#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 5.22 0.68 0.00 1.01 -1.26 -5.09 120.40 120.95 1cw3 s VAL 8 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1cw3 s VAL 8 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1cw3 s VAL 8 CO 0.00 0.43 1.23 -2.84 0.00 0.00 0.00 175.10 173.91 1cw3 s PRO 9 N 0.51 2.43 0.02 2.72 0.02 -1.26 -4.92 135.00 134.52 1cw3 s PRO 9 Ca 0.07 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 1cw3 s PRO 9 Cb -0.12 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1cw3 s PRO 9 CO -0.00 -1.63 1.55 0.00 -0.33 0.00 0.00 177.00 176.58 1cw3 s ALA 10 N -1.77 3.63 0.61 -1.55 0.00 -1.26 -4.99 121.76 116.42 1cw3 s ALA 10 Ca 0.77 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 1cw3 s ALA 10 Cb -0.31 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1cw3 s ALA 10 CO 0.41 -1.08 1.05 -1.25 0.00 0.00 0.00 175.76 174.89 1cw3 s PRO 11 N 2.81 3.31 -0.46 0.00 0.04 -1.26 -5.01 135.00 134.43 1cw3 s PRO 11 Ca 0.70 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1cw3 s PRO 11 Cb -0.35 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1cw3 s PRO 11 CO 0.29 -0.81 0.54 1.21 0.04 0.00 0.00 177.00 178.27 1cw3 s ASN 12 N -3.04 6.23 0.00 6.66 3.84 -1.26 -4.93 114.94 122.44 1cw3 s ASN 12 Ca 0.62 -0.75 0.15 0.00 0.21 0.00 0.00 52.86 53.10 1cw3 s ASN 12 Cb -0.15 -2.26 0.77 0.00 -0.55 0.00 0.00 41.25 39.06 1cw3 s ASN 12 CO 0.40 -0.73 1.43 0.00 -2.79 0.00 0.00 177.10 175.41 1cw3 n GLN 13 N 5.90 0.22 -3.18 0.43 6.02 -1.26 -3.54 117.38 121.96 1cw3 n GLN 13 Ca -0.06 0.14 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 1cw3 n GLN 13 Cb 0.46 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.29 1.08 -1.98 -1.09 3.00 -1.26 -5.00 117.38 110.84 1cw3 n GLN 14 Ca 0.07 -3.46 -0.41 0.00 -0.01 0.00 0.00 57.00 53.20 1cw3 n GLN 14 Cb 0.12 -1.63 -0.01 0.00 0.00 0.00 0.00 30.24 28.72 1cw3 n GLN 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1cw3 s PRO 15 N -2.20 4.25 0.50 -1.09 0.04 -1.23 -4.99 135.00 130.28 1cw3 s PRO 15 Ca 0.39 2.37 -0.21 0.00 0.04 0.00 0.00 61.00 63.60 1cw3 s PRO 15 Cb 0.30 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 1cw3 s PRO 15 CO -0.09 -0.34 1.10 -2.00 0.04 0.00 0.00 177.00 175.71 1cw3 s GLU 16 N -1.85 3.62 -0.21 4.56 2.12 -1.26 -5.02 118.70 120.65 1cw3 s GLU 16 Ca 0.51 1.56 -0.06 0.00 0.36 0.00 0.00 54.97 57.33 1cw3 s GLU 16 Cb -0.43 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 1cw3 s GLU 16 CO 0.57 -0.62 0.04 0.08 -0.54 0.00 0.00 175.26 174.79 1cw3 s VAL 17 N -1.79 4.27 -0.03 3.70 1.01 -1.26 -4.97 120.40 121.33 1cw3 s VAL 17 Ca 0.68 -0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.61 1cw3 s VAL 17 Cb -0.22 -2.95 -0.22 0.00 0.00 0.00 0.00 36.38 32.98 1cw3 s VAL 17 CO 0.26 0.40 0.29 0.49 0.00 0.00 0.00 175.10 176.55 1cw3 n PHE 18 N 4.34 0.00 -4.38 5.22 3.01 -1.26 -4.96 117.46 119.42 1cw3 n PHE 18 Ca -0.17 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.04 1cw3 n PHE 18 Cb 0.52 -0.36 -0.17 0.00 -0.01 0.00 0.00 39.48 39.46 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 4.15 0.00 -0.04 0.00 6.94 -1.26 -4.73 115.26 120.33 1cw3 n ASN 20 Ca -0.20 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 1cw3 n ASN 20 Cb 0.51 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.00 3.29 -3.95 -3.83 6.02 -1.26 -0.75 117.38 116.90 1cw3 n GLN 21 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1cw3 n GLN 21 Cb 0.53 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.69 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 1.64 4.73 -0.38 5.09 1.01 0.18 -4.64 121.20 128.83 1cw3 s ILE 22 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 1cw3 s ILE 22 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1cw3 s ILE 22 CO 0.00 0.43 0.38 0.12 0.00 0.00 0.00 174.94 175.87 1cw3 s PHE 23 N 0.64 3.20 -0.05 3.97 5.36 0.36 -0.31 117.98 131.14 1cw3 s PHE 23 Ca 0.04 -0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 55.74 1cw3 s PHE 23 Cb -0.13 -2.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 1cw3 s PHE 23 CO 0.01 -0.56 0.10 0.42 -1.46 0.00 0.00 175.22 173.74 1cw3 s ILE 24 N 2.02 -0.09 -1.45 3.12 1.01 -0.37 -0.53 121.20 124.91 1cw3 s ILE 24 Ca 0.11 0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1cw3 s ILE 24 Cb -0.17 -0.19 0.05 0.00 0.01 0.00 0.00 42.46 42.16 1cw3 s ILE 24 CO 0.12 0.10 0.98 0.59 0.00 0.00 0.00 174.94 176.73 1cw3 n ASN 25 N 4.51 -4.37 -1.13 3.58 3.02 -1.26 -1.35 115.26 118.25 1cw3 n ASN 25 Ca -0.21 -0.73 -0.15 0.00 -0.03 0.00 0.00 54.58 53.46 1cw3 n ASN 25 Cb 0.51 -4.20 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.92 -5.16 -4.27 6.41 5.03 -1.26 -4.60 115.26 108.48 1cw3 n ASN 26 Ca -0.04 0.37 -0.22 0.00 0.87 0.00 0.00 54.58 55.55 1cw3 n ASN 26 Cb 0.57 -3.96 -0.12 0.00 -1.02 0.00 0.00 39.78 35.24 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 -3.20 1.08 -0.15 3.52 2.02 -0.46 -5.04 118.70 116.47 1cw3 s GLU 27 Ca 0.00 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 1cw3 s GLU 27 Cb 0.00 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.92 1cw3 s GLU 27 CO 0.00 0.29 0.42 -1.58 0.02 0.00 0.00 175.26 174.40 1cw3 s TRP 28 N -1.31 3.46 0.10 1.61 0.52 -1.26 -1.24 118.94 120.82 1cw3 s TRP 28 Ca 0.06 0.75 0.05 0.00 0.02 0.00 0.00 56.10 56.98 1cw3 s TRP 28 Cb -0.09 -2.50 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1cw3 s TRP 28 CO 0.04 0.13 -0.13 -1.01 0.02 0.00 0.00 176.95 176.00 1cw3 s HIS 29 N 0.79 1.26 0.39 -1.98 3.76 0.57 -4.92 115.29 115.16 1cw3 s HIS 29 Ca 0.22 -0.53 -0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1cw3 s HIS 29 Cb -0.14 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 32.81 1cw3 s HIS 29 CO 0.08 0.08 0.70 -0.51 -0.85 0.00 0.00 174.74 174.24 1cw3 s ASP 30 N -2.15 6.41 0.65 1.40 -0.00 -1.26 -0.65 116.67 121.06 1cw3 s ASP 30 Ca 0.04 0.90 -0.18 0.00 -0.00 0.00 0.00 52.55 53.31 1cw3 s ASP 30 Cb -0.07 -2.23 -0.01 0.00 -0.00 0.00 0.00 42.92 40.61 1cw3 s ASP 30 CO 0.02 -0.39 1.25 0.00 -0.00 0.00 0.00 175.17 176.05 1cw3 n ALA 31 N -1.53 0.99 -0.28 5.23 0.00 -1.26 -4.83 120.51 118.82 1cw3 n ALA 31 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1cw3 n ALA 31 Cb 0.54 -2.30 0.34 0.00 0.00 0.00 0.00 19.45 18.04 1cw3 n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cw3 h VAL 32 N 0.46 0.89 0.00 0.00 2.07 -1.94 0.21 116.25 117.93 1cw3 h VAL 32 Ca -0.50 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1cw3 h VAL 32 Cb 1.34 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1cw3 h VAL 32 CO 0.52 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.72 1cw3 n SER 33 N -4.56 0.00 0.00 0.57 3.41 -1.26 -4.89 113.62 106.89 1cw3 n SER 33 Ca 0.17 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1cw3 n SER 33 Cb 0.40 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1cw3 n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cw3 n ARG 34 N -1.46 -0.60 -2.43 4.33 1.74 0.72 -4.98 116.66 113.97 1cw3 n ARG 34 Ca 0.07 0.15 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 1cw3 n ARG 34 Cb 0.29 -3.98 -0.03 0.00 -1.02 0.00 0.00 32.46 27.72 1cw3 n ARG 34 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1cw3 s LYS 35 N -0.92 3.76 0.22 5.56 1.02 -1.26 -4.83 119.74 123.28 1cw3 s LYS 35 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.22 1cw3 s LYS 35 Cb 0.00 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1cw3 s LYS 35 CO 0.00 -0.45 0.09 0.95 -0.92 0.00 0.00 175.35 175.02 1cw3 s THR 36 N -2.23 0.39 0.03 2.17 -4.23 -1.26 -1.35 115.64 109.16 1cw3 s THR 36 Ca 0.64 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1cw3 s THR 36 Cb -0.14 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1cw3 s THR 36 CO 0.25 -0.11 -0.05 0.72 -0.54 0.00 0.00 174.62 174.89 1cw3 s PHE 37 N -3.87 0.46 0.26 3.99 -0.12 0.28 -4.76 117.98 114.22 1cw3 s PHE 37 Ca 0.35 -0.47 -0.16 0.00 -0.05 0.00 0.00 56.93 56.60 1cw3 s PHE 37 Cb 0.07 -0.29 -0.08 0.00 -0.63 0.00 0.00 43.02 42.09 1cw3 s PHE 37 CO 0.11 -0.12 0.69 -1.25 -0.05 0.00 0.00 175.22 174.60 1cw3 s PRO 38 N -1.38 4.07 -0.15 1.99 0.04 -1.26 -0.21 135.00 138.10 1cw3 s PRO 38 Ca -0.11 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1cw3 s PRO 38 Cb -0.09 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 1cw3 s PRO 38 CO -0.00 0.29 -0.14 -0.08 0.04 0.00 0.00 177.00 177.11 1cw3 s THR 39 N -1.75 2.78 0.11 1.26 -1.32 -0.96 -4.95 115.64 110.82 1cw3 s THR 39 Ca 0.48 -0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 60.20 1cw3 s THR 39 Cb -0.13 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.64 1cw3 s THR 39 CO 0.19 0.51 0.30 -0.69 -2.21 0.00 0.00 174.62 172.73 1cw3 s VAL 40 N 0.72 5.27 -0.42 5.08 1.01 -1.26 -0.62 120.40 130.17 1cw3 s VAL 40 Ca -0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1cw3 s VAL 40 Cb -0.15 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1cw3 s VAL 40 CO 0.02 0.07 0.67 0.21 0.00 0.00 0.00 175.10 176.07 1cw3 s ASN 41 N -2.52 6.37 0.11 3.32 3.04 0.19 -4.78 114.94 120.67 1cw3 s ASN 41 Ca 0.38 -0.16 0.11 0.00 0.04 0.00 0.00 52.86 53.23 1cw3 s ASN 41 Cb -0.12 -2.34 0.53 0.00 -1.54 0.00 0.00 41.25 37.78 1cw3 s ASN 41 CO 0.26 -0.76 1.34 -0.81 -3.04 0.00 0.00 177.10 174.10 1cw3 n PRO 42 N 6.31 0.06 0.03 0.43 -0.04 -1.26 0.10 135.00 140.62 1cw3 n PRO 42 Ca -0.01 0.47 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1cw3 n PRO 42 Cb 0.48 -1.66 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1cw3 n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cw3 h SER 43 N 0.00 0.04 0.00 3.54 0.02 -1.89 -1.35 113.55 113.91 1cw3 h SER 43 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1cw3 h SER 