0.03 2.72 -0.02 -1.26 -4.87 135.00 139.10 1cw0 n PRO 79 Ca 0.13 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.31 1cw0 n PRO 79 Cb 0.44 -2.11 0.44 0.00 -0.02 0.00 0.00 33.50 32.25 1cw0 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cw0 n ALA 80 N 1.39 2.54 -3.56 3.55 0.00 -1.26 -4.23 120.51 118.94 1cw0 n ALA 80 Ca 0.12 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 1cw0 n ALA 80 Cb 0.29 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.47 1cw0 n ALA 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cw0 s THR 81 N -1.91 1.56 -1.42 0.00 2.01 -1.26 -4.39 115.64 110.22 1cw0 s THR 81 Ca 0.36 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1cw0 s THR 81 Cb 0.20 -1.41 0.04 0.00 0.01 0.00 0.00 72.50 71.34 1cw0 s THR 81 CO 0.31 0.45 1.12 0.54 -0.69 0.00 0.00 174.62 176.35 1cw0 n ARG 82 N 4.03 -7.11 -0.21 4.92 1.74 -1.26 -4.85 116.66 113.93 1cw0 n ARG 82 Ca -0.20 0.75 -0.01 0.00 -0.77 0.00 0.00 57.85 57.62 1cw0 n ARG 82 Cb 0.52 -5.75 0.06 0.00 -1.02 0.00 0.00 32.46 26.27 1cw0 n ARG 82 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1cw0 h THR 83 N -2.49 0.39 -0.44 0.55 2.02 -1.84 -1.76 112.91 109.34 1cw0 h THR 83 Ca -0.57 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1cw0 h THR 83 Cb 1.37 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1cw0 h THR 83 CO 0.60 0.00 0.13 -0.33 0.37 0.00 0.00 175.52 176.29 1cw0 h GLU 84 N 0.00 0.27 0.02 6.66 3.07 -1.91 0.14 114.58 122.83 1cw0 h GLU 84 Ca 0.30 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1cw0 h GLU 84 Cb 0.45 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1cw0 h GLU 84 CO -0.63 0.18 -0.06 0.35 -1.40 0.00 0.00 179.01 177.45 1cw0 h PHE 85 N 0.28 -0.14 -0.62 4.33 3.57 -1.73 -2.19 116.94 120.45 1cw0 h PHE 85 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1cw0 h PHE 85 Cb 0.23 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1cw0 h PHE 85 CO -0.18 -0.09 0.14 -1.49 -2.23 0.00 0.00 178.31 174.46 1cw0 h TRP 86 N -0.11 1.06 -0.74 0.41 4.06 -0.98 -0.89 115.95 118.77 1cw0 h TRP 86 Ca 0.02 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1cw0 h TRP 86 Cb 0.13 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1cw0 h TRP 86 CO -0.12 0.90 0.39 -0.07 -3.56 0.00 0.00 178.44 175.98 1cw0 h LEU 87 N 0.92 0.94 -0.11 -4.49 3.38 -0.64 0.22 115.31 115.53 1cw0 h LEU 87 Ca 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1cw0 h LEU 87 Cb 0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1cw0 h LEU 87 CO 0.01 0.78 -0.09 -0.08 0.09 0.00 0.00 178.44 179.15 1cw0 h GLU 88 N 1.03 0.25 0.12 1.13 4.81 -1.26 0.30 114.58 120.95 1cw0 h GLU 88 Ca 0.26 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1cw0 h GLU 88 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1cw0 h GLU 88 CO -0.04 0.65 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.61 1cw0 h LYS 89 N -0.14 -0.15 -0.73 1.92 1.63 -0.99 0.11 116.57 118.23 1cw0 h LYS 89 Ca 0.02 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1cw0 h LYS 89 Cb 0.59 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1cw0 h LYS 89 CO 0.02 -0.07 0.19 0.82 -3.45 0.00 0.00 179.45 176.96 1cw0 h ILE 90 N -0.19 1.26 -0.70 2.00 2.04 -0.64 -1.30 117.51 119.98 1cw0 h ILE 90 Ca -0.02 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1cw0 h ILE 90 Cb 0.15 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1cw0 h ILE 90 CO 0.03 0.37 0.43 1.23 0.00 0.00 0.00 178.15 180.21 1cw0 h GLY 91 N 1.10 1.02 1.42 5.37 0.00 -0.66 -0.85 103.07 110.48 1cw0 h GLY 91 Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1cw0 