#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cw3 s VAL 8 N 0.00 4.57 0.56 0.00 1.01 -1.26 -5.06 120.40 120.22 1cw3 s VAL 8 Ca 0.00 1.33 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 1cw3 s VAL 8 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1cw3 s VAL 8 CO 0.00 0.35 1.37 -2.84 0.00 0.00 0.00 175.10 173.97 1cw3 s PRO 9 N -1.62 3.05 0.09 2.72 0.02 -1.26 -4.89 135.00 133.11 1cw3 s PRO 9 Ca 0.38 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 63.35 1cw3 s PRO 9 Cb -0.19 -2.21 -0.10 0.00 0.02 0.00 0.00 34.50 32.03 1cw3 s PRO 9 CO 0.22 -1.27 1.81 0.00 -0.33 0.00 0.00 177.00 177.43 1cw3 s ALA 10 N -1.29 3.72 0.44 -1.55 0.00 -1.26 -4.96 121.76 116.85 1cw3 s ALA 10 Ca 0.73 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.84 1cw3 s ALA 10 Cb -0.41 -3.76 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1cw3 s ALA 10 CO 0.48 -1.26 1.04 -1.25 0.00 0.00 0.00 175.76 174.76 1cw3 s PRO 11 N 3.03 3.99 -0.63 0.00 0.04 -1.26 -5.00 135.00 135.17 1cw3 s PRO 11 Ca 0.81 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 1cw3 s PRO 11 Cb -0.44 -2.29 0.08 0.00 0.04 0.00 0.00 34.50 31.89 1cw3 s PRO 11 CO 0.36 -0.28 0.87 1.21 0.04 0.00 0.00 177.00 179.20 1cw3 s ASN 12 N -1.81 6.18 0.00 6.66 3.84 -1.26 -4.90 114.94 123.65 1cw3 s ASN 12 Ca 0.63 -1.12 0.03 0.00 0.21 0.00 0.00 52.86 52.61 1cw3 s ASN 12 Cb -0.18 -2.38 0.18 0.00 -0.55 0.00 0.00 41.25 38.32 1cw3 s ASN 12 CO 0.23 -1.31 0.84 0.00 -2.79 0.00 0.00 177.10 174.06 1cw3 n GLN 13 N 7.20 0.07 -3.09 0.43 6.02 -1.26 -3.29 117.38 123.46 1cw3 n GLN 13 Ca -0.06 0.16 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 1cw3 n GLN 13 Cb 0.44 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 1cw3 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1cw3 n GLN 14 N -1.18 0.92 -1.68 -1.09 6.02 -1.26 -5.01 117.38 114.10 1cw3 n GLN 14 Ca 0.02 -3.04 -0.40 0.00 -0.01 0.00 0.00 57.00 53.58 1cw3 n GLN 14 Cb 0.02 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.82 1cw3 n GLN 14 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1cw3 n PRO 15 N 0.57 1.52 -2.78 -1.09 -0.04 -1.21 -4.96 135.00 127.02 1cw3 n PRO 15 Ca 0.20 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.84 1cw3 n PRO 15 Cb 0.64 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1cw3 n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1cw3 s GLU 16 N -2.49 4.68 -0.16 0.54 2.12 -1.26 -5.04 118.70 117.09 1cw3 s GLU 16 Ca 0.68 1.38 -0.14 0.00 0.36 0.00 0.00 54.97 57.25 1cw3 s GLU 16 Cb -0.47 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1cw3 s GLU 16 CO 0.53 0.37 0.30 0.08 -0.54 0.00 0.00 175.26 175.99 1cw3 s VAL 17 N -1.46 5.30 -0.04 3.70 1.01 -1.26 -4.97 120.40 122.69 1cw3 s VAL 17 Ca 0.47 0.56 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1cw3 s VAL 17 Cb -0.21 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 1cw3 s VAL 17 CO 0.27 0.39 0.11 0.49 0.00 0.00 0.00 175.10 176.36 1cw3 n PHE 18 N 3.53 0.00 -4.19 5.22 3.01 -1.26 -4.99 117.46 118.78 1cw3 n PHE 18 Ca -0.12 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.06 1cw3 n PHE 18 Cb 0.52 -0.25 -0.17 0.00 -0.01 0.00 0.00 39.48 39.57 1cw3 n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cw3 n ASN 20 N 4.52 0.08 -2.02 0.00 6.94 -1.26 -4.71 115.26 118.82 1cw3 n ASN 20 Ca -0.17 -1.78 -0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1cw3 n ASN 20 Cb 0.51 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1cw3 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cw3 n GLN 21 N 0.13 1.95 -3.31 -3.83 6.02 -1.26 -1.09 117.38 115.99 1cw3 n GLN 21 Ca -0.04 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 1cw3 n GLN 21 Cb 0.78 0.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.98 1cw3 n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1cw3 s ILE 22 N -0.92 5.19 -0.42 5.09 1.01 0.09 -4.73 121.20 126.50 1cw3 s ILE 22 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 60.65 61.43 1cw3 s ILE 22 Cb -0.00 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1cw3 s ILE 22 CO 0.00 0.32 0.45 0.12 0.00 0.00 0.00 174.94 175.83 1cw3 s PHE 23 N 0.63 3.17 -0.01 3.97 5.36 0.03 -0.81 117.98 130.32 1cw3 s PHE 23 Ca 0.26 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1cw3 s PHE 23 Cb -0.15 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.63 1cw3 s PHE 23 CO 0.10 -0.69 0.02 0.42 -1.46 0.00 0.00 175.22 173.61 1cw3 s ILE 24 N 2.18 -0.02 -1.67 3.12 1.01 -0.49 -0.84 121.20 124.49 1cw3 s ILE 24 Ca 0.13 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 1cw3 s ILE 24 Cb -0.17 -0.05 0.15 0.00 0.01 0.00 0.00 42.46 42.40 1cw3 s ILE 24 CO 0.14 0.03 0.83 0.59 0.00 0.00 0.00 174.94 176.53 1cw3 n ASN 25 N 3.51 -3.67 -1.45 3.58 3.02 -1.26 -0.57 115.26 118.41 1cw3 n ASN 25 Ca -0.18 -0.95 -0.17 0.00 -0.03 0.00 0.00 54.58 53.24 1cw3 n ASN 25 Cb 0.56 -2.98 -0.06 0.00 -0.61 0.00 0.00 39.78 36.68 1cw3 n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cw3 n ASN 26 N -2.68 -5.10 -4.31 6.41 5.03 -1.26 -4.59 115.26 108.76 1cw3 n ASN 26 Ca 0.07 0.35 -0.20 0.00 0.87 0.00 0.00 54.58 55.68 1cw3 n ASN 26 Cb 0.50 -4.15 -0.11 0.00 -1.02 0.00 0.00 39.78 35.00 1cw3 n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cw3 s GLU 27 N -3.73 1.21 -0.19 3.52 2.02 0.26 -5.02 118.70 116.78 1cw3 s GLU 27 Ca 0.00 -1.41 -0.12 0.00 0.02 0.00 0.00 54.97 53.46 1cw3 s GLU 27 Cb 0.00 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.05 1cw3 s GLU 27 CO 0.00 0.22 0.23 -1.58 0.02 0.00 0.00 175.26 174.15 1cw3 s TRP 28 N -2.35 3.42 0.10 1.61 0.52 -1.26 -1.40 118.94 119.57 1cw3 s TRP 28 Ca 0.16 0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.78 1cw3 s TRP 28 Cb -0.04 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1cw3 s TRP 28 CO 0.05 0.21 -0.12 -1.01 0.02 0.00 0.00 176.95 176.10 1cw3 s HIS 29 N 0.60 1.20 0.43 -1.98 3.76 0.01 -4.93 115.29 114.38 1cw3 s HIS 29 Ca 0.13 -0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1cw3 s HIS 29 Cb -0.13 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.87 1cw3 s HIS 29 CO 0.02 0.06 0.72 -0.51 -0.85 0.00 0.00 174.74 174.18 1cw3 s ASP 30 N -2.21 6.32 0.56 1.40 -0.00 -1.26 -0.74 116.67 120.74 1cw3 s ASP 30 Ca 0.04 0.85 -0.21 0.00 -0.00 0.00 0.00 52.55 53.22 1cw3 s ASP 30 Cb -0.06 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.61 1cw3 s ASP 30 CO 0.02 -0.47 1.37 0.00 -0.00 0.00 0.00 175.17 176.09 1cw3 s ALA 31 N -2.55 2.79 0.42 5.23 0.00 -1.26 -4.82 121.76 121.56 1cw3 s ALA 31 Ca 0.46 1.36 0.17 0.00 0.00 0.00 0.00 51.96 53.95 1cw3 s ALA 31 Cb -0.10 -3.58 1.07 0.00 0.00 0.00 0.00 23.12 20.51 1cw3 s ALA 31 CO 0.40 -1.44 1.86 0.28 0.00 0.00 0.00 175.76 176.86 1cw3 h VAL 32 N 1.38 0.68 0.00 0.00 2.07 -1.95 0.47 116.25 118.90 1cw3 h VAL 32 Ca -0.51 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1cw3 h VAL 32 Cb 1.31 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1cw3 h VAL 32 CO 0.57 0.08 0.00 0.77 0.02 0.00 0.00 177.57 179.00 1cw3 h SER 33 N 0.42 0.00 0.00 0.57 4.64 -1.90 -3.46 113.55 113.81 1cw3 h SER 33 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1cw3 h SER 33 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1cw3 h SER 33 CO -0.18 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.32 1cw3 n ARG 34 N -2.50 0.00 -1.96 4.77 5.12 0.16 -4.99 116.66 117.27 1cw3 n ARG 34 Ca 0.04 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.62 1cw3 n ARG 34 Cb 0.40 -2.89 0.03 0.00 -1.16 0.00 0.00 32.46 28.84 1cw3 n ARG 34 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1cw3 s LYS 35 N -0.20 2.99 0.10 5.56 1.02 -1.26 -4.82 119.74 123.13 1cw3 s LYS 35 Ca 0.00 1.54 -0.00 0.00 0.02 0.00 0.00 55.97 57.52 1cw3 s LYS 35 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1cw3 s LYS 35 CO 0.00 -1.12 -0.01 0.95 -0.92 0.00 0.00 175.35 174.25 1cw3 s THR 36 N -2.03 0.33 0.01 2.17 -4.23 -1.26 -1.43 115.64 109.19 1cw3 s THR 36 Ca 0.71 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1cw3 s THR 36 Cb -0.23 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1cw3 s THR 36 CO 0.35 -0.74 -0.06 0.72 -0.54 0.00 0.00 174.62 174.35 1cw3 s PHE 37 N -3.87 0.51 0.33 3.99 -0.12 0.37 -4.77 117.98 114.41 1cw3 s PHE 37 Ca 0.15 -0.19 -0.25 0.00 -0.05 0.00 0.00 56.93 56.60 1cw3 s PHE 37 Cb 0.07 -0.32 -0.10 0.00 -0.63 0.00 0.00 43.02 42.04 1cw3 s PHE 37 CO -0.04 -0.03 0.93 -1.25 -0.05 0.00 0.00 175.22 174.78 1cw3 s PRO 38 N -0.48 4.51 -0.17 1.99 0.04 -1.26 -0.60 135.00 139.02 1cw3 s PRO 38 Ca -0.01 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 1cw3 s PRO 38 Cb -0.04 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1cw3 s PRO 38 CO -0.00 0.25 -0.07 -0.08 0.04 0.00 0.00 177.00 177.14 1cw3 s THR 39 N -1.68 3.37 0.17 1.26 -1.32 -0.77 -4.94 115.64 111.74 1cw3 s THR 39 Ca 0.51 -0.52 -0.05 0.00 -1.21 0.00 0.00 61.69 60.42 1cw3 s THR 39 Cb -0.17 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.28 1cw3 s THR 39 CO 0.22 0.48 0.41 -0.69 -2.21 0.00 0.00 174.62 172.83 1cw3 s VAL 40 N 0.81 5.14 -0.45 5.08 1.01 -1.26 -1.00 120.40 129.73 1cw3 s VAL 40 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1cw3 s VAL 40 Cb -0.15 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1cw3 s VAL 40 CO 0.01 -0.04 0.59 0.21 0.00 0.00 0.00 175.10 175.88 1cw3 s ASN 41 N -2.60 6.27 0.55 3.32 3.04 -0.12 -4.74 114.94 120.66 1cw3 s ASN 41 Ca 0.42 -0.55 0.37 0.00 0.04 0.00 0.00 52.86 53.14 1cw3 s ASN 41 Cb -0.12 -2.29 1.90 0.00 -1.54 0.00 0.00 41.25 39.20 1cw3 s ASN 41 CO 0.25 -0.76 2.12 1.55 -3.04 0.00 0.00 177.10 177.22 1cw3 h PRO 42 N 8.87 0.00 0.00 0.43 0.13 -1.77 0.69 132.00 140.36 1cw3 h PRO 42 Ca -0.26 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.69 1cw3 h PRO 42 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1cw3 h PRO 42 CO 0.89 0.00 -0.82 0.77 -0.23 0.00 0.00 178.00 178.60 1cw3 h SER 43 N 0.00 0.07 0.00 1.44 0.02 -1.88 -2.06 113.55 111.14 1cw3 h SER 43 Ca 0.00 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1cw3 h SER 43 Cb 0.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1cw3 h SER 43 CO 0.00 0.86 -1.28 0.35 -1.14 0.00 0.00 176.83 175.62 1cw3 n THR 44 N -3.60 0.12 -0.93 -2.27 -2.24 -0.97 -3.78 114.28 100.60 1cw3 n THR 44 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1cw3 n THR 44 Cb 0.78 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1cw3 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 45 N 2.36 0.87 3.86 3.38 0.00 0.24 -4.33 105.19 111.57 1cw3 n GLY 45 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1cw3 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cw3 s GLU 46 N -0.07 3.88 0.18 1.61 0.41 -1.23 -4.78 118.70 118.70 1cw3 s GLU 46 Ca 0.00 0.47 -0.30 0.00 -0.41 0.00 0.00 54.97 54.73 1cw3 s GLU 46 Cb 0.00 -2.51 -0.08 0.00 -1.78 0.00 0.00 34.13 29.76 1cw3 s GLU 46 CO 0.00 0.18 1.17 0.08 -0.49 0.00 0.00 175.26 176.20 1cw3 s VAL 47 N -1.99 3.69 -0.15 2.63 1.01 -1.26 -0.95 120.40 123.38 1cw3 s VAL 47 Ca 0.51 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.74 1cw3 s VAL 47 Cb -0.11 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.23 1cw3 s VAL 47 CO 0.21 0.23 0.23 0.40 0.00 0.00 0.00 175.10 176.17 1cw3 h ILE 48 N 3.79 0.76 -2.57 2.22 2.04 -1.39 -3.46 117.51 118.90 1cw3 h ILE 48 Ca -0.44 -1.73 0.16 0.00 1.00 0.00 0.00 64.86 63.85 1cw3 h ILE 48 Cb 1.21 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1cw3 h ILE 48 CO 0.74 0.26 0.60 0.00 0.00 0.00 0.00 178.15 179.75 1cw3 s GLN 50 N -2.06 3.40 0.04 0.00 -1.52 -1.26 -1.84 119.66 116.42 1cw3 s GLN 50 Ca 0.23 -0.50 0.04 0.00 -1.95 0.00 0.00 55.36 53.18 1cw3 s GLN 50 Cb -0.03 -3.00 -0.02 0.00 -0.22 0.00 0.00 33.01 29.74 1cw3 s GLN 50 CO 0.06 0.58 -0.11 0.08 -0.25 0.00 0.00 175.29 175.65 1cw3 s VAL 51 N -1.57 0.83 0.13 1.09 1.01 0.23 -4.87 120.40 117.25 1cw3 s VAL 51 Ca 0.35 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1cw3 s VAL 51 Cb -0.12 -0.79 -0.12 0.00 0.00 0.00 0.00 36.38 35.35 1cw3 s VAL 51 CO 0.28 -0.14 1.77 0.00 0.00 0.00 0.00 175.10 177.01 1cw3 n ALA 52 N 1.82 2.06 -3.05 5.51 0.00 -0.25 -0.48 120.51 126.14 1cw3 n ALA 52 Ca -0.19 0.35 -0.45 0.00 0.00 0.00 0.00 53.44 53.15 1cw3 n ALA 52 Cb 0.55 -2.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1cw3 n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cw3 s GLU 53 N 2.18 3.60 0.61 0.00 2.12 -0.52 -4.36 118.70 122.33 1cw3 s GLU 53 Ca 0.81 -1.97 -0.17 0.00 0.36 0.00 0.00 54.97 53.99 1cw3 s GLU 53 Cb -0.54 -4.77 -0.02 0.00 0.26 0.00 0.00 34.13 29.06 1cw3 s GLU 53 CO 0.38 -1.63 1.15 0.20 -0.54 0.00 0.00 175.26 174.82 1cw3 s GLY 54 N 3.18 2.47 0.00 -1.50 0.00 0.40 -4.76 107.32 107.11 1cw3 s GLY 54 Ca 0.28 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1cw3 s GLY 54 CO -0.09 1.14 0.00 1.34 0.00 0.00 0.00 173.10 175.49 1cw3 n ASP 55 N -1.87 0.00 -0.24 1.64 -0.08 -1.26 -4.27 116.55 110.46 1cw3 n ASP 55 Ca 0.12 -0.85 0.01 0.00 -1.51 0.00 0.00 54.79 52.56 1cw3 n ASP 55 Cb 0.51 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.06 1cw3 n ASP 55 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1cw3 h LYS 56 N 0.00 0.02 -0.55 -0.67 3.64 -1.91 -0.65 116.57 116.45 1cw3 h LYS 56 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1cw3 h LYS 56 Cb 0.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1cw3 h LYS 56 CO 0.00 0.01 0.25 0.93 -2.27 0.00 0.00 179.45 178.37 1cw3 h GLU 57 N 0.02 0.78 -0.23 1.90 5.08 -1.97 0.32 114.58 120.47 1cw3 h GLU 57 Ca 0.35 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1cw3 h GLU 57 Cb 0.54 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1cw3 h GLU 57 CO -0.70 0.62 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.16 1cw3 h ASP 58 N 0.78 0.69 -0.56 1.42 3.32 -1.59 -2.51 116.42 117.96 1cw3 h ASP 58 Ca 0.19 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1cw3 h ASP 58 Cb 0.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1cw3 h ASP 58 CO -0.02 1.06 0.25 0.58 -1.72 0.00 0.00 179.24 179.39 1cw3 h VAL 59 N 0.33 1.21 -0.41 -1.35 2.07 -0.79 -1.43 116.25 115.88 1cw3 h VAL 59 Ca 0.03 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1cw3 h VAL 59 Cb 0.90 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1cw3 h VAL 59 CO 0.08 0.26 0.06 0.44 0.02 0.00 0.00 177.57 178.43 1cw3 h ASP 60 N 0.86 0.58 -0.16 0.57 3.32 -0.80 0.83 116.42 121.61 1cw3 h ASP 60 Ca 0.21 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1cw3 h ASP 60 Cb 0.15 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1cw3 h ASP 60 CO -0.02 0.61 -0.15 0.11 -1.72 0.00 0.00 179.24 178.07 1cw3 h LYS 61 N 0.61 0.38 -0.54 3.56 1.57 -0.92 -2.64 116.57 118.59 1cw3 h LYS 61 Ca 0.13 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1cw3 h LYS 61 Cb 0.29 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1cw3 h LYS 61 CO 0.00 0.75 0.32 0.00 -0.57 0.00 0.00 179.45 179.95 1cw3 h ALA 62 N 0.63 0.69 -0.71 3.86 0.00 -0.82 -1.52 119.26 121.39 1cw3 h ALA 62 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 62 Cb 0.68 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1cw3 h ALA 62 CO 0.04 0.18 0.26 0.28 0.00 0.00 0.00 179.25 180.02 1cw3 h VAL 63 N 0.72 1.24 -0.57 0.00 2.07 -0.89 -0.21 116.25 118.62 1cw3 h VAL 63 Ca 0.19 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1cw3 h VAL 63 Cb 0.01 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1cw3 h VAL 63 CO -0.03 0.32 0.18 0.11 0.02 0.00 0.00 177.57 178.17 1cw3 h LYS 64 N 1.03 0.88 -0.30 1.57 1.57 -1.08 0.19 116.57 120.43 1cw3 h LYS 64 Ca 0.24 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1cw3 h LYS 64 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1cw3 h LYS 64 CO -0.02 0.79 0.11 0.00 -0.57 0.00 0.00 179.45 179.76 1cw3 h ALA 65 N 1.05 0.39 0.20 3.86 0.00 -0.79 -0.63 119.26 123.34 1cw3 h ALA 65 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 65 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1cw3 h ALA 65 CO -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 179.25 179.15 1cw3 h ALA 66 N 0.94 -0.28 -0.81 0.00 0.00 -0.92 -1.08 119.26 117.11 1cw3 h ALA 66 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1cw3 h ALA 66 Cb 0.22 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1cw3 h ALA 66 CO -0.01 -0.66 0.43 -0.09 0.00 0.00 0.00 179.25 178.92 1cw3 h ARG 67 N -0.29 0.65 -0.33 0.00 9.65 -0.82 -1.14 114.38 122.11 1cw3 h ARG 67 Ca -0.02 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1cw3 h ARG 67 Cb 0.23 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1cw3 h ARG 67 CO 0.03 0.43 0.17 0.00 2.80 0.00 0.00 179.97 183.40 1cw3 h ALA 68 N 1.49 0.42 0.00 2.80 0.00 -0.71 -2.18 119.26 121.09 1cw3 h ALA 68 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1cw3 h ALA 68 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cw3 h ALA 68 CO -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1cw3 h ALA 69 N 1.02 1.00 -0.10 0.00 0.00 -0.25 -2.26 119.26 118.67 1cw3 h ALA 69 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cw3 h ALA 69 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cw3 h ALA 69 CO -0.02 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.57 1cw3 n PHE 70 N -2.54 0.11 -2.14 0.00 