43 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cw3 h SER 43 CO 0.00 1.04 -1.05 0.35 -1.14 0.00 0.00 176.83 176.03 1cw3 n THR 44 N -3.24 0.00 -0.80 -2.27 -2.24 -0.96 -3.72 114.28 101.06 1cw3 n THR 44 Ca -0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1cw3 n THR 44 Cb 1.00 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.96 1.29 3.88 3.38 0.00 0.11 -4.36 105.19 111.45 1cw3 n GLY 45 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 3.75 0.15 1.61 0.41 -1.23 -4.77 118.70 118.57 1cw3 s GLU 46 Ca 0.00 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 54.65 1cw3 s GLU 46 Cb 0.00 -2.43 -0.07 0.00 -1.78 0.00 0.00 34.13 29.85 1cw3 s GLU 46 CO 0.00 0.00 1.03 0.08 -0.49 0.00 0.00 175.26 175.88 1cw3 s VAL 47 N -2.33 4.17 -0.15 2.63 1.01 -1.26 -0.64 120.40 123.83 1cw3 s VAL 47 Ca 0.50 1.85 -0.19 0.00 0.00 0.00 0.00 61.98 64.14 1cw3 s VAL 47 Cb -0.10 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 1cw3 s VAL 47 CO 0.31 0.31 0.37 0.40 0.00 0.00 0.00 175.10 176.49 1cw3 h ILE 48 N 3.84 1.03 -2.43 2.22 2.04 -1.20 -3.46 117.51 119.55 1cw3 h ILE 48 Ca -0.44 -1.90 0.20 0.00 1.00 0.00 0.00 64.86 63.72 1cw3 h ILE 48 Cb 1.21 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 39.32 1cw3 h ILE 48 CO 0.72 0.35 0.64 0.00 0.00 0.00 0.00 178.15 179.86 1cw3 s GLN 50 N -2.19 3.58 -0.01 0.00 2.00 -1.26 -2.25 119.66 119.51 1cw3 s GLN 50 Ca 0.23 0.00 0.05 0.00 -2.00 0.00 0.00 55.36 53.64 1cw3 s GLN 50 Cb -0.02 -3.18 -0.01 0.00 0.80 0.00 0.00 33.01 30.60 1cw3 s GLN 50 CO 0.04 0.73 -0.17 0.08 -0.50 0.00 0.00 175.29 175.48 1cw3 s VAL 51 N -1.10 1.31 -0.08 1.34 1.01 0.71 -4.87 120.40 118.72 1cw3 s VAL 51 Ca 0.20 -0.71 -0.35 0.00 0.00 0.00 0.00 61.98 61.12 1cw3 s VAL 51 Cb -0.13 -1.09 -0.13 0.00 0.00 0.00 0.00 36.38 35.03 1cw3 s VAL 51 CO 0.09 0.37 1.81 0.00 0.00 0.00 0.00 175.10 177.37 1cw3 n ALA 52 N 2.68 0.75 -2.96 5.51 0.00 0.07 -0.55 120.51 126.01 1cw3 n ALA 52 Ca -0.15 0.32 -0.44 0.00 0.00 0.00 0.00 53.44 53.18 1cw3 n ALA 52 Cb 0.54 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 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 3.51 3.42 0.45 0.00 2.12 -0.46 -4.37 118.70 123.37 1cw3 s GLU 53 Ca 0.91 -1.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 1cw3 s GLU 53 Cb -0.75 -4.65 -0.08 0.00 0.26 0.00 0.00 34.13 28.91 1cw3 s GLU 53 CO 0.52 -1.72 1.06 0.20 -0.54 0.00 0.00 175.26 174.78 1cw3 s GLY 54 N 3.54 2.64 0.00 -1.50 0.00 0.44 -4.76 107.32 107.69 1cw3 s GLY 54 Ca 0.27 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1cw3 s GLY 54 CO -0.03 1.08 0.00 1.34 0.00 0.00 0.00 173.10 175.48 1cw3 n ASP 55 N -0.54 0.25 -0.27 1.64 -0.08 -1.26 -4.06 116.55 112.23 1cw3 n ASP 55 Ca 0.07 -0.82 0.08 0.00 -1.51 0.00 0.00 54.79 52.61 1cw3 n ASP 55 Cb 0.51 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.18 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 0.29 -0.00 -0.67 3.64 -1.90 -0.34 116.57 117.59 1cw3 h LYS 56 Ca 0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1cw3 h LYS 56 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1cw3 h LYS 56 CO 0.00 0.19 -0.22 0.93 -2.27 0.00 0.00 179.45 178.09 1cw3 h GLU 57 N 0.30 0.00 0.12 1.90 5.08 -1.97 -0.37 114.58 119.64 1cw3 h GLU 57 Ca 0.46 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.51 1cw3 h GLU 57 Cb 0.80 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.08 1cw3 h GLU 57 CO -0.52 0.22 -1.25 -0.44 -1.00 0.00 0.00 179.01 176.02 1cw3 h ASP 58 N 0.00 0.89 -0.50 1.42 3.32 -1.50 -2.91 116.42 117.14 1cw3 h ASP 58 Ca -0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 57.03 56.21 1cw3 h ASP 58 Cb 0.39 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1cw3 h ASP 58 CO 0.03 1.62 0.25 0.58 -1.72 0.00 0.00 179.24 180.00 1cw3 h VAL 59 N 0.29 1.19 -0.90 -1.35 2.07 -0.95 -1.44 116.25 115.15 1cw3 h VAL 59 Ca -0.19 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 66.91 1cw3 h VAL 59 Cb 1.92 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 1cw3 h VAL 59 CO 0.24 0.21 0.58 0.44 0.02 0.00 0.00 177.57 179.06 1cw3 h ASP 60 N 0.67 0.81 -0.35 0.57 3.32 -1.10 0.25 116.42 120.59 1cw3 h ASP 60 Ca 0.17 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1cw3 h ASP 60 Cb 0.10 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1cw3 h ASP 60 CO -0.02 0.47 -0.11 0.11 -1.72 0.00 0.00 179.24 177.97 1cw3 h LYS 61 N 0.89 0.68 -0.33 3.56 1.57 -1.18 -2.39 116.57 119.36 1cw3 h LYS 61 Ca 0.42 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1cw3 h LYS 61 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1cw3 h LYS 61 CO -0.18 0.86 0.12 0.00 -0.57 0.00 0.00 179.45 179.68 1cw3 h ALA 62 N 0.80 0.43 -0.73 3.86 0.00 -0.10 -1.75 119.26 121.78 1cw3 h ALA 62 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 62 Cb 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1cw3 h ALA 62 CO 0.04 0.05 0.43 0.28 0.00 0.00 0.00 179.25 180.04 1cw3 h VAL 63 N 0.39 1.21 -0.28 0.00 2.07 -0.58 -0.18 116.25 118.88 1cw3 h VAL 63 Ca 0.11 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1cw3 h VAL 63 Cb 0.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1cw3 h VAL 63 CO -0.01 0.22 -0.26 0.11 0.02 0.00 0.00 177.57 177.65 1cw3 h LYS 64 N 1.00 0.54 -0.25 1.57 1.57 -1.13 0.10 116.57 119.98 1cw3 h LYS 64 Ca 0.26 -0.22 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1cw3 h LYS 64 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1cw3 h LYS 64 CO -0.05 0.76 -0.48 0.00 -0.57 0.00 0.00 179.45 179.12 1cw3 h ALA 65 N 1.24 0.39 -0.00 3.86 0.00 -0.61 -2.26 119.26 121.88 1cw3 h ALA 65 Ca 0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cw3 h ALA 65 Cb 0.71 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cw3 h ALA 65 CO 0.05 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1cw3 h ALA 66 N 0.64 0.00 -0.48 0.00 0.00 -0.93 -1.62 119.26 116.87 1cw3 h ALA 66 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1cw3 h ALA 66 Cb 1.08 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1cw3 h ALA 66 CO 0.11 -0.41 0.11 -0.09 0.00 0.00 0.00 179.25 178.97 1cw3 h ARG 67 N -0.19 0.24 -0.11 0.00 9.65 -1.01 -1.51 114.38 121.46 1cw3 h ARG 67 Ca 0.00 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1cw3 h ARG 67 Cb 0.19 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1cw3 h ARG 67 CO -0.00 0.16 -0.06 0.00 2.80 0.00 0.00 179.97 182.87 1cw3 h ALA 68 N 1.36 0.03 0.00 2.80 0.00 -1.27 -1.20 119.26 120.98 1cw3 h ALA 68 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cw3 h ALA 68 Cb 0.30 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cw3 h ALA 68 CO -0.30 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.43 1cw3 h ALA 69 N 1.03 1.00 -0.38 0.00 0.00 -0.53 -0.61 119.26 119.78 1cw3 h ALA 69 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 69 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1cw3 h ALA 69 CO -0.15 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.44 1cw3 n PHE 70 N -2.82 0.49 -2.24 0.00 7.35 -0.47 -4.43 117.46 115.33 1cw3 n PHE 70 Ca -0.02 -0.24 -0.41 0.00 -0.76 0.00 0.00 57.45 56.01 1cw3 n PHE 70 Cb 0.10 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.90 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 -1.51 4.42 0.13 -4.13 -1.52 -0.24 -4.92 119.66 111.88 1cw3 s GLN 71 Ca 0.37 2.04 -0.35 0.00 -1.95 0.00 0.00 55.36 55.47 1cw3 s GLN 71 Cb 0.21 -3.18 -0.15 0.00 -0.22 0.00 0.00 33.01 29.67 1cw3 s GLN 71 CO 0.29 -0.18 1.51 -0.11 -0.25 0.00 0.00 175.29 176.54 1cw3 n LEU 72 N 2.20 2.64 0.00 2.90 7.94 -1.26 -1.00 117.00 130.43 1cw3 n LEU 72 Ca 0.04 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1cw3 n LEU 72 Cb 0.43 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1cw3 n LEU 72 CO 0.57 -0.52 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 1cw3 n GLY 73 N 3.16 0.64 3.87 -3.96 0.00 -1.26 -5.07 105.19 102.58 1cw3 n GLY 73 Ca 0.18 0.00 -0.31 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 -2.99 6.43 0.28 1.61 1.04 -0.17 -4.81 113.70 115.09 1cw3 s SER 74 Ca 0.00 1.34 0.01 0.00 0.48 0.00 0.00 55.95 57.78 1cw3 s SER 74 Cb 0.00 -2.42 0.67 0.00 0.10 0.00 0.00 66.02 64.36 1cw3 s SER 74 CO 0.00 -0.64 1.65 -0.65 0.98 0.00 0.00 173.24 174.59 1cw3 h PRO 75 N 0.49 0.22 -0.16 4.02 0.11 -1.88 0.11 132.00 134.91 1cw3 h PRO 75 Ca -0.46 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1cw3 h PRO 75 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1cw3 h PRO 75 CO 0.62 0.15 -0.48 2.35 -0.21 0.00 0.00 178.00 180.42 1cw3 h TRP 76 N 0.23 0.50 0.01 0.65 2.91 -1.93 -0.76 115.95 117.54 1cw3 h TRP 76 Ca 0.53 -0.16 -0.21 0.00 1.13 0.00 0.00 58.89 60.18 1cw3 h TRP 76 Cb 1.04 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 1cw3 h TRP 76 CO -0.26 0.82 -0.99 0.00 -1.03 0.00 0.00 178.44 176.97 1cw3 h ARG 77 N 0.33 0.01 0.00 2.65 2.47 -1.29 -3.31 114.38 115.24 1cw3 h ARG 77 Ca 0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1cw3 h ARG 77 Cb 0.97 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.30 1cw3 h ARG 77 CO 0.08 0.99 -0.74 0.00 0.56 0.00 0.00 179.97 180.87 1cw3 h ARG 78 N 0.00 0.00 -6.92 0.04 3.08 -0.84 -3.47 114.38 106.27 1cw3 h ARG 78 Ca -0.02 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 1cw3 h ARG 78 Cb 1.74 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.91 1cw3 h ARG 78 CO 0.13 0.02 0.68 -0.12 -1.07 0.00 0.00 179.97 179.61 1cw3 n MET 79 N -2.81 2.35 -1.87 0.04 1.56 -0.30 -4.94 117.12 111.16 1cw3 n MET 79 Ca 0.01 0.83 -0.40 0.00 -0.27 0.00 0.00 57.70 57.87 1cw3 n MET 79 Cb 0.56 -2.58 0.00 0.00 2.15 0.00 0.00 33.22 33.35 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 -0.34 6.18 0.35 6.12 1.01 -1.26 -4.90 116.67 123.83 1cw3 s ASP 80 Ca 0.58 2.91 0.02 0.00 0.71 0.00 0.00 52.55 56.77 1cw3 s ASP 80 Cb -0.48 -2.66 0.64 0.00 1.01 0.00 0.00 42.92 41.43 1cw3 s ASP 80 CO 0.60 -0.97 2.01 0.00 0.21 0.00 0.00 175.17 177.02 1cw3 h ALA 81 N 2.70 1.54 -0.09 5.23 0.00 -1.92 -0.87 119.26 125.86 1cw3 h ALA 81 Ca -0.50 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1cw3 h ALA 81 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1cw3 h ALA 81 CO 0.63 0.42 -0.22 0.66 0.00 0.00 0.00 179.25 180.74 1cw3 h SER 82 N 0.84 0.15 0.69 0.00 4.64 -1.90 -2.21 113.55 115.75 1cw3 h SER 82 Ca 0.23 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1cw3 h SER 82 Cb -0.09 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1cw3 h SER 82 CO -0.05 0.38 -0.63 -0.74 -0.87 0.00 0.00 176.83 174.92 1cw3 h HIS 83 N 0.14 0.00 -0.24 4.77 6.17 -1.53 -2.16 115.15 122.31 1cw3 h HIS 83 Ca 0.03 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.05 1cw3 h HIS 83 Cb 0.47 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 1cw3 h HIS 83 CO 0.00 0.63 -0.08 0.00 0.71 0.00 0.00 177.93 179.20 1cw3 h ARG 84 N 0.00 0.38 -0.42 5.26 3.08 -1.06 0.04 114.38 121.64 1cw3 h ARG 84 Ca -0.01 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1cw3 h ARG 84 Cb 1.