h GLY 91 CO -0.00 0.25 -0.02 0.50 0.00 0.00 0.00 176.54 177.27 1cw0 h LYS 92 N 0.83 0.71 -0.42 4.80 1.57 -0.37 -1.85 116.57 121.84 1cw0 h LYS 92 Ca 0.29 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1cw0 h LYS 92 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1cw0 h LYS 92 CO -0.13 0.74 0.24 -0.91 -0.57 0.00 0.00 179.45 178.82 1cw0 h ASN 93 N 0.67 0.52 -0.60 0.86 2.35 -0.29 0.01 115.58 119.10 1cw0 h ASN 93 Ca 0.13 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1cw0 h ASN 93 Cb 0.44 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1cw0 h ASN 93 CO 0.02 0.44 0.39 0.58 -1.65 0.00 0.00 177.43 177.22 1cw0 h VAL 94 N 0.55 1.16 -0.62 2.81 2.07 -0.83 0.52 116.25 121.91 1cw0 h VAL 94 Ca 0.15 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1cw0 h VAL 94 Cb 0.04 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1cw0 h VAL 94 CO -0.03 0.15 0.04 -0.08 0.02 0.00 0.00 177.57 177.67 1cw0 h GLU 95 N 0.81 1.06 -0.46 1.57 4.81 -1.04 -2.44 114.58 118.89 1cw0 h GLU 95 Ca 0.22 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1cw0 h GLU 95 Cb -0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1cw0 h GLU 95 CO -0.05 1.01 -0.12 -0.09 -0.73 0.00 0.00 179.01 179.04 1cw0 h ARG 96 N 0.98 0.89 -0.63 1.92 2.43 -0.60 -2.44 114.38 116.93 1cw0 h ARG 96 Ca 0.18 -0.35 0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1cw0 h ARG 96 Cb 0.51 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 1cw0 h ARG 96 CO 0.02 0.99 0.28 -0.44 -1.51 0.00 0.00 179.97 179.32 1cw0 h ASP 97 N 0.73 0.33 -0.21 -3.80 3.32 -0.75 0.21 116.42 116.26 1cw0 h ASP 97 Ca 0.12 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1cw0 h ASP 97 Cb 0.67 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1cw0 h ASP 97 CO 0.05 0.20 0.11 0.03 -1.72 0.00 0.00 179.24 177.90 1cw0 h ARG 98 N 0.49 0.30 -0.62 3.56 3.08 -1.27 -2.08 114.38 117.85 1cw0 h ARG 98 Ca 0.31 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1cw0 h ARG 98 Cb 0.34 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1cw0 h ARG 98 CO -0.27 0.30 0.33 -0.09 -1.07 0.00 0.00 179.97 179.17 1cw0 h ARG 99 N 0.23 0.86 -0.43 0.04 2.43 -0.89 -2.03 114.38 114.59 1cw0 h ARG 99 Ca 0.07 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1cw0 h ARG 99 Cb 0.09 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1cw0 h ARG 99 CO -0.01 0.66 0.24 -0.44 -1.51 0.00 0.00 179.97 178.91 1cw0 h ASP 100 N 0.84 0.38 -0.41 -3.80 3.32 -0.45 -0.66 116.42 115.64 1cw0 h ASP 100 Ca 0.22 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1cw0 h ASP 100 Cb 0.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1cw0 h ASP 100 CO -0.03 0.27 0.26 0.40 -1.72 0.00 0.00 179.24 178.42 1cw0 h ILE 101 N 0.49 1.09 -0.36 0.35 2.04 -1.15 -1.21 117.51 118.75 1cw0 h ILE 101 Ca 0.18 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1cw0 h ILE 101 Cb 0.04 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1cw0 h ILE 101 CO -0.09 0.10 0.21 0.28 0.00 0.00 0.00 178.15 178.64 1cw0 h SER 102 N 0.54 0.34 -0.14 1.72 0.02 -0.91 -1.45 113.55 113.66 1cw0 h SER 102 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1cw0 h SER 102 Cb -0.05 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1cw0 h SER 102 CO -0.04 0.24 0.08 0.03 -1.14 0.00 0.00 176.83 176.00 1cw0 h ARG 103 N 0.43 0.19 -0.70 3.45 3.08 -0.91 -0.86 114.38 119.06 1cw0 h ARG 103 Ca 0.15 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.26 1cw0 h ARG 103 Cb 0.01 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1cw0 h ARG 103 CO -0.07 0.19 0.37 -0.07 -1.07 0.00 0.00 179.97 179.32 1cw0 h LEU 104 N 0.14 0.50 -0.82 3.04 3.38 -1.01 -0.85 115.31 119.69 1cw0 h LEU 104 Ca 0.05 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1cw0 h LEU 104 Cb 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1cw0 h LEU 104 CO -0.01 0.30 0.28 1.56 0.09 0.00 0.00 178.44 180.66 1cw0 h GLN 105 N 0.64 1.16 0.00 1.13 4.20 -0.99 -1.15 115.11 120.10 1cw0 h GLN 105 Ca 0.34 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1cw0 h GLN 105 Cb 0.32 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1cw0 h GLN 105 CO -0.24 0.96 -0.06 0.93 -0.67 0.00 0.00 178.83 179.74 1cw0 h GLU 106 N 1.13 0.00 -0.01 1.46 5.08 0.15 -1.08 114.58 121.30 1cw0 h GLU 106 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1cw0 h GLU 106 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1cw0 h GLU 106 CO -0.02 0.06 -0.06 1.28 -1.00 0.00 0.00 179.01 179.27 1cw0 n LEU 107 N -3.50 1.38 0.00 1.33 4.77 -0.49 -4.93 117.00 115.56 1cw0 n LEU 107 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1cw0 n LEU 107 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1cw0 n LEU 107 CO 0.27 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1cw0 n GLY 108 N 1.22 0.75 3.79 -0.72 0.00 -0.41 -5.07 105.19 104.75 1cw0 n GLY 108 Ca 0.17 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1cw0 n GLY 108 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cw0 s TRP 109 N -2.00 3.48 0.08 1.61 0.52 -0.57 -4.93 118.94 117.13 1cw0 s TRP 109 Ca 0.00 0.41 -0.25 0.00 0.02 0.00 0.00 56.10 56.27 1cw0 s TRP 109 Cb 0.00 -2.05 -0.06 0.00 -1.15 0.00 0.00 33.47 30.21 1cw0 s TRP 109 CO 0.00 0.49 0.78 1.03 0.02 0.00 0.00 176.95 179.28 1cw0 s ARG 110 N -0.30 4.53 -0.09 4.98 0.52 -0.96 -3.77 118.95 123.86 1cw0 s ARG 110 Ca 0.11 1.11 0.02 0.00 -0.52 0.00 0.00 55.73 56.46 1cw0 s ARG 110 Cb -0.12 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 1cw0 s ARG 110 CO 0.01 0.34 -0.16 0.08 0.02 0.00 0.00 175.30 175.59 1cw0 s VAL 111 N -0.29 2.88 -0.11 3.52 1.01 -1.26 -0.91 120.40 125.24 1cw0 s VAL 111 Ca 0.39 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1cw0 s VAL 111 Cb -0.21 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1cw0 s VAL 111 CO 0.24 0.56 -0.20 -0.22 0.00 0.00 0.00 175.10 175.48 1cw0 s LEU 112 N -0.16 1.97 -0.20 3.92 2.96 -0.61 -1.69 118.68 124.88 1cw0 s LEU 112 Ca -0.01 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1cw0 s LEU 112 Cb -0.14 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1cw0 s LEU 112 CO 0.03 0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.56 1cw0 s ILE 113 N 0.65 4.34 -0.32 6.68 -1.09 0.05 -1.05 121.20 130.45 1cw0 s ILE 113 Ca -0.12 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1cw0 s ILE 113 Cb -0.16 -2.96 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 1cw0 s ILE 113 CO 0.03 0.43 0.04 -0.69 -1.23 0.00 0.00 174.94 173.52 1cw0 s VAL 114 N 0.81 3.06 0.38 2.92 1.01 0.85 -0.15 120.40 129.29 1cw0 s VAL 114 Ca 0.02 -1.51 -0.25 0.00 0.00 0.00 0.00 61.98 60.24 1cw0 s VAL 114 Cb -0.14 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 1cw0 s VAL 114 CO 0.02 -0.22 1.10 0.26 0.00 0.00 0.00 175.10 176.26 1cw0 s TRP 115 N 1.23 3.24 0.23 5.22 0.52 -0.69 -0.70 118.94 127.99 1cw0 s TRP 115 Ca -0.02 1.62 -0.07 0.00 0.02 0.00 0.00 56.10 57.65 1cw0 s TRP 115 Cb -0.20 -3.25 0.35 0.00 -1.15 0.00 0.00 33.47 29.22 1cw0 s TRP 115 CO -0.02 -0.86 1.77 1.49 0.02 0.00 0.00 176.95 179.35 1cw0 h GLU 116 N 2.75 0.54 -0.24 4.98 4.81 -1.03 -1.88 114.58 124.50 1cw0 h GLU 116 Ca -0.48 