7.35 -0.53 -4.43 117.46 115.29 1cw3 n PHE 70 Ca 0.01 -0.06 -0.41 0.00 -0.76 0.00 0.00 57.45 56.23 1cw3 n PHE 70 Cb 0.21 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 1cw3 n PHE 70 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1cw3 s GLN 71 N -1.89 4.36 0.12 -4.13 -1.52 -0.85 -4.91 119.66 110.85 1cw3 s GLN 71 Ca 0.34 2.17 -0.35 0.00 -1.95 0.00 0.00 55.36 55.57 1cw3 s GLN 71 Cb 0.20 -3.12 -0.15 0.00 -0.22 0.00 0.00 33.01 29.72 1cw3 s GLN 71 CO 0.31 -0.24 1.45 -0.11 -0.25 0.00 0.00 175.29 176.45 1cw3 n LEU 72 N 1.66 2.33 0.00 2.90 7.94 -1.26 -0.78 117.00 129.79 1cw3 n LEU 72 Ca 0.03 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1cw3 n LEU 72 Cb 0.42 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1cw3 n LEU 72 CO 0.59 -0.70 0.00 0.61 -1.11 0.00 0.00 177.39 176.78 1cw3 n GLY 73 N 2.91 0.94 3.81 -3.96 0.00 -1.26 -5.06 105.19 102.57 1cw3 n GLY 73 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1cw3 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 74 N -2.83 4.85 0.22 1.61 1.04 0.04 -4.77 113.70 113.85 1cw3 s SER 74 Ca 0.00 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 57.80 1cw3 s SER 74 Cb 0.00 -2.24 0.34 0.00 0.10 0.00 0.00 66.02 64.22 1cw3 s SER 74 CO 0.00 -1.76 1.70 -0.65 0.98 0.00 0.00 173.24 173.50 1cw3 h PRO 75 N -0.94 0.25 -0.52 4.02 0.11 -1.88 -0.47 132.00 132.56 1cw3 h PRO 75 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1cw3 h PRO 75 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1cw3 h PRO 75 CO 0.58 0.16 0.01 2.35 -0.21 0.00 0.00 178.00 180.89 1cw3 h TRP 76 N 0.26 0.94 0.00 0.65 2.91 -1.93 0.59 115.95 119.37 1cw3 h TRP 76 Ca 0.34 -0.14 -0.18 0.00 1.13 0.00 0.00 58.89 60.04 1cw3 h TRP 76 Cb 0.54 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 1cw3 h TRP 76 CO -0.26 0.85 -0.85 0.00 -1.03 0.00 0.00 178.44 177.14 1cw3 h ARG 77 N 0.81 0.09 0.00 2.65 2.47 -1.61 -3.27 114.38 115.53 1cw3 h ARG 77 Ca 0.16 -0.10 -0.16 0.00 -1.26 0.00 0.00 59.98 58.61 1cw3 h ARG 77 Cb 0.47 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1cw3 h ARG 77 CO 0.02 0.88 -1.05 0.00 0.56 0.00 0.00 179.97 180.39 1cw3 h ARG 78 N 0.05 0.00 -6.42 0.04 3.08 -1.00 -3.47 114.38 106.65 1cw3 h ARG 78 Ca -0.03 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.41 1cw3 h ARG 78 Cb 1.49 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.64 1cw3 h ARG 78 CO 0.12 0.49 0.10 -0.12 -1.07 0.00 0.00 179.97 179.49 1cw3 n MET 79 N -3.09 1.23 -2.09 0.04 1.56 0.19 -4.90 117.12 110.06 1cw3 n MET 79 Ca -0.05 0.43 -0.40 0.00 -0.27 0.00 0.00 57.70 57.42 1cw3 n MET 79 Cb 0.84 -1.79 -0.01 0.00 2.15 0.00 0.00 33.22 34.40 1cw3 n MET 79 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1cw3 s ASP 80 N -0.52 6.56 0.36 6.12 1.01 -1.26 -4.91 116.67 124.03 1cw3 s ASP 80 Ca 0.61 2.67 0.06 0.00 0.71 0.00 0.00 52.55 56.59 1cw3 s ASP 80 Cb -0.73 -2.64 0.73 0.00 1.01 0.00 0.00 42.92 41.29 1cw3 s ASP 80 CO 0.59 -0.68 1.96 0.00 0.21 0.00 0.00 175.17 177.25 1cw3 h ALA 81 N 3.04 1.69 -0.54 5.23 0.00 -1.90 -0.78 119.26 126.00 1cw3 h ALA 81 Ca -0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1cw3 h ALA 81 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1cw3 h ALA 81 CO 0.64 0.20 0.17 0.66 0.00 0.00 0.00 179.25 180.92 1cw3 h SER 82 N 0.76 0.75 0.20 0.00 4.64 -1.91 -2.27 113.55 115.72 1cw3 h SER 82 Ca 0.30 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1cw3 h SER 82 Cb 0.23 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1cw3 h SER 82 CO -0.10 0.71 -0.35 -0.74 -0.87 0.00 0.00 176.83 175.48 1cw3 h HIS 83 N 0.79 0.26 -0.80 4.77 6.17 -1.52 -1.10 115.15 123.72 1cw3 h HIS 83 Ca 0.18 -0.06 0.02 0.00 0.71 0.00 0.00 60.37 61.22 1cw3 h HIS 83 Cb 0.24 -0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.07 1cw3 h HIS 83 CO 0.01 0.55 0.53 0.00 0.71 0.00 0.00 177.93 179.74 1cw3 h ARG 84 N 0.19 1.03 -0.34 5.26 3.08 -1.00 0.15 114.38 122.75 1cw3 h ARG 84 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1cw3 h ARG 84 Cb 0.72 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1cw3 h ARG 84 CO 0.05 0.68 0.11 0.78 -1.07 0.00 0.00 179.97 180.53 1cw3 h GLY 85 N 1.06 0.57 0.67 0.04 0.00 -1.04 -0.92 103.07 103.45 1cw3 h GLY 85 Ca 0.30 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1cw3 h GLY 85 CO -0.07 0.31 0.02 3.21 0.00 0.00 0.00 176.54 180.00 1cw3 h ARG 86 N 0.40 0.09 -0.76 4.80 2.47 -0.25 -0.41 114.38 120.72 1cw3 h ARG 86 Ca 0.11 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1cw3 h ARG 86 Cb 0.24 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1cw3 h ARG 86 CO -0.00 0.06 0.49 -0.07 0.56 0.00 0.00 179.97 181.01 1cw3 h LEU 87 N 0.10 0.83 -0.81 3.04 3.38 -0.50 0.19 115.31 121.53 1cw3 h LEU 87 Ca 0.11 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1cw3 h LEU 87 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1cw3 h LEU 87 CO -0.17 0.58 -0.07 -0.07 0.09 0.00 0.00 178.44 178.79 1cw3 h LEU 88 N 0.98 0.80 -1.01 1.67 3.38 -0.67 0.13 115.31 120.58 1cw3 h LEU 88 Ca 0.29 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1cw3 h LEU 88 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1cw3 h LEU 88 CO -0.09 0.91 -0.46 0.78 0.09 0.00 0.00 178.44 179.68 1cw3 h ASN 89 N 0.75 0.00 -0.06 -0.43 2.35 -0.65 -1.93 115.58 115.61 1cw3 h ASN 89 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1cw3 h ASN 89 Cb 0.56 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1cw3 h ASN 89 CO 0.03 0.46 -0.55 -0.09 -1.65 0.00 0.00 177.43 175.63 1cw3 h ARG 90 N 0.00 0.48 -0.69 0.81 2.43 -0.30 -2.36 114.38 114.75 1cw3 h ARG 90 Ca -0.00 -0.44 0.08 0.00 -0.81 0.00 0.00 59.98 58.81 1cw3 h ARG 90 Cb 0.87 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1cw3 h ARG 90 CO 0.06 1.08 0.36 1.25 -1.51 0.00 0.00 179.97 181.20 1cw3 h LEU 91 N 0.04 0.49 -1.11 3.80 5.85 -0.86 -1.02 115.31 122.50 1cw3 h LEU 91 Ca -0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1cw3 h LEU 91 Cb 1.22 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1cw3 h LEU 91 CO 0.11 0.30 0.60 0.00 -0.34 0.00 0.00 178.44 179.11 1cw3 h ALA 92 N 1.39 1.35 -0.49 1.25 0.00 -1.29 -1.30 119.26 120.17 1cw3 h ALA 92 Ca 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1cw3 h ALA 92 Cb 0.29 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1cw3 h ALA 92 CO -0.23 0.60 0.02 -0.44 0.00 0.00 0.00 179.25 179.20 1cw3 h ASP 93 N 1.23 0.84 -0.48 0.00 3.32 -0.67 -1.38 116.42 119.27 1cw3 h ASP 93 Ca 0.33 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1cw3 h ASP 93 Cb -0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1cw3 h ASP 93 CO -0.07 0.93 0.25 -0.07 -1.72 0.00 0.00 179.24 178.55 1cw3 h LEU 94 N 0.72 0.62 -0.80 1.55 3.38 -0.86 0.91 115.31 120.83 1cw3 h LEU 94 Ca 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cw3 h LEU 94 Cb 0.48 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1cw3 h LEU 94 CO 0.02 0.56 0.49 0.40 0.09 0.00 0.00 178.44 180.00 1cw3 h ILE 95 N 0.64 1.22 -0.35 1.22 2.04 -1.10 -0.67 117.51 120.52 1cw3 h ILE 95 Ca 0.17 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1cw3 h ILE 95 Cb 0.09 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1cw3 h ILE 95 CO -0.02 0.23 -0.23 -0.08 0.00 0.00 0.00 178.15 178.05 1cw3 h GLU 96 N 1.10 0.68 -0.22 2.37 4.81 -0.85 0.49 114.58 122.94 1cw3 h GLU 96 Ca 0.29 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1cw3 h GLU 96 Cb -0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1cw3 h GLU 96 CO -0.06 0.85 0.11 -0.09 -0.73 0.00 0.00 179.01 179.09 1cw3 h ARG 97 N 0.59 0.22 -0.82 1.92 2.43 -0.08 -2.53 114.38 116.11 1cw3 h ARG 97 Ca 0.08 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 1cw3 h ARG 97 Cb 0.71 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.09 1cw3 h ARG 97 CO 0.05 0.15 0.24 -0.25 -1.51 0.00 0.00 179.97 178.65 1cw3 n ASP 98 N -5.00 4.22 -0.16 -3.80 8.00 -0.33 -4.58 116.55 114.91 1cw3 n ASP 98 Ca -0.02 -2.98 -0.03 0.00 0.71 0.00 0.00 54.79 52.46 1cw3 n ASP 98 Cb 0.06 -0.70 0.06 0.00 -0.02 0.00 0.00 41.12 40.52 1cw3 n ASP 98 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1cw3 h ARG 99 N 2.07 0.31 -0.65 -1.24 2.43 -0.45 -0.31 114.38 116.54 1cw3 h ARG 99 Ca 0.23 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1cw3 h ARG 99 Cb 2.05 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.50 1cw3 h ARG 99 CO 0.61 0.21 0.20 1.15 -1.51 0.00 0.00 179.97 180.63 1cw3 h THR 100 N 0.32 1.25 0.01 0.20 2.02 -1.83 0.04 112.91 114.92 1cw3 h THR 100 Ca 0.24 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1cw3 h THR 100 Cb 0.27 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1cw3 h THR 100 CO -0.26 0.33 -0.00 0.22 0.37 0.00 0.00 175.52 176.17 1cw3 h TYR 101 N 0.93 -0.01 -0.37 3.16 3.20 -1.79 -2.51 116.97 119.58 1cw3 h TYR 101 Ca 0.21 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1cw3 h TYR 101 Cb 0.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1cw3 h TYR 101 CO 0.02 0.36 0.07 -0.07 -1.64 0.00 0.00 178.16 176.91 1cw3 h LEU 102 N -0.39 0.50 -0.66 2.82 3.38 -1.03 -0.78 115.31 119.15 1cw3 h LEU 102 Ca -0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1cw3 h LEU 102 Cb 0.38 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1cw3 h LEU 102 CO 0.00 0.52 0.06 0.00 0.09 0.00 0.00 178.44 179.11 1cw3 h ALA 103 N 1.56 0.87 -0.05 1.53 0.00 -0.96 -0.53 119.26 121.67 1cw3 h ALA 103 Ca 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1cw3 h ALA 103 Cb 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1cw3 h ALA 103 CO -0.00 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1cw3 h ALA 104 N 1.03 0.08 -0.46 0.00 0.00 -0.97 -2.90 119.26 116.04 1cw3 h ALA 104 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cw3 h ALA 104 Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1cw3 h ALA 104 CO 0.02 -0.18 0.24 1.25 0.00 0.00 0.00 179.25 180.58 1cw3 h LEU 105 N -0.27 0.55 -0.82 0.00 5.85 -1.05 -0.62 115.31 118.95 1cw3 h LEU 105 Ca 0.01 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1cw3 h LEU 105 Cb 0.46 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1cw3 h LEU 105 CO 0.01 0.46 0.16 -0.08 -0.34 0.00 0.00 178.44 178.65 1cw3 h GLU 106 N 0.63 1.05 -0.20 1.25 4.57 -1.06 -1.91 114.58 118.91 1cw3 h GLU 106 Ca 0.16 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 1cw3 h GLU 106 Cb 0.03 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1cw3 h GLU 106 CO -0.03 0.93 -0.36 1.15 -1.18 0.00 0.00 179.01 179.52 1cw3 h THR 107 N 1.00 1.33 -0.82 0.32 2.02 -1.11 0.05 112.91 115.70 1cw3 h THR 107 Ca 0.21 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.82 1cw3 h THR 107 Cb 0.35 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1cw3 h THR 107 CO 0.00 0.49 0.53 0.25 0.37 0.00 0.00 175.52 177.16 1cw3 h LEU 108 N 0.27 0.91 0.02 2.58 5.85 -0.99 0.26 115.31 124.21 1cw3 h LEU 108 Ca 0.01 -0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 1cw3 h LEU 108 Cb 0.95 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1cw3 h LEU 108 CO 0.08 0.65 -1.49 -0.78 -0.34 0.00 0.00 178.44 176.56 1cw3 h ASP 109 N 1.08 0.07 0.01 1.25 3.58 -1.39 -3.39 116.42 117.63 1cw3 h ASP 109 Ca 0.31 -0.12 -0.39 0.00 0.42 0.00 0.00 57.03 57.25 1cw3 h ASP 109 Cb -0.08 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 40.88 1cw3 h ASP 109 CO -0.08 1.10 -2.44 -3.20 -2.88 0.00 0.00 179.24 171.75 1cw3 n ASN 110 N -3.21 1.75 0.00 2.28 2.85 0.00 -4.61 115.26 114.33 1cw3 n ASN 110 Ca -0.13 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 1cw3 n ASN 110 Cb 1.02 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.77 1cw3 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cw3 n GLY 111 N 2.18 2.57 3.72 8.20 0.00 0.92 -4.23 105.19 118.55 1cw3 n GLY 111 Ca -0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1cw3 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cw3 s LYS 112 N -0.71 2.05 0.28 1.61 -2.85 -1.26 -3.84 119.74 115.03 1cw3 s LYS 112 Ca 0.00 1.64 -0.30 0.00 -1.00 0.00 0.00 55.97 56.31 1cw3 s LYS 112 Cb 0.00 -1.84 -0.11 0.00 -2.06 0.00 0.00 37.83 33.83 1cw3 s LYS 112 CO 0.00 -1.87 1.51 -2.14 0.10 0.00 0.00 175.35 172.95 1cw3 s PRO 113 N -4.12 4.19 0.28 1.78 0.02 -1.26 -4.54 135.00 131.35 1cw3 s PRO 113 Ca 0.71 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.21 1cw3 s PRO 113 Cb -0.26 -3.05 0.61 0.00 0.02 0.00 0.00 34.50 31.81 1cw3 s PRO 113 CO 0.47 -0.52 1.80 -0.92 -0.33 0.00 0.00 177.00 177.51 1cw3 h TYR 114 N 4.69 1.06 -0.55 6.54 3.20 -1.36 0.38 116.97 130.93 1cw3 h TYR 114 Ca -0.47 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.46 1cw3 h TYR 114 Cb 1.22 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1cw3 h TYR 114 CO 0.59 0.34 0.36 0.28 -1.64 0.00 0.00 178.16 178.09 1cw3 h VAL 115 N 0.86 1.09 0.18 1.81 2.07 -1.91 -0.00 116.25 120.34 1cw3 h VAL 115 Ca 0.52 -0.23 -0.31 0.00 0.82 0.00 0.00 66.70 67.50 1cw3 h VAL 115 Cb 0.64 0.37 0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1cw3 h VAL 115 CO -0.32 0.12 -1.35 0.40 0.02 0.00 0.00 177.57 176.45 1cw3 h ILE 116 N 0.66 1.30 -0.56 4.57 1.08 -1.37 -1.80 117.51 121.41 1cw3 h ILE 116 Ca 0.22 -2.63 -0.02 0.00 -0.39 0.00 0.00 64.86 62.04 1cw3 h ILE 116 Cb 0.05 2.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.64 1cw3 h ILE 116 CO -0.05 0.79 0.28 0.28 -0.69 0.00 0.00 178.15 178.76 1cw3 h SER 117 N 0.20 0.72 0.55 1.72 0.02 -0.65 0.51 113.55 116.62 1cw3 h SER 117 Ca -0.21 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1cw3 h SER 117 Cb 2.03 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 64.39 1cw3 h SER 117 CO 0.25 0.63 -0.26 0.22 -1.14 0.00 0.00 176.83 176.53 1cw3 h TYR 118 N 0.75 -0.68 -0.09 3.45 3.20 -1.08 0.80 116.97 123.32 1cw3 h TYR 118 Ca 0.19 -0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.81 1cw3 h TYR 118 Cb 0.09 0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1cw3 h TYR 118 CO -0.01 -0.41 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.16 1cw3 h LEU 119 N -1.18 0.87 0.00 2.82 3.38 -1.40 -3.32 115.31 116.48 1cw3 h LEU 119 Ca -0.08 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1cw3 h LEU 119 Cb 0.58 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1cw3 h LEU 119 CO 0.12 1.41 0.00 0.52 0.09 0.00 0.00 178.44 180.59 1cw3 n VAL 120 N -3.89 0.00 -0.06 1.22 0.31 0.06 -4.12 118.33 111.85 1cw3 n VAL 120 Ca -0.08 0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 64.51 1cw3 n VAL 120 Cb 0.79 -1.28 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 1cw3 n VAL 120 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1cw3 h ASP 121 N 0.00 -1.35 0.21 4.52 3.32 -1.16 -0.57 116.42 121.38 1cw3 h ASP 121 Ca 0.00 0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1cw3 h ASP 121 Cb 0.00 0.57 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1cw3 h ASP 121 CO 0.00 -0.40 -0.36 -0.07 -1.72 0.00 0.00 179.24 176.70 1cw3 h LEU 122 N -0.41 0.23 -0.48 1.55 4.07 -0.97 -1.49 115.31 117.81 1cw3 h LEU 122 Ca 0.10 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1cw3 h LEU 122 Cb 0.60 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1cw3 h LEU 122 CO -0.48 0.57 0.14 -0.78 -1.08 0.00 0.00 178.44 176.82 1cw3 h ASP 123 N 0.19 0.70 0.60 -0.43 3.58 -1.54 -1.48 116.42 118.04 1cw3 h ASP 123 Ca 0.02 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.19 1cw3 h ASP 123 Cb 0.73 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1cw3 h ASP 123 CO 0.06 0.73 -0.35 0.24 -2.88 0.00 0.00 179.24 177.04 1cw3 h MET 124 N 0.64 0.00 0.10 0.28 2.86 -0.86 -0.80 114.93 117.15 1cw3 h MET 124 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1cw3 h MET 124 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1cw3 h MET 124 CO -0.00 0.35 -0.05 0.28 1.06 0.00 0.00 176.91 178.54 1cw3 h VAL 125 N 0.00 1.10 -0.21 -2.22 2.07 -0.93 -1.60 116.25 114.45 1cw3 h VAL 125 Ca -0.00 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1cw3 h VAL 125 Cb 0.74 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1cw3 h VAL 125 CO 0.05 0.20 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 1cw3 h LEU 126 N -0.55 -0.01 -1.11 2.57 3.38 -1.07 -1.65 115.31 116.87 1cw3 h LEU 126 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1cw3 h LEU 126 Cb 0.44 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1cw3 h LEU 126 CO 0.02 0.02 0.35 0.11 0.09 0.00 0.00 178.44 179.04 1cw3 h LYS 127 N 0.11 0.97 0.23 1.13 1.57 -1.18 -0.23 116.57 119.18 1cw3 h LYS 127 Ca 0.10 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1cw3 h LYS 127 Cb 0.