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1cw3 h ARG 84 CO 0.08 0.47 -0.21 0.78 -1.07 0.00 0.00 179.97 180.02 1cw3 h GLY 85 N 0.79 0.92 0.95 0.04 0.00 -1.21 -1.03 103.07 103.53 1cw3 h GLY 85 Ca 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 1cw3 h GLY 85 CO 0.02 0.72 0.13 3.21 0.00 0.00 0.00 176.54 180.62 1cw3 h ARG 86 N 0.74 0.70 -0.67 4.80 2.47 -0.66 -1.73 114.38 120.03 1cw3 h ARG 86 Ca 0.10 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 1cw3 h ARG 86 Cb 0.74 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 1cw3 h ARG 86 CO 0.06 0.68 0.15 -0.07 0.56 0.00 0.00 179.97 181.36 1cw3 h LEU 87 N 0.58 1.02 -0.67 3.04 3.38 -0.88 -0.04 115.31 121.73 1cw3 h LEU 87 Ca 0.14 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1cw3 h LEU 87 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1cw3 h LEU 87 CO -0.00 0.99 -0.13 -0.07 0.09 0.00 0.00 178.44 179.31 1cw3 h LEU 88 N 1.02 0.89 -0.83 1.67 3.38 -1.05 -1.45 115.31 118.94 1cw3 h LEU 88 Ca 0.21 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1cw3 h LEU 88 Cb 0.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1cw3 h LEU 88 CO 0.00 1.03 -0.33 0.78 0.09 0.00 0.00 178.44 180.01 1cw3 h ASN 89 N 0.79 0.50 -0.36 -0.43 2.35 -1.00 -2.15 115.58 115.28 1cw3 h ASN 89 Ca 0.12 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1cw3 h ASN 89 Cb 0.66 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1cw3 h ASN 89 CO 0.05 0.80 0.02 -0.09 -1.65 0.00 0.00 177.43 176.56 1cw3 h ARG 90 N 0.41 0.63 -0.71 0.81 9.65 -0.79 -1.82 114.38 122.56 1cw3 h ARG 90 Ca 0.05 -0.19 0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1cw3 h ARG 90 Cb 0.78 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 1cw3 h ARG 90 CO 0.06 0.72 0.43 1.25 2.80 0.00 0.00 179.97 185.24 1cw3 h LEU 91 N 0.45 0.69 -1.36 3.80 5.85 -1.02 -0.95 115.31 122.77 1cw3 h LEU 91 Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1cw3 h LEU 91 Cb 0.43 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1cw3 h LEU 91 CO 0.01 0.47 0.03 0.00 -0.34 0.00 0.00 178.44 178.61 1cw3 h ALA 92 N 1.32 1.49 -0.38 1.25 0.00 -1.18 -0.62 119.26 121.15 1cw3 h ALA 92 Ca 0.29 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1cw3 h ALA 92 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1cw3 h ALA 92 CO -0.13 0.37 -0.31 -0.44 0.00 0.00 0.00 179.25 178.74 1cw3 h ASP 93 N 0.44 0.93 -0.01 0.00 3.32 -0.35 -1.05 116.42 119.70 1cw3 h ASP 93 Ca 0.10 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 1cw3 h ASP 93 Cb 0.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1cw3 h ASP 93 CO 0.00 1.18 -0.32 -0.07 -1.72 0.00 0.00 179.24 178.32 1cw3 h LEU 94 N 0.68 0.48 -0.30 1.55 3.38 -0.75 -0.32 115.31 120.04 1cw3 h LEU 94 Ca 0.07 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1cw3 h LEU 94 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1cw3 h LEU 94 CO 0.08 0.77 -0.23 0.40 0.09 0.00 0.00 178.44 179.56 1cw3 h ILE 95 N 0.40 1.30 -0.51 1.22 2.04 -1.00 -2.25 117.51 118.72 1cw3 h ILE 95 Ca 0.05 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 1cw3 h ILE 95 Cb 0.76 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1cw3 h ILE 95 CO 0.06 0.44 0.02 -0.08 0.00 0.00 0.00 178.15 178.59 1cw3 h GLU 96 N 0.43 0.83 -0.67 2.37 4.81 -1.00 0.36 114.58 121.71 1cw3 h GLU 96 Ca 0.06 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1cw3 h GLU 96 Cb 0.78 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1cw3 h GLU 96 CO 0.06 0.82 0.42 -0.09 -0.73 0.00 0.00 179.01 179.49 1cw3 h ARG 97 N 0.78 0.80 -0.82 1.92 2.43 -0.91 -1.98 114.38 116.60 1cw3 h ARG 97 Ca 0.15 -0.05 -0.38 0.00 -0.81 0.00 0.00 59.98 58.90 1cw3 h ARG 97 Cb 0.44 -0.18 -0.23 0.00 -0.42 0.00 0.00 29.97 29.58 1cw3 h ARG 97 CO 0.02 0.53 0.44 -0.25 -1.51 0.00 0.00 179.97 179.19 1cw3 n ASP 98 N -4.68 3.85 -0.09 -3.80 8.00 -0.86 -4.65 116.55 114.32 1cw3 n ASP 98 Ca 0.07 -3.52 -0.08 0.00 0.71 0.00 0.00 54.79 51.97 1cw3 n ASP 98 Cb 0.08 -0.78 -0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 1.45 0.33 -0.67 -1.24 2.43 -0.13 -0.92 114.38 115.63 1cw3 h ARG 99 Ca 0.47 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1cw3 h ARG 99 Cb 2.53 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.98 1cw3 h ARG 99 CO 0.89 0.22 0.31 1.15 -1.51 0.00 0.00 179.97 181.03 1cw3 h THR 100 N 0.34 1.23 0.10 0.20 2.02 -1.82 -0.63 112.91 114.35 1cw3 h THR 100 Ca 0.13 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1cw3 h THR 100 Cb 0.04 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1cw3 h THR 100 CO -0.09 0.27 -0.05 0.22 0.37 0.00 0.00 175.52 176.24 1cw3 h TYR 101 N 0.93 -0.12 -0.56 3.16 3.20 -1.86 -2.74 116.97 118.98 1cw3 h TYR 101 Ca 0.23 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1cw3 h TYR 101 Cb 0.14 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1cw3 h TYR 101 CO 0.01 0.16 0.19 -0.07 -1.64 0.00 0.00 178.16 176.81 1cw3 h LEU 102 N -0.41 0.76 -1.01 2.82 3.38 -1.12 -0.91 115.31 118.83 1cw3 h LEU 102 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1cw3 h LEU 102 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1cw3 h LEU 102 CO 0.02 0.71 0.40 0.00 0.09 0.00 0.00 178.44 179.66 1cw3 h ALA 103 N 1.40 1.23 -0.06 1.53 0.00 -1.09 0.88 119.26 123.16 1cw3 h ALA 103 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1cw3 h ALA 103 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1cw3 h ALA 103 CO -0.01 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 1cw3 h ALA 104 N 1.34 0.10 -0.01 0.00 0.00 -1.13 -2.66 119.26 116.90 1cw3 h ALA 104 Ca 0.27 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1cw3 h ALA 104 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1cw3 h ALA 104 CO -0.04 -0.00 -0.11 1.25 0.00 0.00 0.00 179.25 180.35 1cw3 h LEU 105 N -0.31 0.02 -0.25 0.00 5.85 -1.02 0.16 115.31 119.76 1cw3 h LEU 105 Ca -0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1cw3 h LEU 105 Cb 0.74 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1cw3 h LEU 105 CO 0.03 0.13 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.07 1cw3 h GLU 106 N 0.02 0.52 -0.38 1.25 4.57 -0.78 -2.38 114.58 117.40 1cw3 h GLU 106 Ca 0.00 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1cw3 h GLU 106 Cb 0.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1cw3 h GLU 106 CO 0.02 0.78 0.05 1.15 -1.18 0.00 0.00 179.01 179.82 1cw3 h THR 107 N 0.25 1.25 -0.23 0.32 2.02 -0.96 0.75 112.91 116.31 1cw3 h THR 107 Ca 0.06 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1cw3 h THR 107 Cb 0.62 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1cw3 h THR 107 CO 0.04 0.30 -0.12 0.25 0.37 0.00 0.00 175.52 176.36 1cw3 h LEU 108 N 0.48 -0.39 0.06 2.58 5.85 -0.66 0.18 115.31 123.40 1cw3 h LEU 108 Ca 0.11 0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.68 1cw3 h LEU 108 Cb 0.39 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1cw3 h LEU 108 CO 0.01 -0.15 -1.18 -0.78 -0.34 0.00 0.00 178.44 176.00 1cw3 h ASP 109 N -0.09 0.19 0.05 1.25 3.58 -1.43 -3.38 116.42 116.59 1cw3 h ASP 109 Ca 0.12 -0.21 -0.38 0.00 0.42 0.00 0.00 57.03 56.98 1cw3 h ASP 109 Cb 0.28 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 1cw3 h ASP 109 CO -0.29 1.17 -2.32 -3.20 -2.88 0.00 0.00 179.24 171.72 1cw3 n ASN 110 N -3.41 1.73 0.00 2.28 2.85 0.25 -4.58 115.26 114.39 1cw3 n ASN 110 Ca -0.06 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1cw3 n ASN 110 Cb 0.99 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.67 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 2.11 1.32 3.77 8.20 0.00 0.61 -4.27 105.19 116.93 1cw3 n GLY 111 Ca -0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.78 3.49 0.17 1.61 -2.85 -1.26 -3.57 119.74 116.55 1cw3 s LYS 112 Ca 0.00 1.70 -0.33 0.00 -1.00 0.00 0.00 55.97 56.33 1cw3 s LYS 112 Cb 0.00 -2.16 -0.14 0.00 -2.06 0.00 0.00 37.83 33.47 1cw3 s LYS 112 CO 0.00 -0.76 1.47 -2.30 0.10 0.00 0.00 175.35 173.86 1cw3 n PRO 113 N -0.99 1.92 -0.32 1.78 -0.02 -1.26 -4.47 135.00 131.63 1cw3 n PRO 113 Ca 0.10 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 1cw3 n PRO 113 Cb 0.50 -2.39 0.28 0.00 -0.02 0.00 0.00 33.50 31.86 1cw3 n PRO 113 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1cw3 h TYR 114 N 5.09 1.03 -0.88 6.00 3.20 -1.54 -1.17 116.97 128.70 1cw3 h TYR 114 Ca -0.45 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.49 1cw3 h TYR 114 Cb 1.28 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1cw3 h TYR 114 CO 0.60 0.44 0.56 0.28 -1.64 0.00 0.00 178.16 178.40 1cw3 h VAL 115 N 0.93 1.11 -0.31 1.81 2.07 -1.90 -0.03 116.25 119.93 1cw3 h VAL 115 Ca 0.45 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 1cw3 h VAL 115 Cb 0.46 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1cw3 h VAL 115 CO -0.21 0.19 -0.35 0.40 0.02 0.00 0.00 177.57 177.62 1cw3 h ILE 116 N 1.06 1.29 -1.01 4.57 1.08 -1.63 0.53 117.51 123.41 1cw3 h ILE 116 Ca 0.36 -1.