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1cw0 h GLU 116 Cb 1.22 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1cw0 h GLU 116 CO 0.63 0.36 0.26 0.00 -0.73 0.00 0.00 179.01 179.53 1cw0 h ALA 118 N 1.70 0.86 0.02 0.00 0.00 -1.62 -3.04 119.26 117.17 1cw0 h ALA 118 Ca 0.11 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 1cw0 h ALA 118 Cb 0.64 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1cw0 h ALA 118 CO -0.00 0.28 -2.15 1.28 0.00 0.00 0.00 179.25 178.66 1cw0 n LEU 119 N -3.16 1.05 -3.90 0.00 4.77 0.72 -0.93 117.00 115.56 1cw0 n LEU 119 Ca 0.03 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1cw0 n LEU 119 Cb 0.61 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1cw0 n LEU 119 CO 0.37 0.58 -0.15 0.00 -1.33 0.00 0.00 177.39 176.86 1cw0 s ARG 120 N -2.54 0.77 0.00 3.23 1.04 0.16 -4.85 118.95 116.77 1cw0 s ARG 120 Ca -0.14 -0.94 0.00 0.00 -1.04 0.00 0.00 55.73 53.61 1cw0 s ARG 120 Cb 0.07 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.29 1cw0 s ARG 120 CO 0.79 -0.22 0.00 0.41 -0.04 0.00 0.00 175.30 176.23 1cw0 n GLY 121 N 0.13 1.33 0.01 3.88 0.00 -1.26 -4.28 105.19 104.99 1cw0 n GLY 121 Ca -0.16 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.79 1cw0 n GLY 121 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cw0 n ARG 122 N 0.35 0.01 -0.01 1.61 1.85 -1.26 -2.17 116.66 117.04 1cw0 n ARG 122 Ca 0.00 0.40 0.05 0.00 -1.00 0.00 0.00 57.85 57.30 1cw0 n ARG 122 Cb 0.00 -1.53 0.05 0.00 -1.05 0.00 0.00 32.46 29.94 1cw0 n ARG 122 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1cw0 n GLU 123 N -1.55 0.69 -1.66 2.89 -0.58 -1.26 -5.04 120.64 114.13 1cw0 n GLU 123 Ca 0.01 -1.22 -0.42 0.00 -0.42 0.00 0.00 57.16 55.12 1cw0 n GLU 123 Cb 0.08 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1cw0 n GLU 123 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1cw0 n LYS 124 N 0.59 1.72 -1.41 3.49 2.85 -0.92 -4.78 118.16 119.71 1cw0 n LYS 124 Ca 0.07 0.61 -0.31 0.00 -1.05 0.00 0.00 58.31 57.63 1cw0 n LYS 124 Cb 0.28 -2.19 0.07 0.00 -0.65 0.00 0.00 35.03 32.54 1cw0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1cw0 s LEU 125 N -0.89 3.09 0.79 -5.58 1.43 -0.10 -4.98 118.68 112.43 1cw0 s LEU 125 Ca 0.60 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1cw0 s LEU 125 Cb -0.56 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.21 1cw0 s LEU 125 CO 0.59 -1.77 1.10 0.42 0.23 0.00 0.00 176.35 176.91 1cw0 s THR 126 N -2.95 3.11 0.24 5.49 -4.23 -1.26 -4.84 115.64 111.20 1cw0 s THR 126 Ca 0.60 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1cw0 s THR 126 Cb -0.16 -3.13 0.23 0.00 1.34 0.00 0.00 72.50 70.79 1cw0 s THR 126 CO 0.55 -0.47 1.91 0.44 -0.54 0.00 0.00 174.62 176.51 1cw0 h ASP 127 N -1.05 1.06 -0.16 3.99 5.19 -1.98 -0.56 116.42 122.91 1cw0 h ASP 127 Ca -0.47 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1cw0 h ASP 127 Cb 1.27 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1cw0 h ASP 127 CO 0.60 0.75 -0.01 -0.33 -3.12 0.00 0.00 179.24 177.13 1cw0 h GLU 128 N 1.24 0.28 -0.77 3.56 3.07 -1.98 0.22 114.58 120.20 1cw0 h GLU 128 Ca 0.35 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1cw0 h GLU 128 Cb -0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1cw0 h GLU 128 CO -0.09 0.51 0.31 0.00 -1.40 0.00 0.00 179.01 178.34 1cw0 h ALA 129 N 0.76 1.08 0.10 3.43 0.00 -1.86 -1.18 119.26 121.59 1cw0 h ALA 129 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cw0 h ALA 129 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cw0 h ALA 129 CO 0.01 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.79 