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1cw3 h LYS 127 CO -0.14 0.74 -0.11 0.00 -0.57 0.00 0.00 179.45 179.37 1cw3 h LEU 129 N -0.57 0.16 -1.19 0.00 3.38 -1.13 -0.76 115.31 115.19 1cw3 h LEU 129 Ca -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1cw3 h LEU 129 Cb 0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1cw3 h LEU 129 CO 0.05 0.12 -0.09 0.03 0.09 0.00 0.00 178.44 178.64 1cw3 h ARG 130 N 0.26 0.45 0.36 1.13 3.08 -1.06 -0.66 114.38 117.93 1cw3 h ARG 130 Ca 0.12 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1cw3 h ARG 130 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1cw3 h ARG 130 CO -0.10 0.55 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.26 1cw3 h TYR 131 N 0.42 -0.44 0.00 3.04 3.20 -0.41 -2.91 116.97 119.87 1cw3 h TYR 131 Ca 0.08 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1cw3 h TYR 131 Cb 0.43 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1cw3 h TYR 131 CO 0.01 -0.21 -0.15 1.88 -1.64 0.00 0.00 178.16 178.05 1cw3 h TYR 132 N -0.59 0.00 -0.46 -3.82 -1.99 -0.96 -2.07 116.97 107.08 1cw3 h TYR 132 Ca -0.05 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1cw3 h TYR 132 Cb 0.43 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 1cw3 h TYR 132 CO -0.03 0.15 0.28 0.00 -0.00 0.00 0.00 178.16 178.56 1cw3 h ALA 133 N 1.85 1.63 -0.29 3.88 0.00 -0.92 -1.98 119.26 123.43 1cw3 h ALA 133 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1cw3 h ALA 133 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cw3 h ALA 133 CO 0.02 0.33 -0.18 0.78 0.00 0.00 0.00 179.25 180.20 1cw3 h GLY 134 N 0.66 0.56 2.00 0.00 0.00 -1.30 -3.09 103.07 101.90 1cw3 h GLY 134 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1cw3 h GLY 134 CO -0.03 0.39 -0.25 1.49 0.00 0.00 0.00 176.54 178.13 1cw3 h TRP 135 N 0.47 0.00 -0.73 5.60 -0.00 -1.40 -3.38 115.95 116.51 1cw3 h TRP 135 Ca 0.08 0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.10 1cw3 h TRP 135 Cb 0.58 0.00 -0.13 0.00 -0.00 0.00 0.00 29.16 29.61 1cw3 h TRP 135 CO 0.02 0.25 -0.22 0.00 -0.00 0.00 0.00 178.44 178.50 1cw3 n ALA 136 N -2.23 0.09 -1.20 1.49 0.00 -1.16 -1.08 120.51 116.41 1cw3 n ALA 136 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 53.44 54.23 1cw3 n ALA 136 Cb 0.45 -0.43 0.23 0.00 0.00 0.00 0.00 19.45 19.71 1cw3 n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cw3 n ASP 137 N -5.15 3.31 0.00 0.00 3.85 -1.26 -4.61 116.55 112.69 1cw3 n ASP 137 Ca 0.10 -3.37 0.00 0.00 -0.71 0.00 0.00 54.79 50.81 1cw3 n ASP 137 Cb 0.34 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 1cw3 n ASP 137 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1cw3 n LYS 138 N -0.80 0.18 -2.58 0.11 5.02 -0.24 -4.88 118.16 114.97 1cw3 n LYS 138 Ca 0.29 -0.35 -0.43 0.00 -2.02 0.00 0.00 58.31 55.80 1cw3 n LYS 138 Cb 1.01 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1cw3 n LYS 138 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1cw3 n TYR 139 N -0.13 4.35 -1.54 2.13 9.36 -1.20 -4.98 117.16 125.15 1cw3 n TYR 139 Ca 0.00 -3.06 -0.34 0.00 3.32 0.00 0.00 57.90 57.82 1cw3 n TYR 139 Cb 0.04 -2.33 0.08 0.00 -0.63 0.00 0.00 39.34 36.50 1cw3 n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1cw3 s HIS 140 N 2.37 2.16 0.00 2.98 3.76 -1.26 -4.85 115.29 120.46 1cw3 s HIS 140 Ca 0.46 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 1cw3 s HIS 140 Cb 0.04 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.28 1cw3 s HIS 140 CO 0.02 -2.46 0.00 0.41 -0.85 0.00 0.00 174.74 171.86 1cw3 n GLY 141 N 0.30 1.48 3.08 -2.22 0.00 -1.26 -4.91 105.19 101.66 1cw3 n GLY 141 Ca 0.13 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1cw3 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cw3 s LYS 142 N 2.65 0.51 -0.22 1.61 1.02 -1.17 -4.94 119.74 119.20 1cw3 s LYS 142 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 55.97 55.21 1cw3 s LYS 142 Cb 0.00 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1cw3 s LYS 142 CO 0.00 -0.11 0.02 0.95 -0.92 0.00 0.00 175.35 175.28 1cw3 s THR 143 N -2.32 3.97 -0.17 2.17 -4.23 -1.26 -0.33 115.64 113.47 1cw3 s THR 143 Ca -0.08 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.09 1cw3 s THR 143 Cb -0.03 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1cw3 s THR 143 CO -0.04 0.40 0.01 -0.63 -0.54 0.00 0.00 174.62 173.82 1cw3 s ILE 144 N 1.30 4.27 -1.33 2.99 1.01 0.11 -4.95 121.20 124.60 1cw3 s ILE 144 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1cw3 s ILE 144 Cb -0.15 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 1cw3 s ILE 144 CO 0.01 0.48 2.60 -0.81 0.00 0.00 0.00 174.94 177.22 1cw3 n PRO 145 N 3.57 3.02 -1.21 2.79 -0.04 -1.26 -3.85 135.00 138.02 1cw3 n PRO 145 Ca -0.17 -1.91 -0.31 0.00 -0.04 0.00 0.00 63.50 61.07 1cw3 n PRO 145 Cb 0.52 -2.67 0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1cw3 n PRO 145 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1cw3 s ILE 146 N 2.72 3.12 0.91 0.52 2.07 -1.26 -5.03 121.20 124.25 1cw3 s ILE 146 Ca 0.57 0.36 -0.12 0.00 -1.41 0.00 0.00 60.65 60.06 1cw3 s ILE 146 Cb 0.15 -2.82 0.14 0.00 0.13 0.00 0.00 42.46 40.06 1cw3 s ILE 146 CO -0.05 -0.48 1.10 -1.81 -1.91 0.00 0.00 174.94 171.79 1cw3 s ASP 147 N -3.35 3.37 0.26 4.50 1.01 -1.26 -4.82 116.67 116.37 1cw3 s ASP 147 Ca 0.62 1.35 0.00 0.00 0.71 0.00 0.00 52.55 55.23 1cw3 s ASP 147 Cb -0.18 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1cw3 s ASP 147 CO 0.56 -2.69 0.00 0.61 0.21 0.00 0.00 175.17 173.87 1cw3 n GLY 148 N -1.31 -1.87 2.82 0.21 0.00 -1.26 -4.35 105.19 99.44 1cw3 n GLY 148 Ca 0.06 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1cw3 n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cw3 n ASP 149 N -3.42 3.85 -4.02 1.61 8.00 -1.26 -4.75 116.55 116.56 1cw3 n ASP 149 Ca -0.00 -2.83 -0.08 0.00 0.71 0.00 0.00 54.79 52.58 1cw3 n ASP 149 Cb 0.47 -1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 39.84 1cw3 n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cw3 s PHE 150 N 3.44 0.35 -0.28 1.24 0.40 -1.26 -1.77 117.98 120.09 1cw3 s PHE 150 Ca 0.48 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1cw3 s PHE 150 Cb 0.13 -0.26 0.03 0.00 0.51 0.00 0.00 43.02 43.43 1cw3 s PHE 150 CO -0.06 -0.26 -0.00 0.12 0.70 0.00 0.00 175.22 175.71 1cw3 s PHE 151 N -2.39 3.16 0.00 0.36 5.36 0.96 -4.77 117.98 120.67 1cw3 s PHE 151 Ca -0.07 -1.57 0.06 0.00 -0.96 0.00 0.00 56.93 54.39 1cw3 s PHE 151 Cb -0.03 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1cw3 s PHE 151 CO -0.04 -0.73 -0.17 0.45 -1.46 0.00 0.00 175.22 173.27 1cw3 s SER 152 N 1.33 3.86 0.28 6.13 0.15 -1.25 -0.32 113.70 123.88 1cw3 s SER 152 Ca -0.02 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 1cw3 s SER 152 Cb -0.18 -0.70 0.01 0.00 -1.71 0.00 0.00 66.02 63.45 1cw3 s SER 152 CO -0.02 0.29 0.65 -0.72 1.20 0.00 0.00 173.24 174.65 1cw3 s TYR 153 N -0.84 0.02 -0.02 3.44 -0.85 -0.59 0.09 117.35 118.60 1cw3 s TYR 153 Ca 0.13 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.26 1cw3 s TYR 153 Cb -0.11 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 1cw3 s TYR 153 CO 0.03 -1.19 -0.14 0.95 -1.52 0.00 0.00 175.55 173.69 1cw3 s THR 154 N -3.82 1.10 -0.23 -3.49 -4.23 0.55 -0.74 115.64 104.78 1cw3 s THR 154 Ca 0.15 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 1cw3 s THR 154 Cb -0.04 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 1cw3 s THR 154 CO 0.08 0.32 0.12 -0.13 -0.54 0.00 0.00 174.62 174.46 1cw3 s ARG 155 N -0.20 3.96 -0.80 3.99 0.52 0.42 -3.04 118.95 123.81 1cw3 s ARG 155 Ca 0.03 -0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 1cw3 s ARG 155 Cb -0.07 -3.41 0.13 0.00 0.52 0.00 0.00 34.95 32.13 1cw3 s ARG 155 CO -0.00 0.07 0.94 -1.01 0.02 0.00 0.00 175.30 175.33 1cw3 s HIS 156 N 0.97 3.15 0.50 -0.53 3.76 -1.26 -1.69 115.29 120.19 1cw3 s HIS 156 Ca 0.06 -1.29 0.02 0.00 -0.15 0.00 0.00 55.06 53.70 1cw3 s HIS 156 Cb -0.14 -4.14 0.02 0.00 1.11 0.00 0.00 32.58 29.44 1cw3 s HIS 156 CO 0.03 -1.37 0.71 -1.21 -0.85 0.00 0.00 174.74 172.05 1cw3 s GLU 157 N 2.40 2.74 0.62 1.40 2.02 -0.62 -4.91 118.70 122.35 1cw3 s GLU 157 Ca 0.24 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 1cw3 s GLU 157 Cb -0.12 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1cw3 s GLU 157 CO -0.03 -0.50 1.07 -2.14 0.02 0.00 0.00 175.26 173.67 1cw3 s PRO 158 N -4.63 3.15 0.38 0.39 0.02 -1.26 -1.39 135.00 131.66 1cw3 s PRO 158 Ca 0.54 1.20 0.19 0.00 0.02 0.00 0.00 61.00 62.96 1cw3 s PRO 158 Cb -0.10 -2.01 0.64 0.00 0.02 0.00 0.00 34.50 33.05 1cw3 s PRO 158 CO 0.37 -0.95 1.71 -0.24 -0.33 0.00 0.00 177.00 177.56 1cw3 h VAL 159 N 0.17 0.79 0.00 3.83 3.04 -1.82 -3.37 116.25 118.89 1cw3 h VAL 159 Ca -0.46 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 1cw3 h VAL 159 Cb 1.22 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1cw3 h VAL 159 CO 0.57 0.35 0.00 0.61 -1.01 0.00 0.00 177.57 178.09 1cw3 n GLY 160 N 0.38 0.20 3.64 3.17 0.00 -1.26 -4.81 105.19 106.50 1cw3 n GLY 160 Ca 0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1cw3 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cw3 s VAL 161 N 0.00 4.66 -0.17 1.61 1.01 -1.26 -2.20 120.40 124.06 1cw3 s VAL 161 Ca 0.00 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.66 1cw3 s VAL 161 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1cw3 s VAL 161 CO 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 175.10 174.73 1cw3 s GLY 163 N 0.72 2.25 -0.18 0.00 0.00 0.11 -1.26 107.32 108.95 1cw3 s GLY 163 Ca -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.29 1cw3 s GLY 163 CO 0.02 0.52 -0.06 1.20 0.00 0.00 0.00 173.10 174.77 1cw3 s GLN 164 N 0.51 1.60 -0.20 2.90 -0.21 -0.25 -1.00 119.66 123.00 1cw3 s GLN 164 Ca 0.19 -0.64 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1cw3 s GLN 164 Cb -0.13 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 1cw3 s GLN 164 CO 0.05 -0.45 0.01 0.42 -2.12 0.00 0.00 175.29 173.21 1cw3 s ILE 165 N 1.55 4.14 0.22 1.08 1.01 -0.58 -0.42 121.20 128.20 1cw3 s ILE 165 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1cw3 s ILE 165 Cb -0.16 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1cw3 s ILE 165 CO -0.08 0.43 -0.16 0.27 0.00 0.00 0.00 174.94 175.41 1cw3 s ILE 166 N 0.88 1.88 0.00 2.92 -4.36 -0.92 -1.71 121.20 119.90 1cw3 s ILE 166 Ca 0.01 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 1cw3 s ILE 166 Cb -0.14 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1cw3 s ILE 166 CO 0.02 -0.55 0.00 -0.81 0.24 0.00 0.00 174.94 173.84 1cw3 n PRO 167 N -0.40 0.63 0.00 0.37 -0.04 -1.20 -3.12 135.00 131.24 1cw3 n PRO 167 Ca -0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1cw3 n PRO 167 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.02 1cw3 n PRO 167 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cw3 n TRP 168 N -1.30 0.00 0.10 0.54 4.27 -1.26 -4.30 117.44 115.49 1cw3 n TRP 168 Ca 0.00 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.60 1cw3 n TRP 168 Cb 0.00 0.00 0.27 0.00 -1.36 0.00 0.00 31.31 30.22 1cw3 n TRP 168 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 1cw3 h ASN 169 N 0.20 0.24 -1.96 -0.67 -1.07 -1.98 -3.35 115.58 107.00 1cw3 h ASN 169 Ca 0.00 -0.08 -0.55 0.00 0.07 0.00 0.00 56.30 55.73 1cw3 h ASN 169 Cb 0.24 -0.07 -0.38 0.00 -2.07 0.00 0.00 38.32 36.04 1cw3 h ASN 169 CO 0.00 0.56 -1.09 0.49 0.07 0.00 0.00 177.43 177.46 1cw3 n PHE 170 N -4.10 -0.48 -0.12 4.14 3.01 -1.26 -5.04 117.46 113.61 1cw3 n PHE 170 Ca -0.01 -3.50 -0.09 0.00 1.01 0.00 0.00 57.45 54.86 1cw3 n PHE 170 Cb 0.41 -0.27 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 1cw3 n PHE 170 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cw3 h PRO 171 N 4.07 -0.23 -0.11 -1.08 0.11 -1.79 0.28 132.00 133.25 1cw3 h PRO 171 Ca 0.07 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1cw3 h PRO 171 Cb 0.89 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1cw3 h PRO 171 CO 0.45 -0.15 0.06 -0.07 -0.21 0.00 0.00 178.00 178.08 1cw3 h LEU 172 N -0.24 0.14 -0.16 2.35 3.38 -1.95 -2.65 115.31 116.18 1cw3 h LEU 172 Ca 0.06 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1cw3 h LEU 172 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cw3 h LEU 172 CO -0.43 0.16 0.08 0.25 0.09 0.00 0.00 178.44 178.59 1cw3 h LEU 173 N 0.10 0.13 -1.84 1.67 5.85 -1.79 -0.54 115.31 118.90 1cw3 h LEU 173 Ca 0.04 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1cw3 h LEU 173 Cb 0.05 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1cw3 h LEU 173 CO -0.01 0.10 -0.11 0.24 -0.34 0.00 0.00 178.44 178.32 1cw3 h MET 174 N 0.18 0.00 -0.06 1.25 2.86 -0.46 -0.57 114.93 118.12 1cw3 h MET 174 Ca 0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1cw3 h MET 174 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1cw3 h MET 174 CO -0.04 0.11 -0.22 0.37 1.06 0.00 0.00 176.91 178.19 1cw3 h GLN 175 N 0.00 0.26 -0.58 1.72 4.15 -1.03 -3.13 115.11 116.50 1cw3 h GLN 175 Ca -0.00 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 1cw3 h GLN 175 Cb 0.21 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1cw3 h GLN 175 CO 0.01 0.83 0.36 0.00 -1.93 0.00 0.00 178.83 178.11 1cw3 h ALA 176 N 0.43 0.74 0.00 3.38 0.00 -0.58 0.21 119.26 123.46 1cw3 h ALA 176 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cw3 h ALA 176 Cb 0.86 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cw3 h ALA 176 CO 0.05 0.21 -0.01 -1.49 0.00 0.00 0.00 179.25 178.01 1cw3 h TRP 177 N 0.79 0.00 0.08 0.00 4.06 -1.18 -0.20 115.95 119.50 1cw3 h TRP 177 Ca 0.21 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.81 1cw3 h TRP 177 Cb -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 1cw3 h TRP 177 CO -0.03 0.01 -2.00 1.63 -3.56 0.00 0.00 178.44 174.50 1cw3 n LYS 178 N -3.67 0.70 -0.01 0.49 4.76 -0.81 -4.45 118.16 115.17 1cw3 n LYS 178 Ca -0.03 0.29 -0.17 0.00 -2.87 0.00 0.00 58.31 55.53 1cw3 n LYS 178 Cb 0.09 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.54 1cw3 n LYS 178 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cw3 h LEU 179 N -0.16 0.92 0.07 -0.35 3.38 -0.80 -3.18 115.31 115.19 1cw3 h LEU 179 Ca -0.45 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 56.90 1cw3 h LEU 179 Cb 1.88 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 1cw3 h LEU 179 CO -0.01 1.43 -0.43 1.23 0.09 0.00 0.00 178.44 180.74 1cw3 h GLY 180 N 0.57 -1.18 1.49 0.83 0.00 -1.26 -0.15 103.07 103.36 1cw3 h GLY 180 Ca -0.06 0.63 -0.11 0.00 0.00 0.00 0.00 47.33 47.79 1cw3 h GLY 180 CO 0.17 -0.30 -0.27 -0.56 0.00 0.00 0.00 176.54 175.58 1cw3 h PRO 181 N -0.59 0.59 0.14 4.80 0.13 -1.78 -1.94 132.00 133.35 1cw3 h PRO 181 Ca -0.00 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1cw3 h PRO 181 Cb 0.60 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1cw3 h PRO 181 CO -0.25 0.80 -0.07 0.00 -0.23 0.00 0.00 178.00 178.25 1cw3 h ALA 182 N 1.20 -0.19 -0.46 -0.56 0.00 -1.51 -2.74 119.26 115.00 1cw3 h ALA 182 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1cw3 h ALA 182 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1cw3 h ALA 182 CO 0.06 -0.45 -0.12 -0.07 0.00 0.00 0.00 179.25 178.67 1cw3 h LEU 183 N -0.51 0.85 -1.90 0.00 3.38 -1.08 -1.26 115.31 114.79 1cw3 h LEU 183 Ca -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1cw3 h LEU 183 Cb 0.40 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cw3 h LEU 183 CO 0.03 0.98 -0.10 0.00 0.09 0.00 0.00 178.44 179.45 1cw3 h ALA 184 N 1.09 1.68 -0.01 1.53 0.00 -1.37 -1.71 119.26 120.47 1cw3 h ALA 184 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cw3 h ALA 184 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cw3 h ALA 184 CO 0.04 0.13 -0.18 0.25 0.00 0.00 0.00 179.25 179.49 1cw3 n THR 185 N -4.20 0.00 -1.62 0.00 -2.24 -1.03 -4.18 114.28 101.01 1cw3 n THR 185 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1cw3 n THR 185 Cb 0.18 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1cw3 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 186 N 1.30 0.85 4.00 3.38 0.00 -0.64 -4.21 105.19 109.87 1cw3 n GLY 186 Ca 0.14 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1cw3 n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cw3 s ASN 187 N -2.74 5.24 0.05 1.61 0.01 -0.51 -4.74 114.94 113.86 1cw3 s ASN 187 Ca 0.00 -0.42 0.09 0.00 -0.71 0.00 0.00 52.86 51.82 1cw3 s ASN 187 Cb 0.00 -0.