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1cw3 h ILE 116 Cb 0.07 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1cw3 h ILE 116 CO -0.14 0.49 0.66 0.28 -0.69 0.00 0.00 178.15 178.76 1cw3 h SER 117 N 0.54 1.13 0.12 1.72 0.02 -0.72 0.35 113.55 116.71 1cw3 h SER 117 Ca 0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1cw3 h SER 117 Cb 0.93 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1cw3 h SER 117 CO 0.08 0.80 -0.06 0.22 -1.14 0.00 0.00 176.83 176.74 1cw3 h TYR 118 N 1.33 -0.15 -0.02 3.45 3.20 -0.94 -0.64 116.97 123.20 1cw3 h TYR 118 Ca 0.38 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.05 1cw3 h TYR 118 Cb -0.09 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1cw3 h TYR 118 CO -0.00 0.10 -0.85 -0.07 -1.64 0.00 0.00 178.16 175.69 1cw3 h LEU 119 N -1.01 0.41 0.00 2.82 3.38 -0.91 -3.33 115.31 116.67 1cw3 h LEU 119 Ca -0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1cw3 h LEU 119 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cw3 h LEU 119 CO 0.03 1.09 -0.18 0.52 0.09 0.00 0.00 178.44 179.99 1cw3 n VAL 120 N -3.75 0.29 0.00 1.22 0.31 0.11 -4.36 118.33 112.16 1cw3 n VAL 120 Ca -0.05 0.43 -0.14 0.00 -0.01 0.00 0.00 64.34 64.58 1cw3 n VAL 120 Cb 0.78 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 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 -0.20 -1.54 0.64 4.52 3.32 -1.13 -1.54 116.42 120.49 1cw3 h ASP 121 Ca 0.00 0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1cw3 h ASP 121 Cb 0.18 0.60 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1cw3 h ASP 121 CO 0.00 -0.44 -0.35 -0.07 -1.72 0.00 0.00 179.24 176.66 1cw3 h LEU 122 N -0.54 0.00 -0.39 1.55 4.07 -1.25 -1.97 115.31 116.78 1cw3 h LEU 122 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 1cw3 h LEU 122 Cb 0.62 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 1cw3 h LEU 122 CO -0.38 0.35 0.10 -0.78 -1.08 0.00 0.00 178.44 176.65 1cw3 h ASP 123 N 0.00 0.59 0.60 -0.43 3.58 -1.60 -1.49 116.42 117.67 1cw3 h ASP 123 Ca -0.00 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.16 1cw3 h ASP 123 Cb 0.76 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1cw3 h ASP 123 CO 0.05 0.67 -0.25 0.24 -2.88 0.00 0.00 179.24 177.06 1cw3 h MET 124 N 0.49 0.00 0.24 0.28 2.86 -0.97 -0.93 114.93 116.89 1cw3 h MET 124 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1cw3 h MET 124 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1cw3 h MET 124 CO 0.00 0.25 -0.11 0.28 1.06 0.00 0.00 176.91 178.39 1cw3 h VAL 125 N 0.00 0.78 -0.13 -2.22 2.07 -0.96 -1.83 116.25 113.96 1cw3 h VAL 125 Ca -0.00 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1cw3 h VAL 125 Cb 0.62 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1cw3 h VAL 125 CO 0.03 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.67 1cw3 h LEU 126 N -0.77 -0.13 -1.20 2.57 3.38 -1.12 -1.63 115.31 116.41 1cw3 h LEU 126 Ca -0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1cw3 h LEU 126 Cb 0.50 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1cw3 h LEU 126 CO 0.05 -0.05 0.55 0.11 0.09 0.00 0.00 178.44 179.20 1cw3 h LYS 127 N -0.01 1.01 -0.06 1.13 1.57 -1.23 -1.04 116.57 117.93 1cw3 h LYS 127 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1cw3 h LYS 127 Cb 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1cw3 h LYS 127 CO -0.14 0.67 -0.02 0.00 -0.57 0.00 0.00 179.45 179.39 1cw3 h LEU 129 N -0.24 1.05 -0.91 0.00 3.38 -1.13 -1.70 115.31 115.75 1cw3 h LEU 129 Ca 0.01 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1cw3 h LEU 129 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1cw3 h LEU 129 CO 0.01 0.98 -0.52 0.03 0.09 0.00 0.00 178.44 179.03 1cw3 h ARG 130 N 1.06 0.00 0.23 1.13 3.08 -1.21 -0.76 114.38 117.91 1cw3 h ARG 130 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1cw3 h ARG 130 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1cw3 h ARG 130 CO -0.00 0.52 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.39 1cw3 h TYR 131 N 0.00 -0.28 0.00 3.04 3.20 -0.81 -3.13 116.97 118.99 1cw3 h TYR 131 Ca -0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1cw3 h TYR 131 Cb 0.96 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1cw3 h TYR 131 CO 0.00 0.07 -0.11 1.88 -1.64 0.00 0.00 178.16 178.36 1cw3 h TYR 132 N -0.68 0.00 0.00 -3.82 -1.99 -1.25 -0.86 116.97 108.37 1cw3 h TYR 132 Ca -0.03 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1cw3 h TYR 132 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 1cw3 h TYR 132 CO 0.04 0.11 -0.15 0.00 -0.00 0.00 0.00 178.16 178.15 1cw3 h ALA 133 N 1.89 1.55 -0.03 3.88 0.00 -1.08 -1.81 119.26 123.66 1cw3 h ALA 133 Ca -0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1cw3 h ALA 133 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cw3 h ALA 133 CO 0.01 0.19 -0.75 0.78 0.00 0.00 0.00 179.25 179.49 1cw3 h GLY 134 N 0.61 0.26 2.00 0.00 0.00 -1.14 -3.19 103.07 101.61 1cw3 h GLY 134 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1cw3 h GLY 134 CO 0.02 0.34 0.00 1.49 0.00 0.00 0.00 176.54 178.39 1cw3 h TRP 135 N 0.15 0.00 -0.91 5.60 -0.00 -1.29 -3.37 115.95 116.13 1cw3 h TRP 135 Ca -0.03 0.00 0.24 0.00 -0.00 0.00 0.00 58.89 59.10 1cw3 h TRP 135 Cb 1.32 0.00 -0.16 0.00 -0.00 0.00 0.00 29.16 30.32 1cw3 h TRP 135 CO 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 178.44 178.55 1cw3 h ALA 136 N 2.20 1.12 -0.29 1.49 0.00 -1.50 -2.43 119.26 119.85 1cw3 h ALA 136 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 1cw3 h ALA 136 Cb 0.58 0.48 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 1cw3 h ALA 136 CO 0.00 -0.52 -0.58 -0.40 0.00 0.00 0.00 179.25 177.75 1cw3 n ASP 137 N -5.39 2.95 0.00 0.00 3.85 -1.26 -4.67 116.55 112.03 1cw3 n ASP 137 Ca 0.21 -3.85 0.00 0.00 -0.71 0.00 0.00 54.79 50.44 1cw3 n ASP 137 Cb 0.68 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 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 -0.97 -0.27 -2.86 0.11 5.02 -0.92 -4.91 118.16 113.36 1cw3 n LYS 138 Ca 0.29 -0.29 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1cw3 n LYS 138 Cb 0.81 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.02 4.79 -2.13 2.13 9.36 -1.23 -4.99 117.16 125.07 1cw3 n TYR 139 Ca 0.00 -3.27 -0.37 0.00 3.32 0.00 0.00 57.90 57.58 1cw3 n TYR 139 Cb 0.16 -2.22 0.01 0.00 -0.63 0.00 0.00 39.34 36.67 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 1.72 2.68 0.00 2.98 3.76 -1.26 -4.83 115.29 120.34 1cw3 s HIS 140 Ca 0.44 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.85 1cw3 s HIS 140 Cb -0.01 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.21 1cw3 s HIS 140 CO 0.01 -1.88 0.00 0.41 -0.85 0.00 0.00 174.74 172.43 1cw3 n GLY 141 N 0.48 0.49 3.16 -2.22 0.00 -1.26 -4.92 105.19 100.91 1cw3 n GLY 141 Ca 0.09 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 1.38 0.82 -0.21 1.61 1.02 -1.23 -4.94 119.74 118.19 1cw3 s LYS 142 Ca 0.00 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.63 1cw3 s LYS 142 Cb 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1cw3 s LYS 142 CO 0.00 -0.07 -0.10 0.95 -0.92 0.00 0.00 175.35 175.21 1cw3 s THR 143 N -3.73 2.87 -0.16 2.17 -4.23 -1.26 -0.66 115.64 110.64 1cw3 s THR 143 Ca 0.13 -0.67 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1cw3 s THR 143 Cb 0.06 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1cw3 s THR 143 CO -0.05 0.47 0.05 -0.63 -0.54 0.00 0.00 174.62 173.92 1cw3 s ILE 144 N 1.41 4.71 -1.52 2.99 1.01 0.57 -4.97 121.20 125.40 1cw3 s ILE 144 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1cw3 s ILE 144 Cb -0.14 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 1cw3 s ILE 144 CO -0.07 0.49 2.94 -0.81 0.00 0.00 0.00 174.94 177.49 1cw3 n PRO 145 N 3.27 3.71 -1.63 2.79 -0.04 -1.26 -3.78 135.00 138.06 1cw3 n PRO 145 Ca -0.17 -2.27 -0.33 0.00 -0.04 0.00 0.00 63.50 60.69 1cw3 n PRO 145 Cb 0.53 -2.75 0.06 0.00 -0.04 0.00 0.00 33.50 31.30 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 1.79 2.92 0.88 0.52 2.07 -1.26 -5.02 121.20 123.11 1cw3 s ILE 146 Ca 0.68 0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 60.25 1cw3 s ILE 146 Cb 0.19 -2.95 0.12 0.00 0.13 0.00 0.00 42.46 39.95 1cw3 s ILE 146 CO -0.06 -0.26 1.10 -1.81 -1.91 0.00 0.00 174.94 171.99 1cw3 s ASP 147 N -2.42 3.49 0.15 4.50 1.01 -1.26 -4.79 116.67 117.36 1cw3 s ASP 147 Ca 0.69 1.70 0.00 0.00 0.71 0.00 0.00 52.55 55.65 1cw3 s ASP 147 Cb -0.23 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1cw3 s ASP 147 CO 0.43 -2.66 0.00 0.61 0.21 0.00 0.00 175.17 173.76 1cw3 n GLY 148 N -0.80 -1.66 2.62 0.21 0.00 -1.26 -4.38 105.19 99.93 1cw3 n GLY 148 Ca 0.08 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.50 5.41 -4.06 1.61 8.00 -1.26 -4.73 116.55 119.03 1cw3 n ASP 149 Ca 0.00 -2.80 -0.13 0.00 0.71 0.00 0.00 54.79 52.58 1cw3 n ASP 149 Cb 0.27 -1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 39.65 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 2.57 0.64 -0.34 1.24 0.40 -1.26 -0.90 117.98 120.32 1cw3 s PHE 150 Ca 0.53 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 56.26 1cw3 s PHE 