1cw0 h LEU 130 N 1.12 -0.11 -0.66 0.00 3.38 -1.03 -2.55 115.31 115.45 1cw0 h LEU 130 Ca 0.26 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1cw0 h LEU 130 Cb 0.21 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 1cw0 h LEU 130 CO -0.02 0.34 0.24 0.74 0.09 0.00 0.00 178.44 179.83 1cw0 h THR 131 N -0.60 0.71 -0.23 0.22 2.02 -0.87 0.25 112.91 114.41 1cw0 h THR 131 Ca -0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1cw0 h THR 131 Cb 0.48 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1cw0 h THR 131 CO 0.02 0.07 0.07 -0.08 0.37 0.00 0.00 175.52 175.97 1cw0 h GLU 132 N 0.40 0.37 -0.31 6.66 4.81 -1.24 -1.03 114.58 124.24 1cw0 h GLU 132 Ca 0.35 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1cw0 h GLU 132 Cb 0.48 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1cw0 h GLU 132 CO -0.36 0.47 -0.18 0.00 -0.73 0.00 0.00 179.01 178.21 1cw0 h ARG 133 N 0.21 0.56 0.18 1.92 3.08 -1.02 -1.68 114.38 117.62 1cw0 h ARG 133 Ca 0.07 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1cw0 h ARG 133 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1cw0 h ARG 133 CO -0.00 0.72 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.46 1cw0 h LEU 134 N 0.51 -0.21 -0.66 3.04 3.38 -0.85 -1.59 115.31 118.93 1cw0 h LEU 134 Ca 0.08 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1cw0 h LEU 134 Cb 0.60 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1cw0 h LEU 134 CO 0.04 0.16 0.43 -0.08 0.09 0.00 0.00 178.44 179.09 1cw0 h GLU 135 N -0.61 0.85 -0.54 1.13 4.22 -1.15 0.18 114.58 118.66 1cw0 h GLU 135 Ca -0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 1cw0 h GLU 135 Cb 0.45 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1cw0 h GLU 135 CO 0.04 0.56 0.14 1.49 -2.18 0.00 0.00 179.01 179.06 1cw0 h GLU 136 N 0.88 0.86 -0.06 1.92 4.57 -1.33 -1.10 114.58 120.31 1cw0 h GLU 136 Ca 0.25 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1cw0 h GLU 136 Cb -0.07 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1cw0 h GLU 136 CO -0.07 0.81 -0.09 2.35 -1.18 0.00 0.00 179.01 180.83 1cw0 h TRP 137 N 0.76 0.21 0.29 0.92 7.01 -0.88 -1.37 115.95 122.89 1cw0 h TRP 137 Ca 0.17 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1cw0 h TRP 137 Cb 0.33 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1cw0 h TRP 137 CO 0.02 0.66 -0.14 0.82 -2.79 0.00 0.00 178.44 177.01 1cw0 h ILE 138 N -0.29 0.74 0.00 2.65 2.04 -0.67 -3.06 117.51 118.91 1cw0 h ILE 138 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1cw0 h ILE 138 Cb 0.63 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1cw0 h ILE 138 CO 0.02 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1cw0 n GLY 140 N 0.28 -0.73 0.01 0.00 0.00 -0.52 -5.01 105.19 99.22 1cw0 n GLY 140 Ca 0.01 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.35 1cw0 n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cw0 n GLU 141 N -0.67 2.82 -1.72 1.61 1.02 -1.26 -4.99 120.64 117.46 1cw0 n GLU 141 Ca 0.00 -1.59 -0.41 0.00 -0.02 0.00 0.00 57.16 55.14 1cw0 n GLU 141 Cb 0.00 -1.04 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1cw0 n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw0 n GLY 142 N -0.58 0.71 3.46 0.62 0.00 -1.26 -4.99 105.19 103.15 1cw0 n GLY 142 Ca 0.01 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1cw0 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cw0 s ALA 143 N -1.18 -0.17 0.42 4.61 0.00 -1.26 -4.91 121.76 119.28 1cw0 s ALA 143 Ca 0.60 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 1cw0 s ALA 143 Cb -0.50 -3.01 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1cw0 s ALA 143 CO 0.59 -3.99 0.76 0.43 0.00 0.00 0.00 175.76 173.55 1cw0 n SER 144 N -5.10 0.09 -3.12 0.00 7.64 -1.26 -4.84 113.62 107.02 1cw0 n SER 144 Ca 0.10 0.96 -0.13 0.00 1.01 0.00 0.00 58.87 60.81 1cw0 n SER 144 Cb 0.58 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 1cw0 n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cw0 s ALA 145 N -1.37 0.25 0.01 -0.43 0.00 -0.68 -1.02 121.76 118.51 1cw0 s ALA 145 Ca 0.64 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1cw0 s ALA 145 Cb -0.59 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1cw0 s ALA 145 CO 0.57 -0.86 0.03 1.14 0.00 0.00 0.00 175.76 176.64 1cw0 s GLN 146 N -2.78 0.38 -0.16 0.00 -2.07 0.47 -0.77 119.66 114.72 1cw0 s GLN 146 Ca 0.25 -0.54 0.01 0.00 -1.82 0.00 0.00 55.36 53.27 1cw0 s GLN 146 Cb -0.02 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 32.05 1cw0 s GLN 146 CO 0.17 -0.07 -0.19 0.42 -1.32 0.00 0.00 175.29 174.30 1cw0 s ILE 147 N -1.45 2.22 0.00 3.63 1.01 0.79 -0.80 121.20 126.61 1cw0 s ILE 147 Ca -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1cw0 s ILE 147 Cb -0.09 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1cw0 s ILE 147 CO -0.00 0.53 0.00 -0.90 0.00 0.00 0.00 174.94 174.57 1cw0 n ASP 148 N 4.35 1.66 0.28 3.58 5.68 0.20 -1.71 116.55 130.59 1cw0 n ASP 148 Ca -0.20 -0.25 0.18 0.00 -0.50 0.00 0.00 54.79 54.02 1cw0 n ASP 148 Cb 0.51 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.27 1cw0 n ASP 148 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1cw0 h THR 149 N 0.25 0.00 -0.46 2.12 1.35 -1.87 -2.48 112.91 111.83 1cw0 h THR 149 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1cw0 h THR 149 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1cw0 h THR 149 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1cw0 n GLN 150 N -3.06 3.58 0.00 4.72 1.13 -1.26 -4.94 117.38 117.55 1cw0 n GLN 150 Ca -0.00 -2.28 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 1cw0 n GLN 150 Cb 0.26 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1cw0 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cw0 n GLY 151 N 0.66 -0.52 3.75 1.08 0.00 -0.94 -4.96 105.19 104.26 1cw0 n GLY 151 Ca 0.20 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1cw0 n GLY 151 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1cw0 s ILE 152 N 0.00 4.56 -0.10 -0.61 2.07 -1.26 -0.63 121.20 125.24 1cw0 s ILE 152 Ca 0.00 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 58.68 1cw0 s ILE 152 Cb 0.00 -3.07 0.03 0.00 0.13 0.00 0.00 42.46 39.55 1cw0 s ILE 152 CO 0.00 0.36 0.29 -1.00 -1.91 0.00 0.00 174.94 172.68 1cw0 s HIS 153 N -1.16 -0.29 0.47 3.50 3.76 0.02 -4.98 115.29 116.61 1cw0 s HIS 153 Ca 0.22 0.70 -0.23 0.00 -0.15 0.00 0.00 55.06 55.59 1cw0 s HIS 153 Cb -0.12 0.10 -0.07 0.00 1.11 0.00 0.00 32.58 33.60 1cw0 s HIS 153 CO 0.13 -0.18 1.23 -0.51 -0.85 0.00 0.00 174.74 174.55 1cw0 s LEU 154 N -0.06 4.01 0.23 0.89 1.43 -1.26 -0.39 118.68 123.53 1cw0 s LEU 154 Ca -0.02 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.24 1cw0 s LEU 154 Cb -0.03 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 1cw0 s LEU 154 CO 0.01 -1.05 1.18 -0.76 0.23 0.00 0.00 176.35 175.96 1cw0 s LEU 155 N -3.05 4.48 0.00 1.79 1.43 -0.19 -4.80 118.68 118.34 1cw0 s LEU 155 Ca 0.64 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1cw0 s LEU 155 Cb -0.33 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1cw0 s LEU 155 CO 0.40 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.66