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 1cw3 s ASN 187 CO 0.00 -1.16 -0.25 0.68 -1.51 0.00 0.00 177.10 174.87 1cw3 s VAL 188 N -2.64 2.28 0.10 1.60 -7.23 -0.93 -4.60 120.40 108.98 1cw3 s VAL 188 Ca 0.59 -1.39 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1cw3 s VAL 188 Cb -0.08 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1cw3 s VAL 188 CO 0.37 0.33 -0.17 0.68 -0.31 0.00 0.00 175.10 176.01 1cw3 s VAL 189 N -0.85 1.43 -0.29 1.32 -7.23 0.86 -1.14 120.40 114.50 1cw3 s VAL 189 Ca 0.13 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1cw3 s VAL 189 Cb -0.10 -1.42 0.08 0.00 0.56 0.00 0.00 36.38 35.50 1cw3 s VAL 189 CO 0.03 -0.24 0.02 -0.69 -0.31 0.00 0.00 175.10 173.92 1cw3 s VAL 190 N -1.55 1.54 -0.14 1.32 1.01 -0.39 -0.53 120.40 121.65 1cw3 s VAL 190 Ca 0.05 -1.59 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 1cw3 s VAL 190 Cb -0.08 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1cw3 s VAL 190 CO 0.03 -0.42 0.10 -0.32 0.00 0.00 0.00 175.10 174.50 1cw3 s MET 191 N 1.32 3.64 -0.36 2.72 1.75 0.70 -1.09 119.30 127.97 1cw3 s MET 191 Ca 0.04 -0.23 -0.02 0.00 -1.25 0.00 0.00 55.69 54.22 1cw3 s MET 191 Cb -0.18 -3.18 0.09 0.00 2.84 0.00 0.00 34.83 34.39 1cw3 s MET 191 CO -0.12 0.57 0.12 0.21 -0.65 0.00 0.00 175.02 175.15 1cw3 s LYS 192 N -0.44 2.13 0.51 4.11 2.36 0.44 -0.35 119.74 128.50 1cw3 s LYS 192 Ca 0.11 -1.61 -0.16 0.00 -2.55 0.00 0.00 55.97 51.76 1cw3 s LYS 192 Cb -0.12 -3.42 -0.08 0.00 -1.05 0.00 0.00 37.83 33.17 1cw3 s LYS 192 CO 0.02 -0.89 0.97 0.14 1.55 0.00 0.00 175.35 177.13 1cw3 s VAL 193 N 1.17 4.57 0.21 4.02 -7.23 -1.25 -2.15 120.40 119.73 1cw3 s VAL 193 Ca 0.04 1.14 -0.31 0.00 -1.81 0.00 0.00 61.98 61.04 1cw3 s VAL 193 Cb -0.21 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 1cw3 s VAL 193 CO -0.03 -0.70 1.53 0.00 -0.31 0.00 0.00 175.10 175.59 1cw3 s ALA 194 N -2.64 3.73 0.63 1.32 0.00 -1.18 -4.34 121.76 119.28 1cw3 s ALA 194 Ca 0.58 1.39 0.35 0.00 0.00 0.00 0.00 51.96 54.28 1cw3 s ALA 194 Cb -0.10 -3.61 1.99 0.00 0.00 0.00 0.00 23.12 21.41 1cw3 s ALA 194 CO 0.33 -0.80 2.22 1.05 0.00 0.00 0.00 175.76 178.56 1cw3 h GLU 195 N 5.96 0.00 0.00 0.00 9.09 -1.91 -1.39 114.58 126.32 1cw3 h GLU 195 Ca -0.44 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.78 1cw3 h GLU 195 Cb 1.21 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.28 1cw3 h GLU 195 CO 0.85 0.00 -0.90 1.96 0.05 0.00 0.00 179.01 180.97 1cw3 h GLN 196 N 0.00 0.00 -2.00 1.06 7.50 -1.92 -3.40 115.11 116.35 1cw3 h GLN 196 Ca 0.02 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.62 1cw3 h GLN 196 Cb 0.22 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 27.37 1cw3 h GLN 196 CO -0.00 0.90 -1.06 0.25 -1.50 0.00 0.00 178.83 177.42 1cw3 n THR 197 N -3.40 -0.77 0.04 -0.54 -2.24 -0.55 -4.69 114.28 102.13 1cw3 n THR 197 Ca -0.00 -3.81 0.06 0.00 -2.27 0.00 0.00 64.05 58.03 1cw3 n THR 197 Cb 0.87 -1.78 -0.08 0.00 -2.10 0.00 0.00 70.33 67.24 1cw3 n THR 197 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cw3 n PRO 198 N 1.68 0.63 0.05 -0.78 -0.04 -1.07 -4.46 135.00 131.01 1cw3 n PRO 198 Ca 0.22 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1cw3 n PRO 198 Cb 0.52 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1cw3 n PRO 198 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cw3 h LEU 199 N 0.00 -0.73 -0.72 1.53 3.38 -1.90 -2.89 115.31 113.98 1cw3 h LEU 199 Ca -0.10 0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1cw3 h LEU 199 Cb 1.28 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 1cw3 h LEU 199 CO 0.02 -0.31 0.47 0.71 0.09 0.00 0.00 178.44 179.42 1cw3 h THR 200 N -0.36 1.19 -0.13 0.22 1.35 -1.88 -2.26 112.91 111.03 1cw3 h THR 200 Ca 0.07 -0.35 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 1cw3 h THR 200 Cb 0.46 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 1cw3 h THR 200 CO -0.24 0.18 -0.13 0.00 -0.25 0.00 0.00 175.52 175.08 1cw3 h ALA 201 N 1.26 1.55 -0.34 6.62 0.00 -1.85 -1.43 119.26 125.06 1cw3 h ALA 201 Ca 0.26 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1cw3 h ALA 201 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1cw3 h ALA 201 CO -0.06 0.33 -0.43 -0.07 0.00 0.00 0.00 179.25 179.02 1cw3 h LEU 202 N 0.19 0.95 -0.95 0.00 3.38 -1.22 -2.45 115.31 115.20 1cw3 h LEU 202 Ca 0.04 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 1cw3 h LEU 202 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cw3 h LEU 202 CO 0.02 1.24 -0.33 0.22 0.09 0.00 0.00 178.44 179.68 1cw3 h TYR 203 N 0.71 0.41 0.00 1.13 3.20 -0.85 -2.32 116.97 119.24 1cw3 h TYR 203 Ca 0.05 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1cw3 h TYR 203 Cb 1.02 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1cw3 h TYR 203 CO 0.06 0.65 -0.28 0.28 -1.64 0.00 0.00 178.16 177.23 1cw3 h VAL 204 N 0.31 0.97 -0.25 1.81 2.07 -1.09 -1.74 116.25 118.33 1cw3 h VAL 204 Ca 0.04 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1cw3 h VAL 204 Cb 0.73 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1cw3 h VAL 204 CO 0.06 0.28 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 1cw3 h ALA 205 N 1.72 1.18 -0.43 1.67 0.00 -0.93 -0.67 119.26 121.79 1cw3 h ALA 205 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1cw3 h ALA 205 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1cw3 h ALA 205 CO 0.04 0.52 0.19 -0.97 0.00 0.00 0.00 179.25 179.03 1cw3 h ASN 206 N 0.41 0.59 0.70 0.00 -1.24 -1.21 -1.99 115.58 112.84 1cw3 h ASN 206 Ca 0.07 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 1cw3 h ASN 206 Cb 0.59 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1cw3 h ASN 206 CO 0.04 0.58 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.50 1cw3 h LEU 207 N 0.56 0.00 -0.58 0.34 3.38 -1.17 -1.26 115.31 116.57 1cw3 h LEU 207 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1cw3 h LEU 207 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1cw3 h LEU 207 CO -0.01 0.19 -0.51 0.40 0.09 0.00 0.00 178.44 178.60 1cw3 h ILE 208 N 0.00 1.32 -0.18 1.22 2.04 -0.43 0.14 117.51 121.63 1cw3 h ILE 208 Ca -0.00 -1.74 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 1cw3 h ILE 208 Cb 0.59 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1cw3 h ILE 208 CO 0.02 0.54 -0.34 0.50 0.00 0.00 0.00 178.15 178.87 1cw3 h LYS 209 N 0.41 0.54 -0.66 2.37 3.64 -0.76 -2.72 116.57 119.41 1cw3 h LYS 209 Ca 0.02 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1cw3 h LYS 209 Cb 1.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1cw3 h LYS 209 CO 0.09 0.96 0.31 1.49 -2.27 0.00 0.00 179.45 180.03 1cw3 h GLU 210 N 0.20 0.93 0.00 1.90 4.81 -1.10 -1.84 114.58 119.48 1cw3 h GLU 210 Ca 0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1cw3 h GLU 210 Cb 0.94 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1cw3 h GLU 210 CO 0.08 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 1cw3 h ALA 211 N 1.41 1.00 0.00 2.92 0.00 -0.68 -3.46 119.26 120.45 1cw3 h ALA 211 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1cw3 h ALA 211 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cw3 h ALA 211 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1cw3 n GLY 212 N -0.49 1.04 3.72 0.00 0.00 -0.69 -4.88 105.19 103.89 1cw3 n GLY 212 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1cw3 n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 213 N -2.00 3.14 0.54 1.61 0.40 -1.03 -4.94 117.98 115.69 1cw3 s PHE 213 Ca 0.00 0.87 -0.21 0.00 -0.60 0.00 0.00 56.93 57.00 1cw3 s PHE 213 Cb 0.00 -3.79 -0.07 0.00 0.51 0.00 0.00 43.02 39.67 1cw3 s PHE 213 CO 0.00 -2.76 0.98 -2.30 0.70 0.00 0.00 175.22 171.84 1cw3 n PRO 214 N 3.52 1.10 -1.72 0.24 -0.02 -1.26 -4.77 135.00 132.08 1cw3 n PRO 214 Ca 0.11 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1cw3 n PRO 214 Cb 0.41 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1cw3 n PRO 214 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1cw3 n PRO 215 N -0.55 2.23 -0.10 0.52 -0.02 -1.26 -2.53 135.00 133.29 1cw3 n PRO 215 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1cw3 n PRO 215 Cb 0.44 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1cw3 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cw3 n GLY 216 N 0.68 2.19 0.26 -1.23 0.00 -1.26 -4.71 105.19 101.11 1cw3 n GLY 216 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1cw3 n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cw3 h VAL 217 N 0.00 1.27 -3.25 1.61 2.07 -1.80 -3.28 116.25 112.87 1cw3 h VAL 217 Ca 0.00 -1.62 -0.53 0.00 0.82 0.00 0.00 66.70 65.37 1cw3 h VAL 217 Cb 0.00 1.48 -0.37 0.00 -1.52 0.00 0.00 31.29 30.88 1cw3 h VAL 217 CO 0.00 0.54 -0.79 -0.69 0.02 0.00 0.00 177.57 176.64 1cw3 s VAL 218 N -4.29 0.97 -0.07 2.57 1.01 -1.26 -0.10 120.40 119.24 1cw3 s VAL 218 Ca -0.11 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1cw3 s VAL 218 Cb 0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1cw3 s VAL 218 CO 0.88 0.24 -0.21 0.20 0.00 0.00 0.00 175.10 176.21 1cw3 s ASN 219 N 1.71 2.71 -0.17 3.32 0.01 0.31 -4.69 114.94 118.14 1cw3 s ASN 219 Ca 0.03 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1cw3 s ASN 219 Cb -0.14 -0.92 0.02 0.00 0.41 0.00 0.00 41.25 40.62 1cw3 s ASN 219 CO -0.08 0.18 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.88 1cw3 s ILE 220 N 0.09 1.90 -0.40 0.60 1.01 -0.02 -0.22 121.20 124.17 1cw3 s ILE 220 Ca -0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1cw3 s ILE 220 Cb -0.14 -1.73 0.10 0.00 0.01 0.00 0.00 42.46 40.70 1cw3 s ILE 220 CO 0.05 0.51 0.19 -0.69 0.00 0.00 0.00 174.94 175.00 1cw3 s VAL 221 N 1.31 3.39 0.38 2.92 1.01 0.53 -0.79 120.40 129.14 1cw3 s VAL 221 Ca 0.04 -1.91 -0.24 0.00 0.00 0.00 0.00 61.98 59.86 1cw3 s VAL 221 Cb -0.13 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1cw3 s VAL 221 CO -0.11 -0.62 1.00 -2.16 0.00 0.00 0.00 175.10 173.21 1cw3 s PRO 222 N 1.19 4.32 0.00 2.72 0.04 -1.26 -3.93 135.00 138.08 1cw3 s PRO 222 Ca 0.06 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1cw3 s PRO 222 Cb -0.23 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1cw3 s PRO 222 CO -0.03 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1cw3 n GLY 223 N 0.25 -0.51 4.00 0.56 0.00 -1.26 -0.45 105.19 107.78 1cw3 n GLY 223 Ca 0.04 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1cw3 n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 224 N -3.15 2.89 -0.04 1.61 0.40 -1.26 -3.80 117.98 114.63 1cw3 s PHE 224 Ca 0.00 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.85 1cw3 s PHE 224 Cb 0.00 -2.30 -0.09 0.00 0.51 0.00 0.00 43.02 41.13 1cw3 s PHE 224 CO 0.00 -0.34 0.66 0.78 0.70 0.00 0.00 175.22 177.02 1cw3 h GLY 225 N 0.67 -0.53 1.66 4.36 0.00 -1.95 -1.14 103.07 106.14 1cw3 h GLY 225 Ca -0.42 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1cw3 h GLY 225 CO 0.47 -0.19 0.16 -2.55 0.00 0.00 0.00 176.54 174.43 1cw3 h PRO 226 N -1.11 0.00 0.00 4.80 0.11 -1.98 -0.01 132.00 133.81 1cw3 h PRO 226 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1cw3 h PRO 226 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1cw3 h PRO 226 CO 0.09 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.13 1cw3 n THR 227 N -3.17 0.00 -0.08 -1.15 -2.24 -1.25 -4.37 114.28 102.03 1cw3 n THR 227 Ca -0.02 0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1cw3 n THR 227 Cb 0.23 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1cw3 n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cw3 h ALA 228 N -2.00 0.33 0.23 6.98 0.00 -1.31 -2.16 119.26 121.33 1cw3 h ALA 228 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1cw3 h ALA 228 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cw3 h ALA 228 CO 0.00 0.08 -0.13 0.78 0.00 0.00 0.00 179.25 179.98 1cw3 h GLY 229 N 0.20 -0.35 1.35 0.00 0.00 -0.81 -2.51 103.07 100.95 1cw3 h GLY 229 Ca 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1cw3 h GLY 229 CO 0.02 -0.14 0.39 0.00 0.00 0.00 0.00 176.54 176.80 1cw3 h ALA 230 N 0.42 1.47 -0.72 3.60 0.00 -1.10 -1.03 119.26 121.90 1cw3 h ALA 230 Ca -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 230 Cb 0.28 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1cw3 h ALA 230 CO 0.03 0.46 0.45 0.00 0.00 0.00 0.00 179.25 180.19 1cw3 h ALA 231 N 1.54 0.95 -0.12 0.00 0.00 -1.16 0.12 119.26 120.59 1cw3 h ALA 231 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1cw3 h ALA 231 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1cw3 h ALA 231 CO -0.04 0.22 -0.08 0.82 0.00 0.00 0.00 179.25 180.17 1cw3 h ILE 232 N 0.87 1.34 -0.69 0.00 2.04 -0.93 -1.96 117.51 118.18 1cw3 h ILE 232 Ca 0.29 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1cw3 h ILE 232 Cb 0.04 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1cw3 h ILE 232 CO -0.12 0.34 0.46 0.00 0.00 0.00 0.00 178.15 178.83 1cw3 h ALA 233 N 0.62 1.54 -0.14 1.87 0.00 -0.89 -2.74 119.26 119.53 1cw3 h ALA 233 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cw3 h ALA 233 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cw3 h ALA 233 CO 0.02 0.41 0.00 0.43 0.00 0.00 0.00 179.25 180.11 1cw3 n SER 234 N -4.44 2.70 -4.70 0.00 7.64 0.40 -3.89 113.62 111.33 1cw3 n SER 234 Ca 0.08 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.66 1cw3 n SER 234 Cb 0.07 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 1cw3 n SER 234 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1cw3 s HIS 235 N -1.84 2.71 -1.23 1.43 5.04 -0.74 -4.78 115.29 115.88 1cw3 s HIS 235 Ca 0.33 0.55 0.10 0.00 -1.54 0.00 0.00 55.06 54.51 1cw3 s HIS 235 Cb 0.21 -3.85 0.49 0.00 0.04 0.00 0.00 32.58 29.46 1cw3 s HIS 235 CO 0.31 -3.29 1.28 0.39 -2.34 0.00 0.00 174.74 171.08 1cw3 n GLU 236 N 5.13 0.08 -0.01 2.88 -0.58 -1.26 -2.69 120.64 124.19 1cw3 n GLU 236 Ca 0.14 0.25 0.02 0.00 -0.42 0.00 0.00 57.16 57.15 1cw3 n GLU 236 Cb 0.41 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.81 1cw3 n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cw3 n ASP 237 N -1.39 2.04 -4.60 1.62 2.03 -1.26 -4.86 116.55 110.12 1cw3 n ASP 237 Ca 0.04 -2.19 -0.39 0.00 0.52 0.00 0.00 54.79 52.76 1cw3 n ASP 237 Cb 0.10 -0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 1cw3 n ASP 237 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1cw3 s VAL 238 N -1.34 5.18 0.18 5.18 1.01 -1.09 -4.75 120.40 124.76 1cw3 s VAL 238 Ca 0.06 0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1cw3 s VAL 238 Cb 0.05 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1cw3 s VAL 238 CO 0.01 0.16 1.42 0.44 0.00 0.00 0.00 175.10 177.12 1cw3 h ASP 239 N 8.18 0.21 -4.60 3.32 3.32 -1.40 -3.43 116.42 122.03 1cw3 h ASP 239 Ca -0.32 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1cw3 h ASP 239 Cb 1.16 -0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 1cw3 h ASP 239 CO 0.64 0.94 -0.32 -0.75 -1.72 0.00 0.00 179.24 178.03 1cw3 s LYS 240 N -3.29 0.55 -0.03 3.56 2.36 -0.80 -1.79 119.74 120.30 1cw3 s LYS 240 Ca -0.03 0.00 0.05 0.00 -2.55 0.00 0.00 55.97 53.44 1cw3 s LYS 240 Cb 0.11 0.25 -0.01 0.00 -1.05 0.00 0.00 37.83 37.13 1cw3 s LYS 240 CO 0.82 -0.13 -0.17 0.08 1.55 0.00 0.00 175.35 177.50 1cw3 s VAL 241 N -0.82 1.36 -0.16 4.02 1.01 0.53 0.04 120.40 126.38 1cw3 s VAL 241 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1cw3 s VAL 241 Cb -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1cw3 s VAL 241 CO 0.03 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.41 1cw3 s ALA 242 N -0.15 1.71 0.06 5.51 0.00 -0.17 -2.37 121.76 126.34 1cw3 s ALA 242 Ca 0.01 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1cw3 s ALA 242 Cb -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1cw3 s ALA 242 CO 0.01 -0.57 -0.26 0.12 0.00 0.00 0.00 175.76 175.06 1cw3 s PHE 243 N 1.54 2.26 -0.10 0.00 5.36 -0.89 -1.52 117.98 124.63 1cw3 s PHE 243 Ca 0.03 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.57 1cw3 s PHE 243 Cb -0.14 -1.32 0.04 0.00 -0.34 0.00 0.00 43.02 41.25 1cw3 s PHE 243 CO -0.09 0.17 0.02 0.99 -1.46 0.00 0.00 175.22 174.85 1cw3 s THR 244 N -0.86 0.32 -1.37 0.12 2.01 -0.69 -0.71 115.64 114.45 1cw3 s THR 244 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1cw3 s THR 244 Cb -0.10 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1cw3 s THR 244 CO 0.03 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1cw3 n GLY 245 N 5.15 -0.67 3.77 4.40 0.00 -0.81 -3.27 105.19 113.76 1cw3 n GLY 245 Ca -0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1cw3 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 246 N -4.00 5.80 0.32 1.61 1.04 -1.26 -3.31 113.70 113.89 1cw3 s SER 246 Ca 0.00 2.22 0.03 0.00 0.48 0.00 0.00 55.95 58.67 1cw3 s SER 246 Cb 0.00 -2.59 0.60 0.00 0.10 0.00 0.00 66.02 64.14 1cw3 s SER 246 CO 0.00 -1.17 1.91 0.74 0.98 0.00 0.00 173.24 175.70 1cw3 h THR 247 N 1.33 1.01 -0.05 2.02 2.02 -1.92 -2.06 112.91 115.27 1cw3 h THR 247 Ca -0.50 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1cw3 h THR 247 Cb 1.26 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1cw3 h THR 247 CO 0.58 0.17 -0.33 -0.33 0.37 0.00 0.00 175.52 175.97 1cw3 h GLU 248 N 0.94 -0.37 0.00 6.66 4.39 -1.96 -1.50 114.58 122.74 1cw3 h GLU 248 Ca 0.40 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1cw3 h GLU 248 Cb 0.31 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1cw3 h GLU 248 CO -0.16 -0.25 -0.10 0.82 -1.16 0.00 0.00 179.01 178.16 1cw3 h ILE 249 N -0.38 0.70 -0.83 3.13 1.08 -1.88 -1.75 117.51 117.57 1cw3 h ILE 249 Ca 0.01 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1cw3 h ILE 249 Cb 0.43 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1cw3 h ILE 249 CO -0.25 0.10 0.50 1.23 -0.69 0.00 0.00 178.15 179.04 1cw3 h GLY 250 N 0.56 1.21 0.94 5.37 0.00 -0.57 0.11 103.07 110.68 1cw3 h GLY 250 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1cw3 h GLY 250 CO 0.01 0.49 0.13 3.21 0.00 0.00 0.00 176.54 180.38 1cw3 h ARG 251 N 1.15 0.60 -0.92 4.80 3.08 -0.77 -1.67 114.38 120.65 1cw3 h ARG 251 Ca 0.30 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1cw3 h ARG 251 Cb -0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1cw3 h ARG 251 CO -0.06 0.59 0.60 0.28 -1.07 0.00 0.00 179.97 180.32 1cw3 h VAL 252 N 0.48 1.24 -0.08 2.04 2.07 -1.16 -1.58 116.25 119.27 1cw3 h VAL 252 Ca 0.13 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1cw3 h VAL 252 Cb 0.24 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1cw3 h VAL 252 CO -0.01 0.23 0.02 0.40 0.02 0.00 0.00 177.57 178.24 1cw3 h ILE 253 N 1.25 1.19 -0.65 4.57 1.08 -0.52 -0.68 