150 Cb 0.15 -0.39 0.03 0.00 0.51 0.00 0.00 43.02 43.33 1cw3 s PHE 150 CO -0.07 -0.10 0.13 0.12 0.70 0.00 0.00 175.22 176.00 1cw3 s PHE 151 N -1.48 3.25 -0.02 0.36 5.36 0.14 -4.75 117.98 120.84 1cw3 s PHE 151 Ca -0.10 -1.28 0.02 0.00 -0.96 0.00 0.00 56.93 54.62 1cw3 s PHE 151 Cb -0.09 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1cw3 s PHE 151 CO 0.00 -0.70 -0.06 0.45 -1.46 0.00 0.00 175.22 173.45 1cw3 s SER 152 N 1.45 4.67 0.20 6.13 0.15 -1.25 -0.35 113.70 124.69 1cw3 s SER 152 Ca -0.01 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.32 1cw3 s SER 152 Cb -0.19 -1.12 0.05 0.00 -1.71 0.00 0.00 66.02 63.05 1cw3 s SER 152 CO 0.04 0.31 0.65 -0.72 1.20 0.00 0.00 173.24 174.72 1cw3 s TYR 153 N -0.95 -0.41 0.12 3.44 -0.85 -0.74 -0.31 117.35 117.65 1cw3 s TYR 153 Ca 0.16 0.11 0.11 0.00 -0.52 0.00 0.00 57.07 56.93 1cw3 s TYR 153 Cb -0.11 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1cw3 s TYR 153 CO 0.06 -0.98 -0.26 0.95 -1.52 0.00 0.00 175.55 173.80 1cw3 s THR 154 N -3.79 2.34 -0.14 -3.49 -4.23 0.16 -0.10 115.64 106.39 1cw3 s THR 154 Ca 0.05 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1cw3 s THR 154 Cb -0.03 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 1cw3 s THR 154 CO -0.06 0.11 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.90 1cw3 s ARG 155 N -2.02 3.46 -0.61 3.99 0.52 0.57 -3.51 118.95 121.35 1cw3 s ARG 155 Ca 0.14 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1cw3 s ARG 155 Cb -0.10 -2.72 0.12 0.00 0.52 0.00 0.00 34.95 32.76 1cw3 s ARG 155 CO 0.06 0.20 0.69 -1.01 0.02 0.00 0.00 175.30 175.26 1cw3 s HIS 156 N 0.40 3.09 0.38 -0.53 3.76 -1.26 -1.78 115.29 119.34 1cw3 s HIS 156 Ca -0.08 -1.09 0.07 0.00 -0.15 0.00 0.00 55.06 53.80 1cw3 s HIS 156 Cb -0.15 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.56 1cw3 s HIS 156 CO 0.05 -1.24 0.53 -1.21 -0.85 0.00 0.00 174.74 172.01 1cw3 s GLU 157 N 2.36 2.98 0.44 1.40 2.02 -0.62 -4.93 118.70 122.35 1cw3 s GLU 157 Ca 0.11 -1.08 -0.22 0.00 0.02 0.00 0.00 54.97 53.79 1cw3 s GLU 157 Cb -0.24 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 1cw3 s GLU 157 CO 0.04 -0.11 1.04 -2.14 0.02 0.00 0.00 175.26 174.12 1cw3 s PRO 158 N -4.27 4.01 0.51 0.39 0.02 -1.26 -0.80 135.00 133.59 1cw3 s PRO 158 Ca 0.50 1.44 0.28 0.00 0.02 0.00 0.00 61.00 63.24 1cw3 s PRO 158 Cb -0.10 -2.34 1.33 0.00 0.02 0.00 0.00 34.50 33.41 1cw3 s PRO 158 CO 0.32 -0.26 2.00 -0.24 -0.33 0.00 0.00 177.00 178.49 1cw3 h VAL 159 N 1.92 0.48 0.00 3.83 3.04 -1.76 -3.39 116.25 120.37 1cw3 h VAL 159 Ca -0.49 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1cw3 h VAL 159 Cb 1.22 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1cw3 h VAL 159 CO 0.61 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.91 1cw3 n GLY 160 N -0.38 0.18 3.64 3.17 0.00 -1.26 -4.79 105.19 105.75 1cw3 n GLY 160 Ca -0.01 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 4.58 -0.14 1.61 1.01 -1.26 -2.32 120.40 123.87 1cw3 s VAL 161 Ca 0.00 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.77 1cw3 s VAL 161 Cb 0.00 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1cw3 s VAL 161 CO 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 175.10 174.66 1cw3 s GLY 163 N 0.34 2.12 -0.18 0.00 0.00 0.82 -1.05 107.32 109.37 1cw3 s GLY 163 Ca -0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 1cw3 s GLY 163 CO 0.04 0.20 -0.06 1.20 0.00 0.00 0.00 173.10 174.48 1cw3 s GLN 164 N 0.24 1.59 -0.22 2.90 -0.21 -0.40 -0.86 119.66 122.70 1cw3 s GLN 164 Ca 0.12 -0.61 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1cw3 s GLN 164 Cb -0.12 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1cw3 s GLN 164 CO 0.01 -0.44 0.01 0.42 -2.12 0.00 0.00 175.29 173.17 1cw3 s ILE 165 N 1.57 3.95 0.15 1.08 1.01 -0.59 -0.24 121.20 128.13 1cw3 s ILE 165 Ca -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.43 1cw3 s ILE 165 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1cw3 s ILE 165 CO -0.08 0.40 -0.19 0.27 0.00 0.00 0.00 174.94 175.35 1cw3 s ILE 166 N 1.23 1.83 0.00 2.92 -4.36 -0.86 -1.93 121.20 120.03 1cw3 s ILE 166 Ca 0.04 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1cw3 s ILE 166 Cb -0.15 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.76 1cw3 s ILE 166 CO 0.01 -0.25 0.00 -0.81 0.24 0.00 0.00 174.94 174.14 1cw3 n PRO 167 N 0.46 0.14 -0.00 0.37 -0.04 -1.21 -2.71 135.00 132.01 1cw3 n PRO 167 Ca -0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1cw3 n PRO 167 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.72 0.00 0.18 0.54 4.27 -1.26 -4.23 117.44 115.23 1cw3 n TRP 168 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 1cw3 n TRP 168 Cb 0.00 -0.01 0.36 0.00 -1.36 0.00 0.00 31.31 30.30 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 0.00 0.00 -1.75 -0.67 -1.07 -1.97 -3.33 115.58 106.78 1cw3 h ASN 169 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 1cw3 h ASN 169 Cb 0.31 0.00 -0.36 0.00 -2.07 0.00 0.00 38.32 36.20 1cw3 h ASN 169 CO 0.00 0.38 -1.04 0.49 0.07 0.00 0.00 177.43 177.33 1cw3 n PHE 170 N -4.01 -0.67 -0.28 4.14 3.01 -1.26 -5.04 117.46 113.36 1cw3 n PHE 170 Ca -0.02 -3.37 -0.11 0.00 1.01 0.00 0.00 57.45 54.96 1cw3 n PHE 170 Cb 0.43 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 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 3.86 -0.15 -0.24 -1.08 0.11 -1.80 0.15 132.00 132.85 1cw3 h PRO 171 Ca 0.05 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1cw3 h PRO 171 Cb 0.91 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1cw3 h PRO 171 CO 0.45 -0.10 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.95 1cw3 h LEU 172 N -0.15 0.52 -0.60 2.35 3.38 -1.94 -2.79 115.31 116.08 1cw3 h LEU 172 Ca 0.11 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1cw3 h LEU 172 Cb 0.45 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1cw3 h LEU 172 CO -0.73 0.82 0.21 0.25 0.09 0.00 0.00 178.44 179.08 1cw3 h LEU 173 N 0.23 0.86 -1.34 1.67 5.85 -1.79 -0.87 115.31 119.92 1cw3 h LEU 173 Ca 0.05 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1cw3 h LEU 173 Cb 0.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1cw3 h LEU 173 CO 0.04 0.82 -0.11 0.24 -0.34 0.00 0.00 178.44 179.09 1cw3 h MET 174 N 0.85 0.32 -0.34 1.25 2.86 -0.75 0.15 114.93 119.27 1cw3 h MET 174 Ca 0.20 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 1cw3 h MET 174 Cb 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1cw3 h MET 174 CO -0.01 0.43 -0.38 0.37 1.06 0.00 0.00 176.91 178.38 1cw3 h GLN 175 N 0.30 0.85 -0.53 1.72 4.15 -1.17 -3.09 115.11 117.34 1cw3 h GLN 175 Ca 0.06 -0.47 -0.06 0.00 0.77 0.00 0.00 58.65 58.95 1cw3 h GLN 175 Cb 0.38 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1cw3 h GLN 175 CO 0.02 1.11 0.09 0.00 -1.93 0.00 0.00 178.83 178.11 1cw3 h ALA 176 N 0.73 0.70 -0.01 3.38 0.00 -0.46 -0.04 119.26 123.56 1cw3 h ALA 176 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1cw3 h ALA 176 Cb 0.98 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cw3 h ALA 176 CO 0.09 0.44 0.02 -1.49 0.00 0.00 0.00 179.25 178.32 1cw3 h TRP 177 N 0.76 0.00 0.01 0.00 4.06 -0.97 -0.82 115.95 118.99 1cw3 h TRP 177 Ca 0.16 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.70 1cw3 h TRP 177 Cb 0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.51 1cw3 h TRP 177 CO 0.03 0.00 -2.26 1.63 -3.56 0.00 0.00 178.44 174.28 1cw3 n LYS 178 N -3.33 0.60 -0.07 0.49 4.76 -0.98 -4.49 118.16 115.14 1cw3 n LYS 178 Ca -0.03 0.31 -0.06 0.00 -2.87 0.00 0.00 58.31 55.66 1cw3 n LYS 178 Cb 0.09 -1.56 0.12 0.00 -1.84 0.00 0.00 35.03 31.85 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 -0.83 0.72 0.29 -0.35 3.38 -0.86 -3.01 115.31 114.66 1cw3 h LEU 179 Ca -0.61 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1cw3 h LEU 179 Cb 1.61 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1cw3 h LEU 179 CO -0.32 0.91 -0.48 1.23 0.09 0.00 0.00 178.44 179.86 1cw3 h GLY 180 N 0.98 -1.20 1.42 0.83 0.00 -1.39 -0.52 103.07 103.18 1cw3 h GLY 180 Ca 0.10 0.61 -0.14 0.00 0.00 0.00 0.00 47.33 47.90 1cw3 h GLY 180 CO 0.05 -0.33 -0.40 -0.56 0.00 0.00 0.00 176.54 175.30 1cw3 h PRO 181 N -0.82 0.64 0.17 4.80 0.13 -1.79 -2.23 132.00 132.90 1cw3 h PRO 181 Ca -0.03 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1cw3 h PRO 181 Cb 0.76 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1cw3 h PRO 181 CO -0.16 0.93 -0.08 0.00 -0.23 0.00 0.00 178.00 178.46 1cw3 h ALA 182 N 1.03 -0.23 -0.07 -0.56 0.00 -1.49 -2.68 119.26 115.26 1cw3 h ALA 182 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1cw3 h ALA 182 Cb 0.92 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1cw3 h ALA 182 CO 0.08 -0.52 -0.34 -0.07 0.00 0.00 0.00 179.25 178.40 1cw3 h LEU 183 N -0.44 0.15 -1.32 0.00 3.38 -1.16 -1.90 115.31 114.01 1cw3 h LEU 183 Ca -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1cw3 h LEU 183 Cb 0.35 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1cw3 h LEU 183 CO 0.04 0.49 -0.34 0.00 0.09 0.00 0.00 178.44 178.71 1cw3 h ALA 184 N 1.52 1.38 -0.65 1.53 0.00 -1.33 -2.90 119.26 118.82 1cw3 h ALA 184 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cw3 h ALA 184 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cw3 h ALA 184 CO 0.05 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.97 1cw3 n THR 185 N -4.05 1.32 -1.03 0.00 -2.24 -1.02 -4.23 114.28 103.02 1cw3 n THR 185 Ca -0.02 -1.01 -0.01 0.00 -2.27 0.00 0.00 64.05 60.74 1cw3 n THR 185 Cb 0.39 0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.35 0.47 3.95 3.38 0.00 -1.09 -4.07 105.19 109.17 1cw3 n GLY 186 Ca 0.24 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.87 3.52 0.04 1.61 0.01 -0.74 -4.82 114.94 111.70 1cw3 s ASN 187 Ca 0.00 0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.35 1cw3 s ASN 187 Cb 0.00 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.34 1cw3 s ASN 187 CO 0.00 -2.45 -0.18 0.68 -1.51 0.00 0.00 177.10 173.64 1cw3 s VAL 188 N -3.67 1.45 0.14 1.60 -7.23 -0.98 -4.69 120.40 107.01 1cw3 s VAL 188 Ca 0.71 -1.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1cw3 s VAL 188 Cb -0.05 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1cw3 s VAL 188 CO 0.50 0.13 -0.15 0.68 -0.31 0.00 0.00 175.10 175.95 1cw3 s VAL 189 N -0.81 1.48 -0.26 1.32 -7.23 0.94 -0.61 120.40 115.22 1cw3 s VAL 189 Ca 0.05 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1cw3 s VAL 189 Cb -0.08 -1.65 0.08 0.00 0.56 0.00 0.00 36.38 35.29 1cw3 s VAL 189 CO 0.02 -0.40 0.05 -0.69 -0.31 0.00 0.00 175.10 173.76 1cw3 s VAL 190 N -2.16 1.01 -0.15 1.32 1.01 -0.21 -0.94 120.40 120.27 1cw3 s VAL 190 Ca 0.11 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1cw3 s VAL 190 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1cw3 s VAL 190 CO 0.04 -0.42 0.11 -0.32 0.00 0.00 0.00 175.10 174.51 1cw3 s MET 191 N 1.59 3.75 -0.39 2.72 1.75 0.13 -1.27 119.30 127.57 1cw3 s MET 191 Ca 0.04 -0.23 -0.03 0.00 -1.25 0.00 0.00 55.69 54.22 1cw3 s MET 191 Cb -0.18 -3.23 0.10 0.00 2.84 0.00 0.00 34.83 34.36 1cw3 s MET 191 CO -0.15 0.52 0.17 0.21 -0.65 0.00 0.00 175.02 175.11 1cw3 s LYS 192 N -0.29 2.11 0.58 4.11 2.36 0.67 -0.36 119.74 128.92 1cw3 s LYS 192 Ca 0.10 -1.69 -0.14 0.00 -2.55 0.00 0.00 55.97 51.69 1cw3 s LYS 192 Cb -0.12 -3.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.10 1cw3 s LYS 192 CO 0.01 -0.98 1.02 0.14 1.55 0.00 0.00 175.35 177.09 1cw3 s VAL 193 N 1.18 4.50 0.35 4.02 -7.23 -1.25 -2.02 120.40 119.93 1cw3 s VAL 193 Ca 0.05 1.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.95 1cw3 s VAL 193 Cb -0.22 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 32.89 1cw3 s VAL 193 CO -0.03 -0.87 1.39 0.00 -0.31 0.00 0.00 175.10 175.27 1cw3 s ALA 194 N -2.87 3.53 0.44 1.32 0.00 -1.10 -4.31 121.76 118.78 1cw3 s ALA 194 Ca 0.58 1.39 0.22 0.00 0.00 0.00 0.00 51.96 54.15 1cw3 s ALA 194 Cb -0.11 -3.54 1.27 0.00 0.00 0.00 0.00 23.12 20.74 1cw3 s ALA 194 CO 0.43 -0.82 2.05 1.05 0.00 0.00 0.00 175.76 178.47 1cw3 h GLU 195 N 3.29 0.00 0.00 0.00 9.09 -1.91 -2.70 114.58 122.35 1cw3 h GLU 195 Ca -0.50 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.85 1cw3 h GLU 195 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 1cw3 h GLU 195 CO 0.65 0.14 -0.29 1.96 0.05 0.00 0.00 179.01 181.52 1cw3 h GLN 196 N 0.00 0.00 -1.43 1.06 7.50 -1.91 -3.39 115.11 116.94 1cw3 h GLN 196 Ca -0.00 0.00 -0.44 0.00 0.50 0.00 0.00 58.65 58.71 1cw3 h GLN 196 Cb 0.31 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 27.54 1cw3 h GLN 196 CO 0.02 0.29 -0.87 0.25 -1.50 0.00 0.00 178.83 177.02 1cw3 n THR 197 N -3.28 -0.53 0.01 -0.54 -2.24 -1.04 -4.71 114.28 101.95 1cw3 n THR 197 Ca 0.01 -2.99 0.01 0.00 -2.27 0.00 0.00 64.05 58.82 1cw3 n THR 197 Cb 0.56 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.83 0.64 -0.03 -0.78 -0.04 -1.11 -4.45 135.00 131.07 1cw3 n PRO 198 Ca 0.19 0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1cw3 n PRO 198 Cb 0.55 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.09 -0.78 1.53 3.38 -1.90 -2.83 115.31 113.63 1cw3 h LEU 199 Ca -0.19 0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cw3 h LEU 199 Cb 1.55 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 1cw3 h LEU 199 CO 0.03 -0.36 0.51 0.71 0.09 0.00 0.00 178.44 179.42 1cw3 h THR 200 N -0.38 1.20 -0.29 0.22 1.35 -1.87 -2.06 112.91 111.07 1cw3 h THR 200 Ca 0.11 -0.38 -0.07 0.00 -0.55 0.00 0.00 66.41 65.52 1cw3 h THR 200 Cb 0.56 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 1cw3 h THR 200 CO -0.40 0.20 -0.13 0.00 -0.25 0.00 0.00 175.52 174.94 1cw3 h ALA 201 N 1.28 1.24 -0.37 6.62 0.00 -1.85 -1.57 119.26 124.60 1cw3 h ALA 201 Ca 0.29 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 201 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1cw3 h ALA 201 CO -0.06 0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 179.38 1cw3 h LEU 202 N 0.46 0.75 -0.51 0.00 3.38 -1.21 -2.44 115.31 115.75 1cw3 h LEU 202 Ca 0.09 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1cw3 h LEU 202 Cb 0.50 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1cw3 h LEU 202 CO 0.03 0.96 -0.12 0.22 0.09 0.00 0.00 178.44 179.62 1cw3 h TYR 203 N 0.65 1.10 -0.80 1.13 3.20 -0.94 -2.72 116.97 118.58 1cw3 h TYR 203 Ca 0.09 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 61.79 1cw3 h TYR 203 Cb 0.74 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1cw3 h TYR 203 CO 0.04 1.04 0.53 0.28 -1.64 0.00 0.00 178.16 178.40 1cw3 h VAL 204 N 0.84 1.05 -0.30 1.81 2.07 -1.08 -0.02 116.25 120.62 1cw3 h VAL 204 Ca 0.13 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1cw3 h VAL 204 Cb 0.68 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1cw3 h VAL 204 CO 0.05 0.16 0.18 0.00 0.02 0.00 0.00 177.57 177.98 1cw3 h ALA 205 N 1.56 1.76 -0.35 1.67 0.00 -1.12 0.19 119.26 122.98 1cw3 h ALA 205 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1cw3 h ALA 205 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cw3 h ALA 205 CO -0.12 0.21 -0.22 -0.97 0.00 0.00 0.00 179.25 178.15 1cw3 h ASN 206 N 0.40 0.68 0.70 0.00 -1.24 -0.95 -2.22 115.58 112.95 1cw3 h ASN 206 Ca 0.11 -0.24 -0.12 0.00 0.71 0.00 0.00 56.30 56.76 1cw3 h ASN 206 Cb -0.02 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 1cw3 h ASN 206 CO -0.02 0.89 -0.56 -0.07 -1.29 0.00 0.00 177.43 176.38 1cw3 h LEU 207 N 0.59 0.00 -0.88 0.34 3.38 -0.45 -2.01 115.31 116.28 1cw3 h LEU 207 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1cw3 h LEU 207 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1cw3 h LEU 207 CO 0.05 0.56 -0.18 0.40 0.09 0.00 0.00 178.44 179.36 1cw3 h ILE 208 N 0.00 1.26 -0.05 1.22 2.04 -0.20 0.27 117.51 122.04 1cw3 h ILE 208 Ca -0.01 -1.21 -0.21 0.00 1.00 0.00 0.00 64.86 64.44 1cw3 h ILE 208 Cb 1.06 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1cw3 h ILE 208 CO 0.07 0.40 -0.83 0.50 0.00 0.00 0.00 178.15 178.29 1cw3 h LYS 209 N 0.55 0.45 -0.39 2.37 3.64 -1.21 -2.76 116.57 119.23 1cw3 h LYS 209 Ca 0.09 -0.42 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1cw3 h LYS 209 Cb 0.63 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1cw3 h LYS 209 CO 0.04 1.06 -0.29 1.49 -2.27 0.00 0.00 179.45 179.49 1cw3 h GLU 210 N 0.29 0.84 0.00 1.90 4.81 -0.95 -2.76 114.58 118.71 1cw3 h GLU 210 Ca -0.05 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1cw3 h GLU 210 Cb 1.43 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1cw3 h GLU 210 CO 0.15 1.02 -0.04 0.00 -0.73 0.00 0.00 179.01 179.40 1cw3 h ALA 211 N 0.96 1.35 0.00 2.92 0.00 -0.44 -3.46 119.26 120.58 1cw3 h ALA 211 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 211 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cw3 h ALA 211 CO 0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1cw3 n GLY 212 N -1.02 1.16 3.73 0.00 0.00 -1.04 -4.89 105.19 103.12 1cw3 n GLY 212 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.08 0.68 1.61 0.40 -1.05 -4.95 117.98 115.75 1cw3 s PHE 213 Ca 0.00 0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 57.07 1cw3 s PHE 213 Cb 0.00 -3.82 -0.01 0.00 0.51 0.00 0.00 43.02 39.70 1cw3 s PHE 213 CO 0.00 -2.81 1.04 -2.30 0.70 0.00 0.00 175.22 171.85 1cw3 n PRO 214 N 3.08 0.72 -1.68 0.24 -0.02 -1.26 -4.77 135.00 131.30 1cw3 n PRO 214 Ca 0.10 0.30 -0.44 0.00 -2.02 0.00 0.00 63.50 61.43 1cw3 n PRO 214 Cb 0.40 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.69 2.14 -0.14 0.52 -0.02 -1.26 -2.38 135.00 132.16 1cw3 n PRO 215 Ca 0.14 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1cw3 n PRO 215 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.96 2.07 0.21 -1.23 0.00 -1.26 -4.66 105.19 102.27 1cw3 n GLY 216 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 1.26 -3.15 1.61 2.07 -1.78 -3.31 116.25 112.95 1cw3 h VAL 217 Ca 0.00 -1.00 -0.57 0.00 0.82 0.00 0.00 66.70 65.95 1cw3 h VAL 217 Cb 0.00 1.17 -0.36 0.00 -1.52 0.00 0.00 31.29 30.58 1cw3 h VAL 217 CO 0.00 0.33 -0.82 -0.69 0.02 0.00 0.00 177.57 176.41 1cw3 s VAL 218 N -4.99 1.33 -0.11 2.57 1.01 -1.26 -0.04 120.40 118.91 1cw3 s VAL 218 Ca -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1cw3 s VAL 218 Cb 0.10 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1cw3 s VAL 218 CO 0.79 0.42 -0.16 0.20 0.00 0.00 0.00 175.10 176.34 1cw3 s ASN 219 N 1.55 2.53 -0.18 3.32 0.01 -0.12 -4.68 114.94 117.38 1cw3 s ASN 219 Ca 0.04 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 1cw3 s ASN 219 Cb -0.13 -1.14 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 1cw3 s ASN 219 CO -0.09 0.03 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.85 1cw3 s ILE 220 N 0.95 3.66 -0.37 0.60 1.01 0.31 0.20 121.20 127.57 1cw3 s ILE 220 Ca -0.07 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1cw3 s ILE 220 Cb -0.15 -2.62 0.10 0.00 0.01 0.00 0.00 42.46 39.80 1cw3 s ILE 220 CO -0.01 0.46 0.10 -0.69 0.00 0.00 0.00 174.94 174.79 1cw3 s VAL 221 N 0.82 2.47 0.34 2.92 1.01 0.51 -0.49 120.40 127.99 1cw3 s VAL 221 Ca -0.01 -2.40 -0.26 0.00 0.00 0.00 0.00 61.98 59.31 1cw3 s VAL 221 Cb -0.15 -2.79 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 1cw3 s VAL 221 CO 0.02 -0.63 0.99 -2.16 0.00 0.00 0.00 175.10 173.31 1cw3 s PRO 222 N 0.82 4.47 0.00 2.72 0.04 -1.26 -3.94 135.00 137.84 1cw3 s PRO 