117.51 123.74 1cw3 h ILE 253 Ca 0.34 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1cw3 h ILE 253 Cb -0.13 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1cw3 h ILE 253 CO -0.07 0.16 0.23 -0.61 -0.69 0.00 0.00 178.15 177.16 1cw3 h GLN 254 N -0.08 0.97 -0.40 2.37 4.15 -1.17 -1.68 115.11 119.27 1cw3 h GLN 254 Ca 0.02 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1cw3 h GLN 254 Cb 0.24 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1cw3 h GLN 254 CO 0.00 0.82 0.10 0.28 -1.93 0.00 0.00 178.83 178.10 1cw3 h VAL 255 N 0.95 1.23 -0.59 2.39 2.07 -1.15 -1.87 116.25 119.28 1cw3 h VAL 255 Ca 0.22 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1cw3 h VAL 255 Cb 0.24 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1cw3 h VAL 255 CO -0.01 0.27 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1cw3 h ALA 256 N 0.95 0.77 -0.58 1.67 0.00 -0.76 -0.14 119.26 121.16 1cw3 h ALA 256 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1cw3 h ALA 256 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1cw3 h ALA 256 CO 0.00 0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.39 1cw3 h ALA 257 N 1.29 1.12 -0.17 0.00 0.00 -1.16 -1.05 119.26 119.28 1cw3 h ALA 257 Ca 0.25 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1cw3 h ALA 257 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cw3 h ALA 257 CO -0.14 0.59 -0.56 0.78 0.00 0.00 0.00 179.25 179.92 1cw3 h GLY 258 N 1.01 0.57 2.00 0.00 0.00 -0.79 -0.73 103.07 105.13 1cw3 h GLY 258 Ca 0.18 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1cw3 h GLY 258 CO 0.00 0.60 -0.22 1.76 0.00 0.00 0.00 176.54 178.68 1cw3 h SER 259 N 0.40 0.00 0.00 0.19 0.02 -0.80 -3.41 113.55 109.95 1cw3 h SER 259 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1cw3 h SER 259 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1cw3 h SER 259 CO 0.10 0.22 0.00 -1.54 -1.14 0.00 0.00 176.83 174.48 1cw3 n SER 260 N -3.22 0.00 -1.89 3.07 3.41 -0.42 -4.95 113.62 109.62 1cw3 n SER 260 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.70 1cw3 n SER 260 Cb 0.54 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.90 1cw3 n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1cw3 n ASN 261 N 0.00 5.76 -2.89 4.04 6.94 -1.25 -4.94 115.26 122.92 1cw3 n ASN 261 Ca 0.00 -2.94 -0.22 0.00 -0.02 0.00 0.00 54.58 51.40 1cw3 n ASN 261 Cb 0.00 -0.69 0.03 0.00 -2.36 0.00 0.00 39.78 36.76 1cw3 n ASN 261 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1cw3 n LEU 262 N 0.61 -2.51 -4.76 -4.53 4.77 -0.29 -4.94 117.00 105.36 1cw3 n LEU 262 Ca 0.28 -0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 1cw3 n LEU 262 Cb 1.21 -2.96 0.02 0.00 -2.33 0.00 0.00 43.42 39.35 1cw3 n LEU 262 CO 0.33 0.13 0.99 -1.59 -1.33 0.00 0.00 177.39 175.92 1cw3 s LYS 263 N -5.57 3.52 0.35 3.23 -2.85 -1.24 -4.95 119.74 112.23 1cw3 s LYS 263 Ca 0.24 2.23 -0.28 0.00 -1.00 0.00 0.00 55.97 57.16 1cw3 s LYS 263 Cb -0.11 -2.48 -0.10 0.00 -2.06 0.00 0.00 37.83 33.09 1cw3 s LYS 263 CO 0.30 -0.89 1.28 1.03 0.10 0.00 0.00 175.35 177.17 1cw3 s ARG 264 N -2.63 4.25 0.01 1.78 3.00 -0.74 -4.79 118.95 119.83 1cw3 s ARG 264 Ca 0.65 2.15 0.03 0.00 0.00 0.00 0.00 55.73 58.56 1cw3 s ARG 264 Cb -0.40 -2.97 -0.01 0.00 0.00 0.00 0.00 34.95 31.57 1cw3 s ARG 264 CO 0.49 -0.25 -0.10 0.08 0.00 0.00 0.00 175.30 175.52 1cw3 s VAL 265 N -1.19 0.79 0.01 3.52 1.01 -1.26 -0.35 120.40 122.93 1cw3 s VAL 265 Ca 0.51 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1cw3 s VAL 265 Cb -0.38 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1cw3 s VAL 265 CO 0.50 0.06 -0.08 0.42 0.00 0.00 0.00 175.10 176.00 1cw3 s THR 266 N -0.56 0.60 -0.02 3.92 -4.23 -1.00 -4.94 115.64 109.40 1cw3 s THR 266 Ca 0.01 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1cw3 s THR 266 Cb -0.06 -0.54 -0.00 0.00 1.34 0.00 0.00 72.50 73.25 1cw3 s THR 266 CO 0.00 0.04 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.25 1cw3 s LEU 267 N -0.51 1.90 -0.59 4.79 1.43 -0.83 -2.08 118.68 122.79 1cw3 s LEU 267 Ca 0.00 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1cw3 s LEU 267 Cb -0.04 -0.67 0.15 0.00 0.03 0.00 0.00 46.19 45.65 1cw3 s LEU 267 CO 0.00 0.12 0.36 -1.61 0.23 0.00 0.00 176.35 175.44 1cw3 s GLU 268 N -0.01 2.09 0.00 1.70 0.41 0.11 -1.11 118.70 121.89 1cw3 s GLU 268 Ca -0.00 -2.86 0.00 0.00 -0.41 0.00 0.00 54.97 51.69 1cw3 s GLU 268 Cb -0.08 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1cw3 s GLU 268 CO 0.00 -1.20 0.00 1.28 -0.49 0.00 0.00 175.26 174.86 1cw3 n LEU 269 N 2.65 0.00 0.00 1.80 4.77 0.30 -1.93 117.00 124.59 1cw3 n LEU 269 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1cw3 n LEU 269 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1cw3 n LEU 269 CO 0.29 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1cw3 n GLY 270 N 5.00 0.59 3.88 -0.72 0.00 -1.21 -4.81 105.19 107.92 1cw3 n GLY 270 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1cw3 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cw3 s GLY 271 N -2.12 0.07 -0.36 -0.02 0.00 -1.22 -4.33 107.32 99.34 1cw3 s GLY 271 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 44.72 44.60 1cw3 s GLY 271 CO 0.00 2.47 0.92 1.17 0.00 0.00 0.00 173.10 177.66 1cw3 n LYS 272 N -0.70 1.07 -1.66 2.90 3.00 -1.26 -4.50 118.16 117.01 1cw3 n LYS 272 Ca -0.03 -3.07 -0.46 0.00 -0.00 0.00 0.00 58.31 54.75 1cw3 n LYS 272 Cb 0.59 -1.29 -0.04 0.00 0.00 0.00 0.00 35.03 34.29 1cw3 n LYS 272 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1cw3 n SER 273 N 0.05 3.01 -4.72 3.14 7.64 -1.23 -4.62 113.62 116.88 1cw3 n SER 273 Ca 0.14 1.09 -0.39 0.00 1.01 0.00 0.00 58.87 60.72 1cw3 n SER 273 Cb 0.75 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 1cw3 n SER 273 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1cw3 s PRO 274 N 0.85 4.38 -0.42 1.43 0.04 -1.26 -1.50 135.00 138.53 1cw3 s PRO 274 Ca 0.79 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 1cw3 s PRO 274 Cb -0.69 -3.43 0.10 0.00 0.04 0.00 0.00 34.50 30.51 1cw3 s PRO 274 CO 0.39 0.13 0.23 1.21 0.04 0.00 0.00 177.00 179.00 1cw3 s ASN 275 N 0.63 5.43 -0.27 6.66 3.04 0.65 -1.43 114.94 129.65 1cw3 s ASN 275 Ca 0.32 -1.80 -0.21 0.00 0.04 0.00 0.00 52.86 51.21 1cw3 s ASN 275 Cb -0.17 -1.90 -0.01 0.00 -1.54 0.00 0.00 41.25 37.63 1cw3 s ASN 275 CO 0.15 -0.55 0.66 -0.63 -3.04 0.00 0.00 177.10 173.69 1cw3 s ILE 276 N 1.28 4.94 -0.44 -5.21 1.01 0.74 -0.90 121.20 122.62 1cw3 s ILE 276 Ca 0.05 1.11 -0.09 0.00 0.00 0.00 0.00 60.65 61.72 1cw3 s ILE 276 Cb -0.23 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.35 1cw3 s ILE 276 CO -0.01 -0.05 0.30 -0.63 0.00 0.00 0.00 174.94 174.54 1cw3 s ILE 277 N 2.60 4.22 0.56 2.92 -1.09 0.11 -0.42 121.20 130.10 1cw3 s ILE 277 Ca 0.27 -1.57 -0.17 0.00 -2.23 0.00 0.00 60.65 56.95 1cw3 s ILE 277 Cb -0.15 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1cw3 s ILE 277 CO 0.10 -0.63 1.04 -0.04 -1.23 0.00 0.00 174.94 174.17 1cw3 s MET 278 N 1.40 3.55 0.49 2.79 -1.94 -0.30 -2.03 119.30 123.25 1cw3 s MET 278 Ca 0.04 1.18 0.20 0.00 -1.71 0.00 0.00 55.69 55.40 1cw3 s MET 278 Cb -0.24 -2.07 1.25 0.00 2.01 0.00 0.00 34.83 35.78 1cw3 s MET 278 CO 0.01 -0.62 2.00 0.66 -0.01 0.00 0.00 175.02 177.05 1cw3 h SER 279 N 0.75 0.14 -0.26 3.03 4.64 -1.89 -1.10 113.55 118.87 1cw3 h SER 279 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1cw3 h SER 279 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cw3 h SER 279 CO 0.59 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1cw3 n ASP 280 N -4.43 3.11 -4.84 4.97 5.75 -1.26 -4.91 116.55 114.95 1cw3 n ASP 280 Ca 0.09 -2.41 -0.33 0.00 -0.01 0.00 0.00 54.79 52.13 1cw3 n ASP 280 Cb 0.49 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 1cw3 n ASP 280 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cw3 s ALA 281 N -1.79 3.27 -0.51 2.12 0.00 -0.42 -3.46 121.76 120.98 1cw3 s ALA 281 Ca 0.24 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.07 1cw3 s ALA 281 Cb 0.19 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1cw3 s ALA 281 CO 0.07 0.29 1.97 0.34 0.00 0.00 0.00 175.76 178.43 1cw3 s ASP 282 N -2.18 5.26 0.12 0.00 -1.08 -1.26 -4.89 116.67 112.64 1cw3 s ASP 282 Ca 0.54 0.77 -0.28 0.00 -0.52 0.00 0.00 52.55 53.07 1cw3 s ASP 282 Cb -0.11 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.75 1cw3 s ASP 282 CO 0.17 -2.30 1.47 -0.03 0.52 0.00 0.00 175.17 175.00 1cw3 h MET 283 N 15.38 -0.23 -0.50 4.34 1.85 -1.94 0.20 114.93 134.04 1cw3 h MET 283 Ca -0.28 0.02 0.09 0.00 -0.61 0.00 0.00 59.70 58.92 1cw3 h MET 283 Cb 1.19 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 33.19 1cw3 h MET 283 CO 1.15 -0.15 0.03 -0.44 -0.40 0.00 0.00 176.91 177.10 1cw3 h ASP 284 N -0.24 -0.15 -0.47 1.39 3.32 -2.00 0.16 116.42 118.44 1cw3 h ASP 284 Ca 0.09 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1cw3 h ASP 284 Cb 0.46 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1cw3 h ASP 284 CO -0.61 -0.05 0.09 -0.25 -1.72 0.00 0.00 179.24 176.71 1cw3 h TRP 285 N 0.15 0.81 -0.49 4.55 -0.00 -1.84 -1.80 115.95 117.34 1cw3 h TRP 285 Ca 0.25 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1cw3 h TRP 285 Cb 0.37 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 1cw3 h TRP 285 CO -0.29 0.75 0.24 0.00 -0.00 0.00 0.00 178.44 179.14 1cw3 h ALA 286 N 0.97 0.63 0.17 2.65 0.00 -0.03 -0.03 119.26 123.62 1cw3 h ALA 286 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cw3 h ALA 286 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cw3 h ALA 286 CO 0.01 0.19 -0.08 0.28 0.00 0.00 0.00 179.25 179.64 1cw3 h VAL 287 N 0.64 0.91 -0.60 0.00 2.07 -0.91 0.93 116.25 119.29 1cw3 h VAL 287 Ca 0.17 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1cw3 h VAL 287 Cb 0.11 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1cw3 h VAL 287 CO -0.02 0.09 0.29 -0.08 0.02 0.00 0.00 177.57 177.86 1cw3 h GLU 288 N -0.41 0.87 -0.32 1.57 4.57 -1.28 -2.29 114.58 117.30 1cw3 h GLU 288 Ca -0.02 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1cw3 h GLU 288 Cb 0.32 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1cw3 h GLU 288 CO 0.04 0.70 -0.05 1.96 -1.18 0.00 0.00 179.01 180.48 1cw3 h GLN 289 N 0.82 0.60 -0.68 1.92 1.08 -0.95 -2.15 115.11 115.76 1cw3 h GLN 289 Ca 0.21 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1cw3 h GLN 289 Cb 0.13 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1cw3 h GLN 289 CO -0.03 0.77 0.37 0.00 -0.95 0.00 0.00 178.83 178.99 1cw3 h ALA 290 N 0.81 1.37 -0.23 3.87 0.00 -0.73 0.31 119.26 124.65 1cw3 h ALA 290 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 290 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cw3 h ALA 290 CO 0.03 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.15 1cw3 h HIS 291 N 0.95 0.34 -0.67 0.00 -0.00 -1.30 -2.50 115.15 111.97 1cw3 h HIS 291 Ca 0.24 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1cw3 h HIS 291 Cb 0.03 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1cw3 h HIS 291 CO 0.01 0.34 0.33 0.35 -0.00 0.00 0.00 177.93 178.97 1cw3 h PHE 292 N 0.24 0.95 -0.69 5.26 3.04 -0.69 0.24 116.94 125.30 1cw3 h PHE 292 Ca 0.08 -0.04 0.15 0.00 3.98 0.00 0.00 57.97 62.14 1cw3 h PHE 292 Cb 0.13 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.31 1cw3 h PHE 292 CO -0.02 0.70 0.47 0.00 -2.02 0.00 0.00 178.31 177.44 1cw3 h ALA 293 N 1.16 2.26 0.00 2.41 0.00 -0.13 -1.99 119.26 122.97 1cw3 h ALA 293 Ca 0.23 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.73 1cw3 h ALA 293 Cb 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1cw3 h ALA 293 CO -0.03 -0.45 -2.36 -0.11 0.00 0.00 0.00 179.25 176.29 1cw3 n LEU 294 N -4.44 1.95 0.00 0.00 7.94 -0.97 -1.11 117.00 120.38 1cw3 n LEU 294 Ca 0.13 0.22 0.11 0.00 -1.11 0.00 0.00 56.01 55.37 1cw3 n LEU 294 Cb 0.57 -0.74 0.50 0.00 0.53 0.00 0.00 43.42 44.28 1cw3 n LEU 294 CO 0.34 0.58 0.87 0.49 -1.11 0.00 0.00 177.39 178.56 1cw3 n PHE 295 N -3.94 0.00 -1.69 1.96 3.01 0.05 -3.70 117.46 113.15 1cw3 n PHE 295 Ca -0.47 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.56 1cw3 n PHE 295 Cb 0.86 -0.48 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1cw3 n PHE 295 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1cw3 n PHE 296 N -1.48 2.24 -3.86 1.38 -0.00 -0.75 -2.41 117.46 112.58 1cw3 n PHE 296 Ca 0.06 0.50 -0.25 0.00 -0.00 0.00 0.00 57.45 57.76 1cw3 n PHE 296 Cb 0.26 -2.43 0.01 0.00 -0.00 0.00 0.00 39.48 37.32 1cw3 n PHE 296 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1cw3 n ASN 297 N 1.31 -1.73 -2.73 -2.13 5.15 -1.26 -0.41 115.26 113.47 1cw3 n ASN 297 Ca 0.07 -0.88 -0.18 0.00 -0.60 0.00 0.00 54.58 52.99 1cw3 n ASN 297 Cb 0.34 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.98 1cw3 n ASN 297 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cw3 n GLN 298 N -4.40 -2.87 -0.94 1.20 3.00 -1.01 -0.31 117.38 112.05 1cw3 n GLN 298 Ca -0.21 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1cw3 n GLN 298 Cb 0.64 -5.41 0.00 0.00 0.00 0.00 0.00 30.24 25.47 1cw3 n GLN 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1cw3 n GLY 299 N -1.06 0.31 2.73 1.08 0.00 0.46 -3.23 105.19 105.47 1cw3 n GLY 299 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1cw3 n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cw3 n GLN 300 N -1.25 4.49 -4.10 1.61 6.02 0.57 -3.29 117.38 121.43 1cw3 n GLN 300 Ca 0.00 -3.96 -0.19 0.00 -0.01 0.00 0.00 57.00 52.83 1cw3 n GLN 300 Cb 0.19 -2.65 -0.16 0.00 1.02 0.00 0.00 30.24 28.63 1cw3 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 s ALA 304 N -2.96 3.67 -1.23 0.00 0.00 -0.70 -4.82 121.76 115.72 1cw3 s ALA 304 Ca 0.55 1.60 -0.19 0.00 0.00 0.00 0.00 51.96 53.92 1cw3 s ALA 304 Cb 0.44 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.98 1cw3 s ALA 304 CO 0.14 -1.05 1.68 0.20 0.00 0.00 0.00 175.76 176.74 1cw3 s GLY 305 N 0.20 1.51 0.00 0.00 0.00 -0.26 -3.57 107.32 105.20 1cw3 s GLY 305 Ca 0.58 -2.74 0.29 0.00 0.00 0.00 0.00 44.72 42.85 1cw3 s GLY 305 CO 0.56 2.75 2.01 -1.14 0.00 0.00 0.00 173.10 177.27 1cw3 n SER 306 N 8.71 0.49 -3.60 1.64 3.41 -0.56 -4.36 113.62 119.36 1cw3 n SER 306 Ca 0.45 -1.22 -0.29 0.00 -0.26 0.00 0.00 58.87 57.55 1cw3 n SER 306 Cb 0.47 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 1cw3 n SER 306 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1cw3 s ARG 307 N -1.99 1.03 -0.75 4.33 0.52 -1.07 -3.95 118.95 117.07 1cw3 s ARG 307 Ca 0.42 -1.83 -0.23 0.00 -0.52 0.00 0.00 55.73 53.57 1cw3 s ARG 307 Cb 0.20 -1.91 0.07 0.00 0.52 0.00 0.00 34.95 33.83 1cw3 s ARG 307 CO 0.34 -1.21 1.10 0.99 0.02 0.00 0.00 175.30 176.54 1cw3 s THR 308 N 0.50 4.23 -0.16 0.02 2.01 -0.28 -0.25 115.64 121.72 1cw3 s THR 308 Ca 0.20 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 1cw3 s THR 308 Cb -0.20 -4.78 -0.01 0.00 0.01 0.00 0.00 72.50 67.51 1cw3 s THR 308 CO -0.02 -1.59 0.86 -0.36 -0.69 0.00 0.00 174.62 172.82 1cw3 s PHE 309 N 4.26 3.44 -0.07 4.92 0.40 -0.08 -0.92 117.98 129.93 1cw3 s PHE 309 Ca 0.29 1.32 0.03 0.00 -0.60 0.00 0.00 56.93 57.97 1cw3 s PHE 309 Cb -0.12 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.38 1cw3 s PHE 309 CO 0.06 -0.23 -0.17 0.08 0.70 0.00 0.00 175.22 175.66 1cw3 s VAL 310 N 2.10 1.44 0.29 -0.44 1.01 0.02 0.10 120.40 124.92 1cw3 s VAL 310 Ca 0.40 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1cw3 s VAL 310 Cb -0.17 -1.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.83 1cw3 s VAL 310 CO 0.13 0.42 1.57 -1.58 0.00 0.00 0.00 175.10 175.65 1cw3 s GLN 311 N 0.37 4.14 0.46 2.72 -0.44 -0.86 -1.83 119.66 124.22 1cw3 s GLN 311 Ca -0.12 2.54 0.28 0.00 -2.50 0.00 0.00 55.36 55.56 1cw3 s GLN 311 Cb -0.15 -3.04 1.34 0.00 -1.64 0.00 0.00 33.01 29.53 1cw3 s GLN 311 CO 0.04 -0.60 1.75 1.05 0.50 0.00 0.00 175.29 178.03 1cw3 h GLU 312 N 4.90 0.18 -0.05 1.67 4.11 -0.91 -1.09 114.58 123.39 1cw3 h GLU 312 Ca -0.47 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.87 1cw3 h GLU 312 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1cw3 h GLU 312 CO 0.79 0.12 -0.36 -0.44 0.07 0.00 0.00 179.01 179.20 1cw3 h ASP 313 N 0.19 0.09 -0.11 3.06 3.32 -1.90 -3.13 116.42 117.94 1cw3 h ASP 313 Ca 0.64 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1cw3 h ASP 313 Cb 2.