222 Ca 0.11 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1cw3 s PRO 222 Cb -0.20 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1cw3 s PRO 222 CO -0.07 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1cw3 n GLY 223 N 0.55 -0.57 3.98 0.56 0.00 -1.26 -0.42 105.19 108.03 1cw3 n GLY 223 Ca 0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 2.97 -0.04 1.61 0.40 -1.26 -3.65 117.98 115.01 1cw3 s PHE 224 Ca 0.00 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.14 1cw3 s PHE 224 Cb 0.00 -2.50 -0.09 0.00 0.51 0.00 0.00 43.02 40.94 1cw3 s PHE 224 CO 0.00 -0.57 0.64 0.78 0.70 0.00 0.00 175.22 176.77 1cw3 h GLY 225 N 0.34 -0.48 2.00 4.36 0.00 -1.96 -1.91 103.07 105.42 1cw3 h GLY 225 Ca -0.43 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1cw3 h GLY 225 CO 0.52 -0.18 0.00 -2.55 0.00 0.00 0.00 176.54 174.34 1cw3 h PRO 226 N -1.09 0.00 0.00 4.80 0.11 -1.97 0.05 132.00 133.90 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 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1cw3 h PRO 226 CO 0.08 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.12 1cw3 n THR 227 N -2.53 0.00 -0.14 -1.15 -2.24 -1.24 -4.35 114.28 102.63 1cw3 n THR 227 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1cw3 n THR 227 Cb 0.05 -0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.53 0.72 6.98 0.00 -1.49 -2.29 119.26 121.71 1cw3 h ALA 228 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1cw3 h ALA 228 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cw3 h ALA 228 CO 0.00 0.11 -0.50 0.78 0.00 0.00 0.00 179.25 179.64 1cw3 h GLY 229 N 0.52 -1.34 1.51 0.00 0.00 -0.99 -2.47 103.07 100.30 1cw3 h GLY 229 Ca 0.14 0.57 0.05 0.00 0.00 0.00 0.00 47.33 48.09 1cw3 h GLY 229 CO -0.01 -0.43 0.21 0.00 0.00 0.00 0.00 176.54 176.30 1cw3 h ALA 230 N -1.08 2.07 -0.79 3.60 0.00 -1.08 -1.12 119.26 120.84 1cw3 h ALA 230 Ca -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1cw3 h ALA 230 Cb 0.95 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1cw3 h ALA 230 CO 0.05 -0.13 0.35 0.00 0.00 0.00 0.00 179.25 179.52 1cw3 h ALA 231 N 1.84 1.11 0.29 0.00 0.00 -1.04 -0.98 119.26 120.48 1cw3 h ALA 231 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cw3 h ALA 231 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cw3 h ALA 231 CO -0.02 0.65 -0.14 0.82 0.00 0.00 0.00 179.25 180.56 1cw3 h ILE 232 N 1.14 0.61 -0.40 0.00 2.04 -0.79 -1.68 117.51 118.44 1cw3 h ILE 232 Ca 0.27 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1cw3 h ILE 232 Cb 0.17 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1cw3 h ILE 232 CO -0.03 0.13 0.35 0.00 0.00 0.00 0.00 178.15 178.60 1cw3 h ALA 233 N -0.45 2.22 -0.01 1.87 0.00 -1.31 -1.65 119.26 119.93 1cw3 h ALA 233 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cw3 h ALA 233 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cw3 h ALA 233 CO 0.06 -0.56 -0.46 0.43 0.00 0.00 0.00 179.25 178.73 1cw3 n SER 234 N -4.06 1.84 -4.75 0.00 7.64 -0.38 -3.77 113.62 110.14 1cw3 n SER 234 Ca 0.07 -1.42 -0.41 0.00 1.01 0.00 0.00 58.87 58.11 1cw3 n SER 234 Cb 0.53 0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 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 -2.32 2.85 -1.29 1.43 5.04 -0.62 -4.76 115.29 115.61 1cw3 s HIS 235 Ca 0.16 0.81 0.20 0.00 -1.54 0.00 0.00 55.06 54.70 1cw3 s HIS 235 Cb 0.16 -4.00 0.96 0.00 0.04 0.00 0.00 32.58 29.74 1cw3 s HIS 235 CO 0.53 -3.38 1.63 0.39 -2.34 0.00 0.00 174.74 171.58 1cw3 n GLU 236 N 2.40 0.19 -0.08 2.88 -0.58 -1.26 -3.32 120.64 120.87 1cw3 n GLU 236 Ca 0.08 0.12 0.07 0.00 -0.42 0.00 0.00 57.16 57.01 1cw3 n GLU 236 Cb 0.38 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.84 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 -1.35 2.04 -4.51 1.62 2.03 -1.26 -4.85 116.55 110.26 1cw3 n ASP 237 Ca 0.08 -2.71 -0.40 0.00 0.52 0.00 0.00 54.79 52.28 1cw3 n ASP 237 Cb 0.18 -0.30 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.16 5.15 0.15 5.18 1.01 -1.21 -4.75 120.40 123.77 1cw3 s VAL 238 Ca 0.21 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1cw3 s VAL 238 Cb 0.19 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1cw3 s VAL 238 CO 0.02 -0.02 1.39 0.44 0.00 0.00 0.00 175.10 176.93 1cw3 h ASP 239 N 8.47 0.72 -4.73 3.32 3.32 -1.35 -3.42 116.42 122.75 1cw3 h ASP 239 Ca -0.31 -0.45 -0.18 0.00 0.02 0.00 0.00 57.03 56.11 1cw3 h ASP 239 Cb 1.15 -0.21 -0.22 0.00 0.22 0.00 0.00 39.33 40.27 1cw3 h ASP 239 CO 0.64 1.22 -0.68 -0.75 -1.72 0.00 0.00 179.24 177.95 1cw3 s LYS 240 N -3.74 0.27 -0.06 3.56 2.36 -0.93 -1.37 119.74 119.82 1cw3 s LYS 240 Ca -0.08 -0.46 0.02 0.00 -2.55 0.00 0.00 55.97 52.90 1cw3 s LYS 240 Cb 0.10 0.10 0.02 0.00 -1.05 0.00 0.00 37.83 36.99 1cw3 s LYS 240 CO 0.87 -0.05 -0.10 0.54 1.55 0.00 0.00 175.35 178.16 1cw3 s VAL 241 N -1.15 0.96 -0.22 4.02 0.11 0.09 -0.13 120.40 124.08 1cw3 s VAL 241 Ca -0.13 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1cw3 s VAL 241 Cb -0.08 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1cw3 s VAL 241 CO -0.01 0.32 -0.15 0.00 -3.33 0.00 0.00 175.10 171.93 1cw3 s ALA 242 N 0.79 2.41 -0.02 1.54 0.00 -0.04 -2.16 121.76 124.29 1cw3 s ALA 242 Ca -0.13 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.45 1cw3 s ALA 242 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1cw3 s ALA 242 CO 0.02 -0.75 -0.23 0.12 0.00 0.00 0.00 175.76 174.91 1cw3 s PHE 243 N 1.21 2.42 -0.09 0.00 5.36 -0.92 -1.55 117.98 124.41 1cw3 s PHE 243 Ca -0.02 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 1cw3 s PHE 243 Cb -0.16 -1.52 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1cw3 s PHE 243 CO -0.09 0.03 -0.03 0.99 -1.46 0.00 0.00 175.22 174.66 1cw3 s THR 244 N -0.66 0.67 -2.03 0.12 2.01 -0.81 -0.09 115.64 114.84 1cw3 s THR 244 Ca 0.11 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1cw3 s THR 244 Cb -0.10 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1cw3 s THR 244 CO -0.00 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1cw3 n GLY 245 N 5.03 -0.67 3.77 4.40 0.00 -0.25 -3.32 105.19 114.16 1cw3 n GLY 245 Ca -0.10 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 6.13 0.32 1.61 1.04 -1.26 -3.15 113.70 114.39 1cw3 s SER 246 Ca 0.00 2.23 0.03 0.00 0.48 0.00 0.00 55.95 58.69 1cw3 s SER 246 Cb 0.00 -2.59 0.62 0.00 0.10 0.00 0.00 66.02 64.15 1cw3 s SER 246 CO 0.00 -0.94 1.92 0.74 0.98 0.00 0.00 173.24 175.93 1cw3 h THR 247 N 1.72 1.02 -0.16 2.02 2.02 -1.92 -0.94 112.91 116.68 1cw3 h THR 247 Ca -0.49 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1cw3 h THR 247 Cb 1.25 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1cw3 h THR 247 CO 0.60 0.17 -0.06 -0.08 0.37 0.00 0.00 175.52 176.51 1cw3 h GLU 248 N 0.92 -0.03 0.00 6.66 4.81 -1.95 -1.79 114.58 123.19 1cw3 h GLU 248 Ca 0.38 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1cw3 h GLU 248 Cb 0.29 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1cw3 h GLU 248 CO -0.15 -0.02 -0.11 0.82 -0.73 0.00 0.00 179.01 178.82 1cw3 h ILE 249 N -0.03 0.22 -0.84 2.32 1.08 -1.82 -2.94 117.51 115.50 1cw3 h ILE 249 Ca 0.09 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.49 1cw3 h ILE 249 Cb 0.16 1.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 1cw3 h ILE 249 CO -0.19 0.11 0.38 1.23 -0.69 0.00 0.00 178.15 178.99 1cw3 h GLY 250 N 2.94 1.31 1.00 5.37 0.00 -0.35 -0.08 103.07 113.26 1cw3 h GLY 250 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1cw3 h GLY 250 CO 0.01 0.63 0.18 3.21 0.00 0.00 0.00 176.54 180.58 1cw3 h ARG 251 N 1.20 0.89 -0.87 4.80 3.08 -1.24 -1.97 114.38 120.28 1cw3 h ARG 251 Ca 0.29 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1cw3 h ARG 251 Cb 0.15 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1cw3 h ARG 251 CO -0.03 0.80 0.45 0.28 -1.07 0.00 0.00 179.97 180.40 1cw3 h VAL 252 N 0.81 1.26 -0.21 2.04 2.07 -1.37 -1.81 116.25 119.03 1cw3 h VAL 252 Ca 0.19 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1cw3 h VAL 252 Cb 0.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1cw3 h VAL 252 CO -0.01 0.30 0.07 0.40 0.02 0.00 0.00 177.57 178.35 1cw3 h ILE 253 N 1.22 1.18 -0.55 4.57 1.08 -0.65 -1.46 117.51 122.90 1cw3 h ILE 253 Ca 0.30 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 1cw3 h ILE 253 Cb 0.06 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1cw3 h ILE 253 CO -0.04 0.18 0.08 -0.61 -0.69 0.00 0.00 178.15 177.07 1cw3 h GLN 254 N 0.18 0.92 -0.42 2.37 4.15 -1.21 -1.83 115.11 119.27 1cw3 h GLN 254 Ca 0.07 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.26 1cw3 h GLN 254 Cb 0.22 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1cw3 h GLN 254 CO -0.00 0.89 0.24 0.28 -1.93 0.00 0.00 178.83 178.31 1cw3 h VAL 255 N 0.81 1.04 -0.88 2.39 2.07 -1.25 -1.07 116.25 119.36 1cw3 h VAL 255 Ca 0.17 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1cw3 h VAL 255 Cb 0.42 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1cw3 h VAL 255 CO 0.01 0.09 0.58 0.00 0.02 0.00 0.00 177.57 178.27 1cw3 h ALA 256 N 1.19 1.11 -0.50 1.67 0.00 -1.02 0.14 119.26 121.86 1cw3 h ALA 256 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1cw3 h ALA 256 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1cw3 h ALA 256 CO -0.08 0.51 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1cw3 h ALA 257 N 1.32 0.65 -0.20 0.00 0.00 -0.74 -0.03 119.26 120.26 1cw3 h ALA 257 Ca 0.32 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 257 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1cw3 h ALA 257 CO -0.07 0.28 -0.29 0.78 0.00 0.00 0.00 179.25 179.94 1cw3 h GLY 258 N 0.66 0.42 2.00 0.00 0.00 -0.74 -1.00 