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.57 1cw3 h ASP 313 CO -0.20 0.45 0.00 2.30 -1.72 0.00 0.00 179.24 180.07 1cw3 n ILE 314 N -4.09 0.30 -0.00 0.35 -5.35 -0.57 -4.79 119.36 105.20 1cw3 n ILE 314 Ca -0.02 -0.65 -0.04 0.00 -0.27 0.00 0.00 62.75 61.77 1cw3 n ILE 314 Cb 0.41 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1cw3 n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1cw3 h TYR 315 N 2.04 -0.42 -0.74 4.28 5.03 -1.19 -1.09 116.97 124.87 1cw3 h TYR 315 Ca 0.00 0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.49 1cw3 h TYR 315 Cb 0.53 0.19 -0.12 0.00 1.55 0.00 0.00 36.73 38.88 1cw3 h TYR 315 CO 0.07 -0.14 0.14 -0.44 -1.32 0.00 0.00 178.16 176.46 1cw3 h ASP 316 N -0.16 -0.08 0.16 -2.11 3.32 -1.87 0.17 116.42 115.86 1cw3 h ASP 316 Ca 0.01 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1cw3 h ASP 316 Cb 0.18 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1cw3 h ASP 316 CO -0.11 -0.08 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.17 1cw3 h GLU 317 N 0.22 -0.21 -0.23 3.56 4.81 -1.87 -0.47 114.58 120.39 1cw3 h GLU 317 Ca 0.42 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.70 1cw3 h GLU 317 Cb 0.74 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1cw3 h GLU 317 CO -0.56 -0.12 0.02 0.35 -0.73 0.00 0.00 179.01 177.97 1cw3 h PHE 318 N -0.24 0.03 -0.17 0.92 3.57 -0.12 -1.25 116.94 119.68 1cw3 h PHE 318 Ca -0.02 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1cw3 h PHE 318 Cb 0.19 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1cw3 h PHE 318 CO -0.06 -0.01 -0.03 0.28 -2.23 0.00 0.00 178.31 176.26 1cw3 h VAL 319 N 0.10 0.84 -0.08 1.41 2.07 -0.54 0.59 116.25 120.65 1cw3 h VAL 319 Ca 0.11 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1cw3 h VAL 319 Cb 0.12 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1cw3 h VAL 319 CO -0.16 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.23 1cw3 h GLU 320 N 0.02 -0.16 -0.80 1.57 4.81 -0.74 -0.74 114.58 118.54 1cw3 h GLU 320 Ca 0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1cw3 h GLU 320 Cb 0.12 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1cw3 h GLU 320 CO -0.16 -0.11 0.35 0.00 -0.73 0.00 0.00 179.01 178.36 1cw3 h ARG 321 N -0.17 1.17 -0.53 1.92 3.08 -0.98 -2.13 114.38 116.76 1cw3 h ARG 321 Ca 0.07 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1cw3 h ARG 321 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1cw3 h ARG 321 CO -0.18 0.92 0.28 0.77 -1.07 0.00 0.00 179.97 180.70 1cw3 h SER 322 N 1.15 0.67 -0.67 7.04 0.02 -0.45 -0.64 113.55 120.66 1cw3 h SER 322 Ca 0.27 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1cw3 h SER 322 Cb 0.16 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1cw3 h SER 322 CO -0.03 0.58 0.21 0.58 -1.14 0.00 0.00 176.83 177.03 1cw3 h VAL 323 N 0.71 1.25 -0.80 2.27 2.07 -0.93 -0.82 116.25 120.00 1cw3 h VAL 323 Ca 0.18 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1cw3 h VAL 323 Cb 0.07 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1cw3 h VAL 323 CO -0.03 0.34 0.43 0.00 0.02 0.00 0.00 177.57 178.33 1cw3 h ALA 324 N 1.09 1.03 -0.35 1.67 0.00 -1.04 -0.74 119.26 120.91 1cw3 h ALA 324 Ca 0.22 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1cw3 h ALA 324 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cw3 h ALA 324 CO -0.01 0.55 -0.11 -0.09 0.00 0.00 0.00 179.25 179.59 1cw3 h ARG 325 N 1.12 0.70 -0.67 0.00 9.65 -0.80 -2.66 114.38 121.72 1cw3 h ARG 325 Ca 0.28 -0.28 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1cw3 h ARG 325 Cb 0.05 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1cw3 h ARG 325 CO -0.04 0.87 0.11 0.00 2.80 0.00 0.00 179.97 183.71 1cw3 h ALA 326 N 0.81 0.88 -0.19 2.80 0.00 -0.97 -2.79 119.26 119.80 1cw3 h ALA 326 Ca 0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1cw3 h ALA 326 Cb 0.63 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1cw3 h ALA 326 CO 0.04 0.65 -0.18 0.87 0.00 0.00 0.00 179.25 180.63 1cw3 h LYS 327 N 1.02 0.32 -0.00 0.00 1.57 -1.07 -2.72 116.57 115.69 1cw3 h LYS 327 Ca 0.20 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1cw3 h LYS 327 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1cw3 h LYS 327 CO 0.01 0.50 -0.15 -1.13 -0.57 0.00 0.00 179.45 178.11 1cw3 n SER 328 N -4.20 0.52 -4.61 0.86 3.41 -1.01 -4.85 113.62 103.74 1cw3 n SER 328 Ca -0.00 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.66 1cw3 n SER 328 Cb 0.33 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1cw3 n SER 328 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1cw3 s ARG 329 N -2.55 3.39 -0.10 4.33 3.52 -1.03 -4.93 118.95 121.58 1cw3 s ARG 329 Ca 0.26 1.74 -0.29 0.00 -0.13 0.00 0.00 55.73 57.30 1cw3 s ARG 329 Cb 0.20 -4.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 1cw3 s ARG 329 CO 0.50 -1.79 1.60 0.08 -0.81 0.00 0.00 175.30 174.88 1cw3 s VAL 330 N 6.93 3.69 -0.15 7.11 1.01 -1.26 -4.92 120.40 132.81 1cw3 s VAL 330 Ca 0.86 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 1cw3 s VAL 330 Cb -0.28 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1cw3 s VAL 330 CO 0.34 -0.11 -0.03 -0.69 0.00 0.00 0.00 175.10 174.60 1cw3 s VAL 331 N 4.24 3.96 -1.62 2.92 1.01 -1.26 -1.18 120.40 128.47 1cw3 s VAL 331 Ca 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1cw3 s VAL 331 Cb -0.30 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1cw3 s VAL 331 CO 0.28 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.49 1cw3 n GLY 332 N 3.34 -0.56 3.61 4.51 0.00 -0.60 -4.98 105.19 110.50 1cw3 n GLY 332 Ca -0.17 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 1cw3 n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cw3 n ASN 333 N 0.00 3.34 0.18 1.61 5.15 -1.26 -4.37 115.26 119.92 1cw3 n ASN 333 Ca 0.00 0.56 0.10 0.00 -0.60 0.00 0.00 54.58 54.63 1cw3 n ASN 333 Cb 0.00 -1.47 0.51 0.00 -0.53 0.00 0.00 39.78 38.30 1cw3 n ASN 333 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cw3 h PRO 334 N 12.41 0.00 0.00 1.20 0.13 -1.88 -0.23 132.00 143.63 1cw3 h PRO 334 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1cw3 h PRO 334 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1cw3 h PRO 334 CO 0.96 0.00 -0.58 0.74 -0.23 0.00 0.00 178.00 178.89 1cw3 h PHE 335 N 0.00 0.00 -3.20 1.56 -1.00 -1.89 -0.26 116.94 112.16 1cw3 h PHE 335 Ca 0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 1cw3 h PHE 335 Cb 0.37 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.87 1cw3 h PHE 335 CO 0.00 0.00 0.62 0.34 -1.61 0.00 0.00 178.31 177.66 1cw3 s ASP 336 N -4.40 7.06 0.53 2.17 -1.08 -0.10 -4.92 116.67 115.94 1cw3 s ASP 336 Ca 0.06 1.32 0.30 0.00 -0.52 0.00 0.00 52.55 53.71 1cw3 s ASP 336 Cb 0.13 -2.51 1.61 0.00 -1.46 0.00 0.00 42.92 40.68 1cw3 s ASP 336 CO 0.71 -0.54 1.89 0.77 0.52 0.00 0.00 175.17 178.52 1cw3 h SER 337 N 7.38 0.00 1.26 -0.34 4.64 -1.86 -0.66 113.55 123.97 1cw3 h SER 337 Ca -0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1cw3 h SER 337 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1cw3 h SER 337 CO 0.91 0.00 -0.41 0.50 -0.87 0.00 0.00 176.83 176.96 1cw3 h LYS 338 N 0.00 0.00 -6.63 4.77 1.63 -1.92 -3.46 116.57 110.96 1cw3 h LYS 338 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 1cw3 h LYS 338 Cb 0.32 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1cw3 h LYS 338 CO 0.00 0.41 0.77 0.99 -3.45 0.00 0.00 179.45 178.17 1cw3 s THR 339 N -3.24 2.91 -0.14 1.00 2.01 -0.26 -4.78 115.64 113.14 1cw3 s THR 339 Ca 0.03 0.69 0.13 0.00 0.31 0.00 0.00 61.69 62.85 1cw3 s THR 339 Cb 0.09 -3.44 -0.18 0.00 0.01 0.00 0.00 72.50 68.97 1cw3 s THR 339 CO 0.71 0.07 0.06 -0.62 -0.69 0.00 0.00 174.62 174.15 1cw3 n GLU 340 N 3.37 1.55 -3.96 4.92 1.02 -0.33 -4.93 120.64 122.28 1cw3 n GLU 340 Ca 0.10 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.03 1cw3 n GLU 340 Cb 0.41 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 1cw3 n GLU 340 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1cw3 s GLN 341 N -2.38 0.61 0.00 3.49 0.74 -0.54 -4.86 119.66 116.71 1cw3 s GLN 341 Ca -0.07 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.36 1cw3 s GLN 341 Cb 0.05 -0.80 0.00 0.00 1.10 0.00 0.00 33.01 33.36 1cw3 s GLN 341 CO 0.61 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 1cw3 n GLY 342 N 4.49 1.23 3.93 2.59 0.00 -1.26 -1.56 105.19 114.61 1cw3 n GLY 342 Ca -0.18 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 1cw3 n GLY 342 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cw3 s PRO 343 N 2.26 2.89 0.77 1.61 0.04 -1.25 -4.75 135.00 136.57 1cw3 s PRO 343 Ca 0.00 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 1cw3 s PRO 343 Cb 0.00 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1cw3 s PRO 343 CO 0.00 -0.61 1.09 -0.65 0.04 0.00 0.00 177.00 176.87 1cw3 s GLN 344 N -4.86 2.29 0.24 4.56 -1.52 0.03 -4.64 119.66 115.76 1cw3 s GLN 344 Ca 0.53 1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 54.96 1cw3 s GLN 344 Cb -0.10 -1.91 0.39 0.00 -0.22 0.00 0.00 33.01 31.17 1cw3 s GLN 344 CO 0.42 -1.59 1.79 -0.24 -0.25 0.00 0.00 175.29 175.42 1cw3 h VAL 345 N -1.09 0.86 -3.43 1.09 3.04 -1.90 -3.43 116.25 111.39 1cw3 h VAL 345 Ca -0.44 -0.24 -0.10 0.00 -1.01 0.00 0.00 66.70 64.91 1cw3 h VAL 345 Cb 1.23 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.59 1cw3 h VAL 345 CO 0.53 0.13 0.08 1.51 -1.01 0.00 0.00 177.57 178.81 1cw3 s ASP 346 N -5.54 0.28 0.28 3.17 1.47 -1.26 -4.39 116.67 110.68 1cw3 s ASP 346 Ca -0.12 -1.20 -0.03 0.00 1.18 0.00 0.00 52.55 52.38 1cw3 s ASP 346 Cb 0.19 0.76 0.37 0.00 -0.34 0.00 0.00 42.92 43.90 1cw3 s ASP 346 CO 0.77 -1.49 1.91 -0.08 0.68 0.00 0.00 175.17 176.97 1cw3 h GLU 347 N 2.06 1.08 0.00 2.11 4.81 -1.98 -1.08 114.58 121.59 1cw3 h GLU 347 Ca -0.29 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1cw3 h GLU 347 Cb 1.25 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1cw3 h GLU 347 CO 0.38 0.78 -0.14 1.15 -0.73 0.00 0.00 179.01 180.45 1cw3 h THR 348 N 1.10 0.65 -0.25 0.32 2.02 -1.99 0.01 112.91 114.76 1cw3 h THR 348 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 1cw3 h THR 348 Cb -0.00 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1cw3 h THR 348 CO -0.05 0.00 0.08 1.56 0.37 0.00 0.00 175.52 177.48 1cw3 h GLN 349 N -0.24 0.39 -0.46 6.66 1.08 -1.93 -0.72 115.11 119.88 1cw3 h GLN 349 Ca 0.05 -0.09 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 1cw3 h GLN 349 Cb 0.30 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.58 1cw3 h GLN 349 CO -0.14 0.47 -0.29 0.35 -0.95 0.00 0.00 178.83 178.27 1cw3 h PHE 350 N 0.24 -0.77 -0.46 2.96 3.57 -0.96 0.11 116.94 121.63 1cw3 h PHE 350 Ca 0.08 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1cw3 h PHE 350 Cb 0.24 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1cw3 h PHE 350 CO 0.00 -0.35 0.09 0.87 -2.23 0.00 0.00 178.31 176.69 1cw3 h LYS 351 N -0.19 0.76 -0.65 1.11 1.57 -0.87 -2.21 116.57 116.10 1cw3 h LYS 351 Ca 0.20 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1cw3 h LYS 351 Cb 0.52 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1cw3 h LYS 351 CO -0.57 0.77 0.38 -0.22 -0.57 0.00 0.00 179.45 179.24 1cw3 h LYS 352 N 0.63 0.71 -0.14 3.15 3.64 -0.09 -0.23 116.57 124.24 1cw3 h LYS 352 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1cw3 h LYS 352 Cb 0.37 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1cw3 h LYS 352 CO 0.01 0.47 0.05 0.82 -2.27 0.00 0.00 179.45 178.53 1cw3 h ILE 353 N 0.73 1.16 -0.82 2.00 2.04 -0.67 -1.46 117.51 120.50 1cw3 h ILE 353 Ca 0.27 -0.47 0.13 0.00 1.00 0.00 0.00 64.86 65.79 1cw3 h ILE 353 Cb 0.09 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1cw3 h ILE 353 CO -0.13 0.14 0.53 -0.07 0.00 0.00 0.00 178.15 178.62 1cw3 h LEU 354 N 0.07 0.56 -0.37 1.44 3.38 -0.90 0.61 115.31 120.10 1cw3 h LEU 354 Ca 0.05 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1cw3 h LEU 354 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1cw3 h LEU 354 CO -0.00 0.29 0.02 1.23 0.09 0.00 0.00 178.44 180.07 1cw3 h GLY 355 N 0.60 0.69 1.18 0.83 0.00 -0.46 -1.74 103.07 104.17 1cw3 h GLY 355 Ca 0.40 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1cw3 h GLY 355 CO -0.16 0.46 0.10 -0.97 0.00 0.00 0.00 176.54 175.97 1cw3 h TYR 356 N 0.46 1.07 -0.24 5.60 0.99 0.03 -0.78 116.97 124.10 1cw3 h TYR 356 Ca 0.11 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1cw3 h TYR 356 Cb 0.44 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1cw3 h TYR 356 CO 0.03 0.90 0.13 0.82 -0.00 0.00 0.00 178.16 180.05 1cw3 h ILE 357 N 0.95 1.11 -0.72 -2.88 2.04 -0.84 -0.12 117.51 117.06 1cw3 h ILE 357 Ca 0.19 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1cw3 h ILE 357 Cb 0.41 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1cw3 h ILE 357 CO 0.01 0.11 0.34 -1.13 0.00 0.00 0.00 178.15 177.48 1cw3 h ASN 358 N 0.28 0.92 -0.47 1.72 -0.73 -1.08 -2.17 115.58 114.05 1cw3 h ASN 358 Ca 0.08 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1cw3 h ASN 358 Cb 0.06 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 1cw3 h ASN 358 CO -0.01 0.79 0.26 0.74 -0.37 0.00 0.00 177.43 178.83 1cw3 h THR 359 N 1.01 1.16 -0.45 -3.57 2.02 -0.73 -0.77 112.91 111.60 1cw3 h THR 359 Ca 0.25 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1cw3 h THR 359 Cb 0.11 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1cw3 h THR 359 CO -0.03 0.17 0.27 1.23 0.37 0.00 0.00 175.52 177.53 1cw3 h GLY 360 N 0.62 0.62 0.99 2.16 0.00 -0.51 -0.53 103.07 106.43 1cw3 h GLY 360 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1cw3 h GLY 360 CO -0.03 0.18 0.33 0.50 0.00 0.00 0.00 176.54 177.52 1cw3 h LYS 361 N 0.54 0.83 -0.67 4.80 1.57 -1.16 -2.17 116.57 120.32 1cw3 h LYS 361 Ca 0.18 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1cw3 h LYS 361 Cb -0.00 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1cw3 h LYS 361 CO -0.07 0.63 0.44 0.37 -0.57 0.00 0.00 179.45 180.25 1cw3 h GLN 362 N 0.81 0.80 -0.00 3.15 5.75 -0.69 -2.29 115.11 122.64 1cw3 h GLN 362 Ca 0.21 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1cw3 h GLN 362 Cb 0.04 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.41 1cw3 h GLN 362 CO -0.03 0.53 -0.10 0.39 -2.65 0.00 0.00 178.83 176.97 1cw3 n GLU 363 N -4.45 0.02 -0.08 1.69 1.02 -0.25 -4.93 120.64 113.66 1cw3 n GLU 363 Ca 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1cw3 n GLU 363 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1cw3 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw3 n GLY 364 N 1.49 0.95 3.74 0.62 0.00 -0.86 -5.07 105.19 106.06 1cw3 n GLY 364 Ca 0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cw3 n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cw3 s ALA 365 N -2.00 3.30 -0.52 4.61 0.00 -0.85 -4.98 121.76 121.32 1cw3 s ALA 365 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 1cw3 s ALA 365 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1cw3 s ALA 365 CO 0.00 0.02 1.51 0.21 0.00 0.00 0.00 175.76 177.51 1cw3 s LYS 366 N -0.09 3.26 -0.20 0.00 2.20 -0.80 -4.51 119.74 119.61 1cw3 s LYS 366 Ca 0.43 0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 56.42 1cw3 s LYS 366 Cb -0.22 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 1cw3 s LYS 366 CO 0.27 -1.97 1.57 -1.17 -0.36 0.00 0.00 175.35 173.69 1cw3 s LEU 367 N 6.43 3.98 -0.03 5.43 2.96 -1.26 0.01 118.68 136.20 1cw3 s LEU 367 Ca 0.59 1.68 0.18 0.00 -0.22 0.00 0.00 54.13 56.36 1cw3 s LEU 367 Cb -0.13 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 1cw3 s LEU 367 CO 0.27 -1.15 0.54 0.18 -1.32 0.00 0.00 176.35 174.86 1cw3 n LEU 368 N 8.03 0.44 -3.64 -0.68 4.77 0.51 -4.95 117.00 121.48 1cw3 n LEU 368 Ca 0.18 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1cw3 n LEU 368 Cb 0.45 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1cw3 n LEU 368 CO 0.63 0.21 0.75 0.00 -1.33 0.00 0.00 177.39 177.65 1cw3 n GLY 370 N -0.36 2.91 0.46 0.00 0.00 -1.24 -3.00 105.19 103.96 1cw3 n GLY 370 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1cw3 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 371 N 0.00 0.79 0.17 -0.02 0.00 -1.26 -4.98 105.19 99.89 1cw3 n GLY 371 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1cw3 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 372 N -2.12 3.69 3.74 -0.02 0.00 -1.26 -4.94 105.19 104.28 1cw3 n GLY 372 Ca 0.00 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1cw3 n GLY 372 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cw3 s ILE 373 N -2.19 3.89 -0.26 -0.61 1.01 -1.26 -1.46 121.20 120.31 1cw3 s ILE 373 Ca 0.02 1.69 0.23 0.00 0.00 0.00 0.00 60.65 62.59 1cw3 s ILE 373 Cb 0.00 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.40 1cw3 s ILE 373 CO 0.01 0.32 1.07 0.00 0.00 0.00 0.00 174.94 176.34 1cw3 h ALA 374 N 4.86 0.51 -2.54 9.38 0.00 -1.23 -3.44 119.26 126.79 1cw3 h ALA 374 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1cw3 h ALA 374 Cb 1.21 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 1cw3 h ALA 374 CO 0.71 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.78 1cw3 s ALA 375 N -3.35 -0.84 -2.04 0.00 0.00 -1.25 -4.99 121.76 109.28 1cw3 s ALA 375 Ca -0.00 0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.21 1cw3 s ALA 375 Cb 0.10 0.34 0.36 0.00 0.00 0.00 0.00 23.12 23.91 1cw3 s ALA 375 CO 0.78 -0.44 1.27 -0.40 0.00 0.00 0.00 175.76 176.98 1cw3 n ASP 376 N 0.54 1.08 -3.79 0.00 5.75 -1.26 -4.73 116.55 114.14 1cw3 n ASP 376 Ca -0.19 -1.90 -0.13 0.00 -0.01 0.00 0.00 54.79 52.57 1cw3 n ASP 376 Cb 0.60 -0.12 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 1cw3 n ASP 376 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1cw3 s ARG 377 N -1.76 0.27 0.35 0.11 3.52 -1.26 -5.10 118.95 115.07 1cw3 s ARG 377 Ca 0.18 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1cw3 s ARG 377 Cb 0.09 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 1cw3 s ARG 377 CO 0.13 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 1cw3 n GLY 378 N 3.07 -2.45 2.72 8.12 0.00 -1.25 -4.57 105.19 110.83 1cw3 n GLY 378 Ca -0.14 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1cw3 n GLY 378 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cw3 n TYR 379 N -0.35 3.39 -3.01 1.61 4.02 -0.77 -4.96 117.16 117.09 1cw3 n TYR 379 Ca 0.00 -3.08 -0.40 0.00 -0.01 0.00 0.00 57.90 54.41 1cw3 n TYR 379 Cb 0.00 -0.61 -0.04 0.00 -0.02 0.00 0.00 39.34 38.67 1cw3 n TYR 379 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1cw3 s PHE 380 N -3.77 3.60 -0.03 -0.72 0.40 -1.26 -0.79 117.98 115.41 1cw3 s PHE 380 Ca 0.48 1.31 0.06 0.00 -0.60 0.00 0.00 56.93 58.18 1cw3 s PHE 380 Cb 0.34 -2.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.02 1cw3 s PHE 380 CO -0.22 0.09 -0.22 0.42 0.70 0.00 0.00 175.22 175.99 1cw3 s ILE 381 N 0.77 1.77 0.30 0.64 1.01 -1.26 -0.77 121.20 123.66 1cw3 s ILE 381 Ca 0.39 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 1cw3 s ILE 381 Cb -0.18 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 1cw3 s ILE 381 CO 0.19 0.50 1.32 -1.10 0.00 0.00 0.00 174.94 175.85 1cw3 s GLN 382 N -0.38 4.36 -0.04 2.79 -0.21 -0.54 -4.72 119.66 120.93 1cw3 s GLN 382 Ca 0.05 2.18 -0.32 0.00 0.02 0.00 0.00 55.36 57.29 1cw3 s GLN 382 Cb -0.10 -3.10 -0.10 0.00 1.00 0.00 0.00 33.01 30.71 1cw3 s GLN 382 CO 0.00 -0.21 1.94 -2.30 -2.12 0.00 0.00 175.29 172.60 1cw3 n PRO 383 N 1.32 2.49 -4.72 2.91 -0.02 -1.26 -4.14 135.00 131.58 1cw3 n PRO 383 Ca 0.02 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 62.08 1cw3 n PRO 383 Cb 0.42 -2.83 -0.12 0.00 -0.02 0.00 0.00 33.50 30.95 1cw3 n PRO 383 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cw3 s THR 384 N 4.37 3.45 -0.08 3.45 2.01 0.36 -3.71 115.64 125.50 1cw3 s THR 384 Ca 0.91 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1cw3 s THR 384 Cb -0.57 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.56 1cw3 s THR 384 CO 0.47 0.58 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.19 1cw3 s VAL 385 N -0.79 1.02 -0.19 3.82 1.01 -1.16 -0.39 120.40 123.71 1cw3 s VAL 385 Ca 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1cw3 s VAL 385 Cb -0.11 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1cw3 s VAL 385 CO 0.01 0.34 -0.11 -0.36 0.00 0.00 0.00 175.10 174.99 1cw3 s PHE 386 N 0.99 2.87 0.37 5.22 0.40 0.68 -0.37 117.98 128.14 1cw3 s PHE 386 Ca -0.09 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1cw3 s PHE 386 Cb -0.15 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.38 1cw3 s PHE 386 CO -0.00 -0.55 0.49 0.20 0.70 0.00 0.00 175.22 176.06 1cw3 s GLY 387 N 1.19 1.75 -1.41 4.36 0.00 0.10 -1.26 107.32 112.05 1cw3 s GLY 387 Ca 0.02 -1.56 -0.09 0.00 0.00 0.00 0.00 44.72 43.08 1cw3 s GLY 387 CO -0.04 -1.44 0.63 1.22 0.00 0.00 0.00 173.10 173.47 1cw3 n ASP 388 N -1.69 -4.52 -4.76 1.64 8.00 -1.04 -1.91 116.55 112.27 1cw3 n ASP 388 Ca 0.03 -0.46 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 1cw3 n ASP 388 Cb 0.59 -3.68 -0.03 0.00 -0.02 0.00 0.00 41.12 37.98 1cw3 n ASP 388 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cw3 s VAL 389 N -3.07 3.06 0.22 2.53 1.01 -0.96 -4.74 120.40 118.45 1cw3 s VAL 389 Ca 0.44 1.03 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1cw3 s VAL 389 Cb -0.22 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1cw3 s VAL 389 CO 0.54 0.23 0.09 -1.10 0.00 0.00 0.00 175.10 174.87 1cw3 s GLN 390 N -1.42 2.65 0.19 2.72 -1.52 -1.26 -4.50 119.66 116.52 1cw3 s GLN 390 Ca 0.48 -1.11 -0.12 0.00 -1.95 0.00 0.00 55.36 52.66 1cw3 s GLN 390 Cb -0.37 -2.44 0.15 0.00 -0.22 0.00 0.00 33.01 30.14 1cw3 s GLN 390 CO 0.47 0.42 1.80 -0.44 -0.25 0.00 0.00 175.29 177.29 1cw3 h ASP 391 N 2.06 0.45 0.53 5.90 5.19 -1.96 -2.64 116.42 125.94 1cw3 h ASP 391 Ca -0.47 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1cw3 h ASP 391 Cb 1.22 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1cw3 h ASP 391 CO 0.60 0.31 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 1cw3 n GLY 392 N -1.26 -1.04 3.77 2.75 0.00 -1.26 -4.49 105.19 103.66 1cw3 n GLY 392 Ca 0.05 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1cw3 n GLY 392 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cw3 s MET 393 N -3.07 3.89 0.22 1.61 -1.94 -1.00 -4.92 119.30 114.09 1cw3 s MET 393 Ca 0.06 2.08 -0.08 0.00 -1.71 0.00 0.00 55.69 56.03 1cw3 s MET 393 Cb 0.09 -2.67 0.18 0.00 2.01 0.00 0.00 34.83 34.45 1cw3 s MET 393 CO 0.28 -0.53 1.86 1.15 -0.01 0.00 0.00 175.02 177.76 1cw3 h THR 394 N 2.29 1.24 0.00 2.05 2.02 -1.89 -0.77 112.91 117.85 1cw3 h THR 394 Ca -0.50 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1cw3 h THR 394 Cb 1.25 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1cw3 h THR 394 CO 0.62 0.26 0.00 2.30 0.37 0.00 0.00 175.52 179.06 1cw3 n ILE 395 N -4.42 0.90 0.89 3.11 -5.35 -1.26 -0.94 119.36 112.29 1cw3 n ILE 395 Ca 0.08 0.23 0.09 0.00 -0.27 0.00 0.00 62.75 62.88 1cw3 n ILE 395 Cb 0.07 -0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 36.93 1cw3 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cw3 n ALA 396 N -1.42 3.90 -0.02 -1.28 0.00 -0.35 -4.59 120.51 116.75 1cw3 n ALA 396 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 1cw3 n ALA 396 Cb 0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 1cw3 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cw3 n LYS 397 N -0.69 3.30 -4.15 0.00 5.02 -0.46 -4.95 118.16 116.23 1cw3 n LYS 397 Ca 0.06 -0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1cw3 n LYS 397 Cb 0.36 -1.10 -0.08 0.00 -0.02 0.00 0.00 35.03 34.20 1cw3 n LYS 397 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cw3 s GLU 398 N -2.10 2.73 -0.32 1.97 2.02 -0.12 -4.91 118.70 117.98 1cw3 s GLU 398 Ca -0.02 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1cw3 s GLU 398 Cb 0.01 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 1cw3 s GLU 398 CO 0.16 0.58 1.65 -2.00 0.02 0.00 0.00 175.26 175.67 1cw3 s GLU 399 N -2.09 3.53 0.07 1.61 2.12 -1.26 -4.82 118.70 117.86 1cw3 s GLU 399 Ca 0.25 1.38 0.06 0.00 0.36 0.00 0.00 54.97 57.02 1cw3 s GLU 399 Cb -0.12 -4.11 -0.23 0.00 0.26 0.00 0.00 34.13 29.94 1cw3 s GLU 399 CO 0.17 -1.62 1.10 0.82 -0.54 0.00 0.00 175.26 175.18 1cw3 h ILE 400 N 6.54 1.46 -4.50 -3.70 2.04 -1.93 -3.48 117.51 113.95 1cw3 h ILE 400 Ca -0.32 -3.18 -0.31 0.00 1.00 0.00 0.00 64.86 62.05 1cw3 h ILE 400 Cb 1.15 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.96 1cw3 h ILE 400 CO 1.03 0.85 -0.43 0.33 0.00 0.00 0.00 178.15 179.94 1cw3 n PHE 401 N -3.32 -1.61 -4.19 1.37 7.35 -1.26 -4.68 117.46 111.12 1cw3 n PHE 401 Ca -0.06 0.23 -0.14 0.00 -0.76 0.00 0.00 57.45 56.72 1cw3 n PHE 401 Cb 0.98 -3.00 -0.08 0.00 0.35 0.00 0.00 39.48 37.73 1cw3 n PHE 401 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1cw3 s GLY 402 N -2.35 1.59 -0.69 7.13 0.00 -1.21 -4.05 107.32 107.74 1cw3 s GLY 402 Ca 0.18 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.15 1cw3 s GLY 402 CO 0.22 -1.30 2.04 -1.55 0.00 0.00 0.00 173.10 172.51 1cw3 n PRO 403 N -0.40 1.76 -3.92 2.90 -0.04 -1.20 -4.53 135.00 129.57 1cw3 n PRO 403 Ca 0.03 -1.22 -0.30 0.00 -0.04 0.00 0.00 63.50 61.96 1cw3 n PRO 403 Cb 0.64 -2.29 -0.16 0.00 -0.04 0.00 0.00 33.50 31.65 1cw3 n PRO 403 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cw3 s VAL 404 N 3.24 1.48 -0.03 0.52 1.01 -1.26 -0.49 120.40 124.87 1cw3 s VAL 404 Ca 0.36 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1cw3 s VAL 404 Cb 0.11 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1cw3 s VAL 404 CO -0.03 -0.18 0.50 -0.32 0.00 0.00 0.00 175.10 175.08 1cw3 s MET 405 N 1.40 4.19 -0.21 2.72 1.75 0.48 -4.98 119.30 124.65 1cw3 s MET 405 Ca -0.04 0.55 -0.02 0.00 -1.25 0.00 0.00 55.69 54.93 1cw3 s MET 405 Cb -0.19 -3.32 0.00 0.00 2.84 0.00 0.00 34.83 34.17 1cw3 s MET 405 CO -0.08 0.44 -0.09 -0.65 -0.65 0.00 0.00 175.02 173.99 1cw3 s GLN 406 N -0.33 3.22 -0.27 4.11 1.11 -1.25 -0.23 119.66 126.01 1cw3 s GLN 406 Ca 0.27 -0.72 -0.04 0.00 0.01 0.00 0.00 55.36 54.88 1cw3 s GLN 406 Cb -0.17 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 28.98 1cw3 s GLN 406 CO 0.14 -0.22 0.00 0.42 0.01 0.00 0.00 175.29 175.65 1cw3 s ILE 407 N 1.41 3.41 0.06 1.08 1.01 -0.39 -1.12 121.20 126.66 1cw3 s ILE 407 Ca 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1cw3 s ILE 407 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1cw3 s ILE 407 CO -0.06 0.17 0.01 -0.76 0.00 0.00 0.00 174.94 174.29 1cw3 s LEU 408 N 1.42 3.53 -0.11 2.97 1.02 -0.10 -2.26 118.68 125.15 1cw3 s LEU 408 Ca 0.02 -0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 1cw3 s LEU 408 Cb -0.17 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.81 1cw3 s LEU 408 CO -0.01 0.20 0.03 -0.75 0.02 0.00 0.00 176.35 175.84 1cw3 s LYS 409 N -2.12 3.22 0.18 1.70 2.20 -1.26 -0.80 119.74 122.86 1cw3 s LYS 409 Ca 0.25 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1cw3 s LYS 409 Cb -0.12 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1cw3 s LYS 409 CO 0.17 0.63 0.04 -0.59 -0.36 0.00 0.00 175.35 175.24 1cw3 s PHE 410 N -0.67 1.18 -0.01 4.03 -0.12 -0.76 -4.90 117.98 116.73 1cw3 s PHE 410 Ca 0.11 -1.12 -0.04 0.00 -0.05 0.00 0.00 56.93 55.83 1cw3 s PHE 410 Cb -0.12 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.59 1cw3 s PHE 410 CO 0.02 -0.33 -0.07 1.17 -0.05 0.00 0.00 175.22 175.96 1cw3 n LYS 411 N -0.25 0.11 -3.56 1.99 4.81 -1.26 -0.23 118.16 119.78 1cw3 n LYS 411 Ca -0.05 0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1cw3 n LYS 411 Cb 0.64 -0.54 -0.02 0.00 0.02 0.00 0.00 35.03 35.13 1cw3 n LYS 411 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1cw3 s THR 412 N -1.68 3.52 0.23 3.15 -4.23 -1.26 -4.79 115.64 110.58 1cw3 s THR 412 Ca -0.06 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1cw3 s THR 412 Cb 0.01 -3.21 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1cw3 s THR 412 CO 0.09 -0.12 1.53 -0.29 -0.54 0.00 0.00 174.62 175.29 1cw3 h ILE 413 N 1.02 1.42 -0.31 2.99 2.10 -1.99 -2.31 117.51 120.42 1cw3 h ILE 413 Ca -0.44 -2.16 -0.12 0.00 1.08 0.00 0.00 64.86 63.23 1cw3 h ILE 413 Cb 1.26 2.13 -0.01 0.00 -1.09 0.00 0.00 36.82 39.12 1cw3 h ILE 413 CO 0.55 0.63 -0.26 -0.33 -1.08 0.00 0.00 178.15 177.65 1cw3 h GLU 414 N 0.13 0.73 0.52 2.19 3.07 -2.00 -2.60 114.58 116.62 1cw3 h GLU 414 Ca -0.01 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1cw3 h GLU 414 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1cw3 h GLU 414 CO 0.10 0.99 -0.35 1.49 -1.40 0.00 0.00 179.01 179.84 1cw3 h GLU 415 N 0.49 -0.80 -0.30 2.33 4.81 -1.95 -2.71 114.58 116.45 1cw3 h GLU 415 Ca 0.06 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1cw3 h GLU 415 Cb 0.83 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1cw3 h GLU 415 CO 0.07 -0.53 0.21 -0.24 -0.73 0.00 0.00 179.01 177.78 1cw3 h VAL 416 N -0.83 0.97 0.06 0.32 3.04 -1.44 -1.23 116.25 117.13 1cw3 h VAL 416 Ca -0.06 -0.08 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1cw3 h VAL 416 Cb 0.69 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1cw3 h VAL 416 CO 0.04 0.04 -0.03 0.58 -1.01 0.00 0.00 177.57 177.20 1cw3 h VAL 417 N 0.23 1.07 -0.82 1.51 2.07 -1.23 0.68 116.25 119.76 1cw3 h VAL 417 Ca 0.13 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1cw3 h VAL 417 Cb 0.23 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1cw3 h VAL 417 CO -0.02 0.10 0.49 1.23 0.02 0.00 0.00 177.57 179.39 1cw3 h GLY 418 N -0.26 1.20 1.35 2.17 0.00 -1.04 -1.35 103.07 105.15 1cw3 h GLY 418 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1cw3 h GLY 418 CO 0.01 0.49 -0.34 3.21 0.00 0.00 0.00 176.54 179.91 1cw3 h ARG 419 N 1.13 0.72 -0.42 4.80 3.08 -1.11 -1.60 114.38 120.98 1cw3 h ARG 419 Ca 0.29 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1cw3 h ARG 419 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1cw3 h ARG 419 CO -0.05 0.96 -0.30 0.00 -1.07 0.00 0.00 179.97 179.51 1cw3 h ALA 420 N 1.01 0.68 0.00 0.04 0.00 -0.60 -2.92 119.26 117.47 1cw3 h ALA 420 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cw3 h ALA 420 Cb 0.87 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cw3 h ALA 420 CO 0.08 0.67 0.00 0.09 0.00 0.00 0.00 179.25 180.09 1cw3 n ASN 421 N -4.08 0.10 -4.13 0.00 3.02 -0.53 -4.44 115.26 105.19 1cw3 n ASN 421 Ca -0.01 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 1cw3 n ASN 421 Cb 0.50 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1cw3 n ASN 421 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cw3 n ASN 422 N -1.60 4.50 -3.51 6.41 5.15 -0.61 -4.81 115.26 120.80 1cw3 n ASN 422 Ca 0.07 -2.90 -0.15 0.00 -0.60 0.00 0.00 54.58 50.99 1cw3 n ASN 422 Cb 0.34 -1.67 -0.05 0.00 -0.53 0.00 0.00 39.78 37.87 1cw3 n ASN 422 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1cw3 s SER 423 N 3.38 -0.58 0.00 1.20 0.15 -1.26 -5.01 113.70 111.58 1cw3 s SER 423 Ca 0.49 0.47 0.27 0.00 0.70 0.00 0.00 55.95 57.88 1cw3 s SER 423 Cb 0.08 0.51 0.90 0.00 -1.71 0.00 0.00 66.02 65.80 1cw3 s SER 423 CO -0.01 -0.65 1.68 0.35 1.20 0.00 0.00 173.24 175.81 1cw3 n THR 424 N 0.52 0.00 -2.85 6.45 -2.24 -1.26 -4.83 114.28 110.07 1cw3 n THR 424 Ca -0.17 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1cw3 n THR 424 Cb 0.59 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1cw3 n THR 424 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1cw3 s TYR 425 N -2.90 3.09 -0.18 4.78 4.12 -1.26 -1.05 117.35 123.94 1cw3 s TYR 425 Ca 0.15 0.15 0.00 0.00 0.02 0.00 0.00 57.07 57.40 1cw3 s TYR 425 Cb 0.18 -2.48 0.02 0.00 -1.52 0.00 0.00 41.96 38.16 1cw3 s TYR 425 CO 0.60 -0.56 0.82 0.41 0.02 0.00 0.00 175.55 176.84 1cw3 n GLY 426 N -2.19 -0.95 0.09 0.71 0.00 -1.20 -4.84 105.19 96.81 1cw3 n GLY 426 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1cw3 n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cw3 h LEU 427 N 0.62 0.16 -8.38 0.99 5.85 -1.83 0.63 115.31 113.35 1cw3 h LEU 427 Ca -0.37 -0.93 -0.17 0.00 0.84 0.00 0.00 57.88 57.25 1cw3 h LEU 427 Cb 1.14 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1cw3 h LEU 427 CO -0.14 1.08 -0.18 0.00 -0.34 0.00 0.00 178.44 178.86 1cw3 s ALA 428 N -2.49 0.31 0.05 1.25 0.00 -1.26 -2.30 121.76 117.32 1cw3 s ALA 428 Ca -0.17 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 1cw3 s ALA 428 Cb -0.01 1.12 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1cw3 s ALA 428 CO 0.73 -0.81 0.87 0.00 0.00 0.00 0.00 175.76 176.55 1cw3 s ALA 429 N -3.52 -1.75 -0.04 0.00 0.00 -0.32 -4.09 121.76 112.04 1cw3 s ALA 429 Ca 0.27 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1cw3 s ALA 429 Cb -0.00 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1cw3 s ALA 429 CO 0.14 -0.78 0.18 0.00 0.00 0.00 0.00 175.76 175.31 1cw3 s ALA 430 N -3.24 -0.45 -0.09 0.00 0.00 -0.51 -0.96 121.76 116.50 1cw3 s ALA 430 Ca 0.06 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1cw3 s ALA 430 Cb -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1cw3 s ALA 430 CO -0.07 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 175.51 1cw3 s VAL 431 N -0.50 1.24 -0.30 0.00 1.01 0.46 -0.18 120.40 122.13 1cw3 s VAL 431 Ca -0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1cw3 s VAL 431 Cb -0.04 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.24 1cw3 s VAL 431 CO 0.01 0.39 -0.00 -0.36 0.00 0.00 0.00 175.10 175.14 1cw3 s PHE 432 N 1.04 3.29 -0.02 5.22 0.40 0.44 -0.43 117.98 127.92 1cw3 s PHE 432 Ca -0.07 -1.96 -0.28 0.00 -0.60 0.00 0.00 56.93 54.01 1cw3 s PHE 432 Cb -0.15 -2.15 0.09 0.00 0.51 0.00 0.00 43.02 41.32 1cw3 s PHE 432 CO -0.01 -0.82 0.79 -0.08 0.70 0.00 0.00 175.22 175.80 1cw3 s THR 433 N 1.23 0.00 -0.87 0.64 -1.32 -1.26 -1.14 115.64 112.91 1cw3 s THR 433 Ca -0.05 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1cw3 s THR 433 Cb -0.20 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.61 1cw3 s THR 433 CO -0.02 0.00 0.98 0.29 -2.21 0.00 0.00 174.62 173.66 1cw3 n LYS 434 N 0.27 0.09 -2.90 7.08 5.02 -1.22 -4.84 118.16 121.66 1cw3 n LYS 434 Ca -0.14 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 1cw3 n LYS 434 Cb 0.60 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1cw3 n LYS 434 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cw3 s ASP 435 N -3.25 6.98 0.17 4.39 -1.08 -1.26 -4.97 116.67 117.65 1cw3 s ASP 435 Ca 0.07 1.19 -0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1cw3 s ASP 435 Cb 0.16 -2.45 0.13 0.00 -1.46 0.00 0.00 42.92 39.29 1cw3 s ASP 435 CO 0.83 -0.36 1.75 0.25 0.52 0.00 0.00 175.17 178.16 1cw3 h LEU 436 N 8.05 0.14 -0.99 -1.34 5.85 -2.00 -2.16 115.31 122.87 1cw3 h LEU 436 Ca -0.31 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 1cw3 h LEU 436 Cb 1.14 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1cw3 h LEU 436 CO 0.82 0.11 -0.30 0.44 -0.34 0.00 0.00 178.44 179.17 1cw3 h ASP 437 N 0.31 0.37 -0.38 1.25 3.45 -1.99 -2.29 116.42 117.13 1cw3 h ASP 437 Ca 0.21 -0.13 -0.14 0.00 0.43 0.00 0.00 57.03 57.40 1cw3 h ASP 437 Cb 0.21 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 1cw3 h ASP 437 CO -0.22 0.66 -0.30 0.11 -1.57 0.00 0.00 179.24 177.92 1cw3 h LYS 438 N 0.32 0.88 -0.35 3.56 1.57 -1.93 -0.45 116.57 120.17 1cw3 h LYS 438 Ca 0.04 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1cw3 h LYS 438 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1cw3 h LYS 438 CO 0.05 1.08 0.10 0.00 -0.57 0.00 0.00 179.45 180.12 1cw3 h ALA 439 N 0.78 0.45 -0.20 3.86 0.00 -1.26 -1.23 119.26 121.66 1cw3 h ALA 439 Ca 0.07 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1cw3 h ALA 439 Cb 0.88 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1cw3 h ALA 439 CO 0.08 0.10 -0.55 -0.91 0.00 0.00 0.00 179.25 177.96 1cw3 h ASN 440 N 0.40 0.68 0.21 0.00 2.35 -1.40 -0.92 115.58 116.90 1cw3 h ASN 440 Ca 0.11 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1cw3 h ASN 440 Cb 0.26 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1cw3 h ASN 440 CO -0.00 1.09 -0.10 0.22 -1.65 0.00 0.00 177.43 176.98 1cw3 h TYR 441 N 0.47 -0.27 -0.29 1.19 3.20 -0.98 -2.88 116.97 117.42 1cw3 h TYR 441 Ca 0.01 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1cw3 h TYR 441 Cb 1.10 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1cw3 h TYR 441 CO 0.05 -0.07 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.27 1cw3 h LEU 442 N -0.42 0.65 -2.05 2.82 3.38 -1.25 -1.59 115.31 116.85 1cw3 h LEU 442 Ca -0.03 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1cw3 h LEU 442 Cb 0.32 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1cw3 h LEU 442 CO 0.05 0.93 -0.07 0.77 0.09 0.00 0.00 178.44 180.20 1cw3 h SER 443 N 0.36 0.00 0.19 -0.43 4.64 -1.23 -0.98 113.55 116.10 1cw3 h SER 443 Ca 0.06 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.04 1cw3 h SER 443 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1cw3 h SER 443 CO 0.05 0.07 -1.70 -0.61 -0.87 0.00 0.00 176.83 173.77 1cw3 h GLN 444 N 0.00 0.39 -0.39 4.77 4.15 -1.43 -3.38 115.11 119.22 1cw3 h GLN 444 Ca -0.00 -0.67 -0.11 0.00 0.77 0.00 0.00 58.65 58.64 1cw3 h GLN 444 Cb 0.16 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1cw3 h GLN 444 CO 0.01 1.32 -0.17 0.00 -1.93 0.00 0.00 178.83 178.06 1cw3 h ALA 445 N 0.10 0.55 -2.59 3.38 0.00 -0.91 -3.45 119.26 116.34 1cw3 h ALA 445 Ca -0.33 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 1cw3 h ALA 445 Cb 2.07 -0.13 0.05 0.00 0.00 0.00 0.00 17.79 19.78 1cw3 h ALA 445 CO 0.17 0.48 1.07 -0.51 0.00 0.00 0.00 179.25 180.46 1cw3 s LEU 446 N -9.15 4.39 -1.21 0.00 1.43 -0.41 -4.91 118.68 108.82 1cw3 s LEU 446 Ca -0.12 2.83 -0.09 0.00 -1.03 0.00 0.00 54.13 55.72 1cw3 s LEU 446 Cb 0.10 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.95 1cw3 s LEU 446 CO 0.83 -1.00 1.60 0.00 0.23 0.00 0.00 176.35 178.02 1cw3 n GLN 447 N 4.81 3.71 -4.06 1.70 6.02 -1.26 -4.94 117.38 123.36 1cw3 n GLN 447 Ca 0.17 -3.91 -0.13 0.00 -0.01 0.00 0.00 57.00 53.12 1cw3 n GLN 447 Cb 0.36 -2.84 -0.12 0.00 1.02 0.00 0.00 30.24 28.67 1cw3 n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 s ALA 448 N -0.09 0.47 0.30 -1.58 0.00 -1.26 -4.60 121.76 115.00 1cw3 s ALA 448 Ca 0.38 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1cw3 s ALA 448 Cb 0.03 0.03 0.46 0.00 0.00 0.00 0.00 23.12 23.64 1cw3 s ALA 448 CO 0.01 -0.02 1.89 0.78 0.00 0.00 0.00 175.76 178.43 1cw3 h GLY 449 N 4.84 0.95 -7.01 0.00 0.00 -0.86 -3.42 103.07 97.57 1cw3 h GLY 449 Ca -0.33 -0.46 -0.38 0.00 0.00 0.00 0.00 47.33 46.16 1cw3 h GLY 449 CO 0.43 0.44 -0.75 -1.59 0.00 0.00 0.00 176.54 175.07 1cw3 s THR 450 N -5.46 0.07 -0.25 4.70 2.01 -1.08 -4.74 115.64 110.89 1cw3 s THR 450 Ca -0.10 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1cw3 s THR 450 Cb 0.16 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.41 1cw3 s THR 450 CO 0.79 0.19 0.00 -0.69 -0.69 0.00 0.00 174.62 174.22 1cw3 s VAL 451 N 1.83 3.53 -0.10 3.82 1.01 -1.26 -1.17 120.40 128.06 1cw3 s VAL 451 Ca 0.01 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1cw3 s VAL 451 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1cw3 s VAL 451 CO -0.03 0.26 0.30 0.26 0.00 0.00 0.00 175.10 175.89 1cw3 s TRP 452 N 1.46 3.57 -0.23 5.22 0.51 -0.14 -4.97 118.94 124.37 1cw3 s TRP 452 Ca 0.04 0.71 -0.03 0.00 -2.12 0.00 0.00 56.10 54.70 1cw3 s TRP 452 Cb -0.16 -2.25 0.00 0.00 -0.81 0.00 0.00 33.47 30.26 1cw3 s TRP 452 CO -0.01 0.46 -0.05 0.08 -0.51 0.00 0.00 176.95 176.93 1cw3 s VAL 453 N -0.31 3.22 -1.76 4.03 1.01 -1.26 -0.40 120.40 124.93 1cw3 s VAL 453 Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1cw3 s VAL 453 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1cw3 s VAL 453 CO 0.07 0.34 0.00 0.59 0.00 0.00 0.00 175.10 176.10 1cw3 n ASN 454 N 4.76 -5.73 -3.64 3.32 3.02 0.42 -4.95 115.26 112.47 1cw3 n ASN 454 Ca -0.18 0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.35 1cw3 n ASN 454 Cb 0.50 -4.77 -0.02 0.00 -0.61 0.00 0.00 39.78 34.88 1cw3 n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cw3 s TYR 456 N -3.12 0.17 -1.58 0.00 5.04 -1.26 -4.64 117.35 111.96 1cw3 s TYR 456 Ca 0.09 -0.44 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 1cw3 s TYR 456 Cb -0.01 -0.12 0.11 0.00 0.35 0.00 0.00 41.96 42.29 1cw3 s TYR 456 CO -0.03 -0.35 0.87 -0.25 -1.34 0.00 0.00 175.55 174.45 1cw3 n ASP 457 N 0.89 -4.23 -4.39 4.32 8.00 -1.26 -4.90 116.55 114.98 1cw3 n ASP 457 Ca -0.20 -0.83 -0.44 0.00 0.71 0.00 0.00 54.79 54.03 1cw3 n ASP 457 Cb 0.58 -3.41 -0.04 0.00 -0.02 0.00 0.00 41.12 38.23 1cw3 n ASP 457 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cw3 s VAL 458 N -3.26 4.76 -0.10 2.53 1.01 -1.26 -5.03 120.40 119.06 1cw3 s VAL 458 Ca 0.68 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1cw3 s VAL 458 Cb -0.35 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1cw3 s VAL 458 CO 0.84 -1.15 0.11 -0.36 0.00 0.00 0.00 175.10 174.54 1cw3 s PHE 459 N 2.85 3.48 -0.05 5.22 0.40 -1.26 -5.09 117.98 123.54 1cw3 s PHE 459 Ca 0.13 0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1cw3 s PHE 459 Cb -0.23 -1.89 0.03 0.00 0.51 0.00 0.00 43.02 41.44 1cw3 s PHE 459 CO 0.07 0.66 -0.01 0.20 0.70 0.00 0.00 175.22 176.85 1cw3 s GLY 460 N -1.12 0.37 0.43 4.36 0.00 -1.26 -5.00 107.32 105.10 1cw3 s GLY 460 Ca 0.16 0.01 0.20 0.00 0.00 0.00 0.00 44.72 45.10 1cw3 s GLY 460 CO 0.05 0.80 1.57 0.00 0.00 0.00 0.00 173.10 175.52 1cw3 h ALA 461 N 7.68 1.19 0.00 3.20 0.00 -1.96 0.34 119.26 129.71 1cw3 h ALA 461 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1cw3 h ALA 461 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cw3 h ALA 461 CO 0.38 -0.19 -1.01 0.00 0.00 0.00 0.00 179.25 178.43 1cw3 n GLN 462 N -2.35 0.01 -4.05 0.00 0.00 -1.26 -0.90 117.38 108.83 1cw3 n GLN 462 Ca -0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 57.00 56.64 1cw3 n GLN 462 Cb 0.27 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.90 1cw3 n GLN 462 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1cw3 s SER 463 N -3.02 5.19 0.85 2.61 0.01 0.12 -3.89 113.70 115.57 1cw3 s SER 463 Ca 0.08 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1cw3 s SER 463 Cb 0.16 -1.89 0.10 0.00 0.21 0.00 0.00 66.02 64.60 1cw3 s SER 463 CO 0.87 0.10 1.13 -0.81 0.41 0.00 0.00 173.24 174.94 1cw3 n PRO 464 N 4.00 -0.05 -3.73 12.44 -0.04 -1.26 -4.26 135.00 142.10 1cw3 n PRO 464 Ca -0.17 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1cw3 n PRO 464 Cb 0.52 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.47 1cw3 n PRO 464 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1cw3 s PHE 465 N -2.30 -0.30 -0.05 0.54 5.36 0.11 -4.93 117.98 116.41 1cw3 s PHE 465 Ca 0.70 0.74 -0.30 0.00 -0.96 0.00 0.00 56.93 57.12 1cw3 s PHE 465 Cb -0.27 0.02 0.10 0.00 -0.34 0.00 0.00 43.02 42.53 1cw3 s PHE 465 CO 0.54 -0.23 1.32 0.20 -1.46 0.00 0.00 175.22 175.60 1cw3 s GLY 466 N 1.30 -0.18 0.20 13.12 0.00 -1.26 -0.41 107.32 120.08 1cw3 s GLY 466 Ca -0.09 0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.85 1cw3 s GLY 466 CO -0.08 5.69 -0.02 -0.32 0.00 0.00 0.00 173.10 178.37 1cw3 s GLY 467 N -3.81 1.70 0.07 0.20 0.00 -1.26 -3.93 107.32 100.29 1cw3 s GLY 467 Ca 0.29 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 1cw3 s GLY 467 CO -0.02 -1.48 0.22 -0.19 0.00 0.00 0.00 173.10 171.62 1cw3 s TYR 468 N -1.86 3.52 0.00 1.90 1.51 0.12 -4.34 117.35 118.20 1cw3 s TYR 468 Ca 0.28 0.25 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1cw3 s TYR 468 Cb -0.08 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1cw3 s TYR 468 CO 0.18 0.58 0.00 1.63 -1.11 0.00 0.00 175.55 176.83 1cw3 n LYS 469 N 0.25 0.00 -0.22 -0.62 5.02 -1.26 -2.59 118.16 118.75 1cw3 n LYS 469 Ca -0.05 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.27 1cw3 n LYS 469 Cb 0.51 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.64 1cw3 n LYS 469 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cw3 n MET 470 N 13.80 1.95 0.00 1.97 2.81 -0.21 -3.40 117.12 134.04 1cw3 n MET 470 Ca 0.00 -0.90 0.13 0.00 -1.81 0.00 0.00 57.70 55.12 1cw3 n MET 470 Cb 0.00 -1.54 0.33 0.00 -0.71 0.00 0.00 33.22 31.29 1cw3 n MET 470 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cw3 n SER 471 N 0.18 1.13 0.00 7.83 7.64 -1.07 -4.59 113.62 124.74 1cw3 n SER 471 Ca 0.08 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1cw3 n SER 471 Cb 0.42 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1cw3 n SER 471 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cw3 n GLY 472 N 1.35 0.49 3.26 0.23 0.00 -1.22 -0.54 105.19 108.78 1cw3 n GLY 472 Ca 0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 1cw3 n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 473 N -2.50 -0.33 0.00 1.61 1.04 -0.27 -4.47 113.70 108.79 1cw3 s SER 473 Ca 0.00 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1cw3 s SER 473 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1cw3 s SER 473 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1cw3 n GLY 474 N 2.30 -1.97 3.39 7.32 0.00 -1.26 -1.97 105.19 113.00 1cw3 n GLY 474 Ca -0.16 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1cw3 n GLY 474 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cw3 s ARG 475 N -2.31 1.44 0.20 1.61 1.81 -1.26 -4.33 118.95 116.11 1cw3 s ARG 475 Ca 0.00 -1.62 0.09 0.00 -1.72 0.00 0.00 55.73 52.48 1cw3 s ARG 475 Cb 0.00 -1.38 -0.04 0.00 -0.45 0.00 0.00 34.95 33.08 1cw3 s ARG 475 CO 0.00 0.25 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.48 1cw3 s GLU 476 N -3.47 1.37 0.20 3.54 2.02 0.46 -4.15 118.70 118.67 1cw3 s GLU 476 Ca 0.24 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1cw3 s GLU 476 Cb -0.03 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1cw3 s GLU 476 CO 0.10 0.26 0.00 1.28 0.02 0.00 0.00 175.26 176.92 1cw3 n LEU 477 N -0.04 -0.35 0.00 1.80 4.77 -1.26 0.07 117.00 121.99 1cw3 n LEU 477 Ca -0.10 0.81 0.03 0.00 -0.03 0.00 0.00 56.01 56.72 1cw3 n LEU 477 Cb 0.58 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.16 1cw3 n LEU 477 CO 0.32 -0.99 -0.04 0.61 -1.33 0.00 0.00 177.39 175.96 1cw3 n GLY 478 N -3.06 -1.45 0.19 -0.72 0.00 -0.08 -1.87 105.19 98.20 1cw3 n GLY 478 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1cw3 n GLY 478 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cw3 h GLU 479 N 0.00 0.10 -0.85 1.61 4.81 -1.88 -3.08 114.58 115.29 1cw3 h GLU 479 Ca 0.00 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1cw3 h GLU 479 Cb 0.20 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1cw3 h GLU 479 CO 0.00 0.49 0.55 1.88 -0.73 0.00 0.00 179.01 181.21 1cw3 h TYR 480 N 0.09 0.83 0.00 0.92 -1.99 -1.94 -2.06 116.97 112.82 1cw3 h TYR 480 Ca 0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1cw3 h TYR 480 Cb 0.76 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1cw3 h TYR 480 CO 0.01 0.35 0.00 0.41 -0.00 0.00 0.00 178.16 178.93 1cw3 n GLY 481 N -1.43 -0.48 0.07 3.88 0.00 -0.78 -1.66 105.19 104.78 1cw3 n GLY 481 Ca 0.15 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1cw3 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cw3 n LEU 482 N -1.43 0.44 -0.20 0.99 4.77 -0.77 -4.45 117.00 116.35 1cw3 n LEU 482 Ca 0.00 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 1cw3 n LEU 482 Cb 0.01 0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1cw3 n LEU 482 CO 0.01 -0.04 0.99 1.56 -1.33 0.00 0.00 177.39 178.59 1cw3 h GLN 483 N 0.00 0.41 0.00 3.23 4.20 -1.46 -2.13 115.11 119.36 1cw3 h GLN 483 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1cw3 h GLN 483 Cb 1.12 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1cw3 h GLN 483 CO 0.01 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 1cw3 h ALA 484 N 1.39 1.00 -0.47 3.87 0.00 -1.78 -2.83 119.26 120.44 1cw3 h ALA 484 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1cw3 h ALA 484 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cw3 h ALA 484 CO -0.28 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.63 1cw3 n TYR 485 N -2.54 1.68 -4.43 0.00 4.02 -0.81 -4.89 117.16 110.20 1cw3 n TYR 485 Ca 0.02 -0.77 -0.21 0.00 -0.01 0.00 0.00 57.90 56.92 1cw3 n TYR 485 Cb 0.26 -0.44 -0.16 0.00 -0.02 0.00 0.00 39.34 38.99 1cw3 n TYR 485 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1cw3 s THR 486 N -2.75 0.84 -0.19 -0.72 2.01 -1.07 -2.73 115.64 111.03 1cw3 s THR 486 Ca 0.50 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1cw3 s THR 486 Cb 0.39 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1cw3 s THR 486 CO 0.14 0.26 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.56 1cw3 s GLU 487 N 0.24 3.39 -0.12 4.92 2.56 -0.48 -4.79 118.70 124.41 1cw3 s GLU 487 Ca -0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 54.97 54.09 1cw3 s GLU 487 Cb -0.09 -2.90 -0.04 0.00 2.00 0.00 0.00 34.13 33.10 1cw3 s GLU 487 CO 0.01 -0.07 0.56 0.08 -0.56 0.00 0.00 175.26 175.28 1cw3 s VAL 488 N 1.12 5.12 -0.16 3.70 1.01 -1.26 -1.59 120.40 128.34 1cw3 s VAL 488 Ca 0.01 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1cw3 s VAL 488 Cb -0.15 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1cw3 s VAL 488 CO -0.01 0.26 -0.20 -0.75 0.00 0.00 0.00 175.10 174.40 1cw3 s LYS 489 N 0.95 3.04 -0.25 2.72 2.20 -0.68 -4.96 119.74 122.77 1cw3 s LYS 489 Ca 0.29 -0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 54.92 1cw3 s LYS 489 Cb -0.16 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1cw3 s LYS 489 CO 0.12 -0.10 0.44 0.99 -0.36 0.00 0.00 175.35 176.44 1cw3 s THR 490 N 1.05 5.14 -0.25 3.43 2.01 -1.26 -0.44 115.64 125.32 1cw3 s THR 490 Ca -0.01 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 1cw3 s THR 490 Cb -0.14 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1cw3 s THR 490 CO -0.07 0.15 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.31 1cw3 s VAL 491 N 2.01 3.40 -0.33 3.82 1.01 0.08 -4.98 120.40 125.40 1cw3 s VAL 491 Ca 0.18 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1cw3 s VAL 491 Cb -0.16 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1cw3 s VAL 491 CO 0.09 0.28 0.05 -0.89 0.00 0.00 0.00 175.10 174.63 1cw3 s THR 492 N 1.44 2.98 -0.07 3.92 2.01 -1.26 -1.54 115.64 123.13 1cw3 s THR 492 Ca 0.03 -1.62 -0.05 0.00 0.31 0.00 0.00 61.69 60.36 1cw3 s THR 492 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1cw3 s THR 492 CO -0.02 -0.28 0.15 -0.69 -0.69 0.00 0.00 174.62 173.09 1cw3 s VAL 493 N 1.20 5.41 -0.07 3.82 1.01 0.56 -4.93 120.40 127.40 1cw3 s VAL 493 Ca -0.01 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1cw3 s VAL 493 Cb -0.20 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1cw3 s VAL 493 CO -0.02 0.48 0.79 -0.75 0.00 0.00 0.00 175.10 175.60 1cw3 s LYS 494 N -1.45 4.43 0.18 2.72 2.20 -1.26 -0.03 119.74 126.54 1cw3 s LYS 494 Ca 0.21 1.03 0.11 0.00 -0.36 0.00 0.00 55.97 56.95 1cw3 s LYS 494 Cb -0.12 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1cw3 s LYS 494 CO 0.11 -0.05 -0.22 0.14 -0.36 0.00 0.00 175.35 174.97 1cw3 s VAL 495 N 1.15 2.51 0.27 4.02 -7.23 -0.73 -4.90 120.40 115.49 1cw3 s VAL 495 Ca 0.41 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1cw3 s VAL 495 Cb -0.18 -2.20 0.27 0.00 0.56 0.00 0.00 36.38 34.83 1cw3 s VAL 495 CO 0.19 -0.09 1.85 -0.65 -0.31 0.00 0.00 175.10 176.08 1cw3 h PRO 496 N 3.21 1.00 -0.80 4.82 0.11 -1.97 -3.43 132.00 134.95 1cw3 h PRO 496 Ca -0.47 -0.06 0.16 0.00 0.11 0.00 0.00 66.00 65.74 1cw3 h PRO 496 Cb 1.20 -0.23 -0.21 0.00 0.11 0.00 0.00 31.00 31.87 1cw3 h PRO 496 CO 0.48 0.66 -0.02 -1.14 -0.21 0.00 0.00 178.00 177.78 1cw3 s GLN 497 N -6.00 0.37 0.28 1.05 0.74 -1.26 -5.04 119.66 109.81 1cw3 s GLN 497 Ca -0.12 0.72 -0.29 0.00 0.05 0.00 0.00 55.36 55.72 1cw3 s GLN 497 Cb 0.21 0.41 -0.09 0.00 1.10 0.00 0.00 33.01 34.64 1cw3 s GLN 497 CO 0.81 -0.34 1.08 0.21 -0.55 0.00 0.00 175.29 176.50 1cw3 s LYS 498 N 2.84 4.63 0.05 1.67 2.20 -1.26 -5.05 119.74 124.81 1cw3 s LYS 498 Ca 0.06 1.75 -0.02 0.00 -0.36 0.00 0.00 55.97 57.41 1cw3 s LYS 498 Cb -0.11 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1cw3 s LYS 498 CO -0.16 0.22 0.01 -0.80 -0.36 0.00 0.00 175.35 174.26 1cw3 s ASN 499 N -0.95 0.37 0.00 1.43 0.01 -1.26 -4.98 114.94 109.55 1cw3 s ASN 499 Ca 0.45 -0.81 0.10 0.00 -0.71 0.00 0.00 52.86 51.89 1cw3 s ASN 499 Cb -0.31 0.20 0.59 0.00 0.41 0.00 0.00 41.25 42.15 1cw3 s ASN 499 CO 0.39 -0.54 1.04 -1.54 -1.51 0.00 0.00 177.10 174.94