103.07 104.41 1cw3 h GLY 258 Ca 0.16 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1cw3 h GLY 258 CO -0.01 0.32 -0.40 1.76 0.00 0.00 0.00 176.54 178.21 1cw3 h SER 259 N 0.34 0.00 0.00 0.19 0.02 -0.68 -3.42 113.55 110.00 1cw3 h SER 259 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1cw3 h SER 259 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1cw3 h SER 259 CO 0.05 0.40 0.00 -1.54 -1.14 0.00 0.00 176.83 174.60 1cw3 n SER 260 N -3.26 0.00 -1.44 3.07 3.41 -0.05 -4.95 113.62 110.40 1cw3 n SER 260 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1cw3 n SER 260 Cb 0.65 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.94 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 4.89 -2.35 4.04 6.94 -1.23 -4.95 115.26 122.60 1cw3 n ASN 261 Ca 0.00 -2.95 -0.20 0.00 -0.02 0.00 0.00 54.58 51.42 1cw3 n ASN 261 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 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 0.15 -2.05 -4.70 -4.53 4.77 -0.40 -4.95 117.00 105.28 1cw3 n LEU 262 Ca 0.25 -0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1cw3 n LEU 262 Cb 1.05 -2.78 0.02 0.00 -2.33 0.00 0.00 43.42 39.38 1cw3 n LEU 262 CO 0.25 -0.11 0.87 2.29 -1.33 0.00 0.00 177.39 179.36 1cw3 n LYS 263 N -3.08 1.81 -1.91 3.23 2.85 -1.25 -4.92 118.16 114.89 1cw3 n LYS 263 Ca -0.20 0.65 -0.40 0.00 -1.05 0.00 0.00 58.31 57.31 1cw3 n LYS 263 Cb 0.66 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 1cw3 n LYS 263 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1cw3 s ARG 264 N -2.34 3.90 -0.03 -1.58 3.00 -0.47 -4.80 118.95 116.63 1cw3 s ARG 264 Ca 0.64 2.34 0.03 0.00 0.00 0.00 0.00 55.73 58.74 1cw3 s ARG 264 Cb -0.49 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 31.69 1cw3 s ARG 264 CO 0.56 -0.62 -0.11 0.08 0.00 0.00 0.00 175.30 175.21 1cw3 s VAL 265 N -1.20 0.96 0.03 3.52 1.01 -1.26 -0.73 120.40 122.73 1cw3 s VAL 265 Ca 0.57 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1cw3 s VAL 265 Cb -0.42 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1cw3 s VAL 265 CO 0.55 0.29 -0.14 0.42 0.00 0.00 0.00 175.10 176.21 1cw3 s THR 266 N 0.16 1.14 -0.04 3.92 -4.23 -0.92 -4.93 115.64 110.76 1cw3 s THR 266 Ca -0.03 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1cw3 s THR 266 Cb -0.09 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.74 1cw3 s THR 266 CO 0.01 0.05 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.35 1cw3 s LEU 267 N -1.06 1.24 -0.55 4.79 1.43 -0.59 -2.17 118.68 121.78 1cw3 s LEU 267 Ca 0.02 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1cw3 s LEU 267 Cb -0.08 -0.34 0.14 0.00 0.03 0.00 0.00 46.19 45.94 1cw3 s LEU 267 CO 0.01 -0.08 0.35 -1.61 0.23 0.00 0.00 176.35 175.25 1cw3 s GLU 268 N 0.98 2.34 0.00 1.70 0.41 0.87 -1.13 118.70 123.86 1cw3 s GLU 268 Ca -0.10 -2.30 0.00 0.00 -0.41 0.00 0.00 54.97 52.16 1cw3 s GLU 268 Cb -0.14 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 1cw3 s GLU 268 CO -0.01 -1.14 0.00 1.28 -0.49 0.00 0.00 175.26 174.91 1cw3 n LEU 269 N 3.84 0.00 0.00 1.80 4.77 0.10 -1.09 117.00 126.43 1cw3 n LEU 269 Ca 0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1cw3 n LEU 269 Cb 0.39 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1cw3 n LEU 269 CO 0.33 -0.08 0.18 0.61 -1.33 0.00 0.00 177.39 177.10 1cw3 n GLY 270 N 5.00 0.38 3.84 -0.72 0.00 -1.19 -4.81 105.19 107.70 1cw3 n GLY 270 Ca 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.30 0.23 -0.39 -0.02 0.00 -1.21 -4.31 107.32 98.31 1cw3 s GLY 271 Ca 0.20 -0.53 0.11 0.00 0.00 0.00 0.00 44.72 44.50 1cw3 s GLY 271 CO 0.13 0.99 0.84 1.17 0.00 0.00 0.00 173.10 176.23 1cw3 n LYS 272 N -0.61 0.99 -1.88 2.90 3.00 -1.26 -4.56 118.16 116.74 1cw3 n LYS 272 Ca -0.06 -3.00 -0.42 0.00 -0.00 0.00 0.00 58.31 54.83 1cw3 n LYS 272 Cb 0.60 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 34.08 1cw3 n LYS 272 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1cw3 s SER 273 N -2.15 6.55 0.03 3.14 0.01 -1.23 -4.71 113.70 115.35 1cw3 s SER 273 Ca 0.35 2.62 -0.24 0.00 1.31 0.00 0.00 55.95 59.98 1cw3 s SER 273 Cb 0.34 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1cw3 s SER 273 CO -0.07 -0.89 0.73 -2.16 0.41 0.00 0.00 173.24 171.27 1cw3 s PRO 274 N 1.91 4.46 -0.38 12.44 0.04 -1.26 -2.03 135.00 150.19 1cw3 s PRO 274 Ca 0.73 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1cw3 s PRO 274 Cb -0.43 -3.36 0.08 0.00 0.04 0.00 0.00 34.50 30.82 1cw3 s PRO 274 CO 0.32 0.29 0.16 1.21 0.04 0.00 0.00 177.00 179.03 1cw3 s ASN 275 N -0.06 5.30 -0.24 6.66 3.84 0.56 -1.84 114.94 129.16 1cw3 s ASN 275 Ca 0.37 -1.58 -0.17 0.00 0.21 0.00 0.00 52.86 51.69 1cw3 s ASN 275 Cb -0.20 -1.86 -0.03 0.00 -0.55 0.00 0.00 41.25 38.61 1cw3 s ASN 275 CO 0.22 -0.45 0.48 -0.63 -2.79 0.00 0.00 177.10 173.93 1cw3 s ILE 276 N 1.29 5.11 -0.36 -5.21 1.01 0.07 -0.69 121.20 122.41 1cw3 s ILE 276 Ca 0.02 0.83 -0.06 0.00 0.00 0.00 0.00 60.65 61.45 1cw3 s ILE 276 Cb -0.22 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1cw3 s ILE 276 CO -0.01 0.14 0.14 -0.63 0.00 0.00 0.00 174.94 174.58 1cw3 s ILE 277 N 2.00 3.69 0.44 2.92 -1.09 0.87 -0.66 121.20 129.38 1cw3 s ILE 277 Ca 0.21 -1.36 -0.15 0.00 -2.23 0.00 0.00 60.65 57.12 1cw3 s ILE 277 Cb -0.15 -3.20 -0.08 0.00 -1.58 0.00 0.00 42.46 37.45 1cw3 s ILE 277 CO 0.09 -0.32 0.87 -0.04 -1.23 0.00 0.00 174.94 174.31 1cw3 s MET 278 N 1.35 3.93 0.59 2.79 -1.94 -0.43 -1.85 119.30 123.74 1cw3 s MET 278 Ca 0.00 0.76 0.29 0.00 -1.71 0.00 0.00 55.69 55.03 1cw3 s MET 278 Cb -0.21 -2.28 1.69 0.00 2.01 0.00 0.00 34.83 36.04 1cw3 s MET 278 CO 0.01 -0.10 2.11 0.66 -0.01 0.00 0.00 175.02 177.70 1cw3 h SER 279 N 1.35 0.00 -0.45 3.03 4.64 -1.89 -1.14 113.55 119.08 1cw3 h SER 279 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 1cw3 h SER 279 Cb 1.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 1cw3 h SER 279 CO 0.63 0.00 0.13 -0.90 -0.87 0.00 0.00 176.83 175.82 1cw3 n ASP 280 N -3.77 3.90 -4.85 4.97 5.75 -1.26 -4.93 116.55 116.35 1cw3 n ASP 280 Ca 0.01 -2.73 -0.32 0.00 -0.01 0.00 0.00 54.79 51.74 1cw3 n ASP 280 Cb 0.30 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.14 3.18 -0.65 2.12 0.00 -0.43 -3.25 121.76 120.59 1cw3 s ALA 281 Ca 0.36 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1cw3 s ALA 281 Cb 0.28 -2.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 1cw3 s ALA 281 CO 0.09 -0.04 1.65 0.34 0.00 0.00 0.00 175.76 177.80 1cw3 s ASP 282 N -2.85 5.61 0.18 0.00 2.15 -1.26 -4.89 116.67 115.61 1cw3 s ASP 282 Ca 0.57 0.08 -0.25 0.00 0.43 0.00 0.00 52.55 53.38 1cw3 s ASP 282 Cb -0.10 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.04 1cw3 s ASP 282 CO 0.27 -2.16 1.56 -0.03 -0.17 0.00 0.00 175.17 174.63 1cw3 h MET 283 N 13.13 -0.13 -0.23 4.34 1.85 -1.94 0.20 114.93 132.15 1cw3 h MET 283 Ca -0.27 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 58.88 1cw3 h MET 283 Cb 1.12 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.14 1cw3 h MET 283 CO 1.23 -0.09 -0.05 -0.44 -0.40 0.00 0.00 176.91 177.17 1cw3 h ASP 284 N -0.13 -0.20 -0.34 1.39 3.32 -2.00 -1.02 116.42 117.44 1cw3 h ASP 284 Ca 0.21 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1cw3 h ASP 284 Cb 0.54 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1cw3 h ASP 284 CO -0.81 -0.07 0.18 -0.25 -1.72 0.00 0.00 179.24 176.57 1cw3 h TRP 285 N 0.01 0.48 -0.77 4.55 -0.00 -1.82 -1.96 115.95 116.44 1cw3 h TRP 285 Ca 0.11 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.93 1cw3 h TRP 285 Cb 0.16 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.14 1cw3 h TRP 285 CO -0.23 0.40 0.29 0.00 -0.00 0.00 0.00 178.44 178.90 1cw3 h ALA 286 N 1.03 1.01 -0.29 2.65 0.00 -0.39 -0.72 119.26 122.55 1cw3 h ALA 286 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1cw3 h ALA 286 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cw3 h ALA 286 CO -0.02 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 180.10 1cw3 h VAL 287 N 1.13 1.28 -0.51 0.00 2.07 -1.08 0.74 116.25 119.88 1cw3 h VAL 287 Ca 0.26 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 1cw3 h VAL 287 Cb 0.24 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1cw3 h VAL 287 CO -0.02 0.34 -0.13 -0.08 0.02 0.00 0.00 177.57 177.70 1cw3 h GLU 288 N 0.31 0.99 -0.31 1.57 4.57 -1.24 -2.26 114.58 118.21 1cw3 h GLU 288 Ca 0.07 -0.38 -0.17 0.00 -1.18 0.00 0.00 59.36 57.70 1cw3 h GLU 288 Cb 0.53 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1cw3 h GLU 288 CO 0.03 1.06 -0.48 1.96 -1.18 0.00 0.00 179.01 180.39 1cw3 h GLN 289 N 0.86 0.86 -0.24 1.92 1.08 -1.09 -2.23 115.11 116.27 1cw3 h GLN 289 Ca 0.13 -0.51 -0.05 0.00 -1.45 0.00 0.00 58.65 56.77 1cw3 h GLN 289 Cb 0.70 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1cw3 h GLN 289 CO 0.05 1.15 -0.07 0.00 -0.95 0.00 0.00 178.83 179.01 1cw3 h ALA 290 N 0.76 1.44 -0.29 3.87 0.00 -0.80 0.36 119.26 124.60 1cw3 h ALA 290 Ca 0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1cw3 h ALA 290 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1cw3 h ALA 290 CO 0.11 0.39 -0.06 1.25 0.00 0.00 0.00 179.25 180.94 1cw3 h HIS 291 N 0.36 0.62 -0.51 0.00 -0.00 -1.24 -2.92 115.15 111.46 1cw3 h HIS 291 Ca 0.07 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.21 1cw3 h HIS 291 Cb 0.36 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1cw3 h HIS 291 CO 0.01 0.74 -0.11 0.35 -0.00 0.00 0.00 177.93 178.93 1cw3 h PHE 292 N 0.32 1.08 -0.62 5.26 3.04 -0.88 -1.31 116.94 123.83 1cw3 h PHE 292 Ca 0.07 -0.23 0.17 0.00 3.98 0.00 0.00 57.97 61.97 1cw3 h PHE 292 Cb 0.54 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 1cw3 h PHE 292 CO 0.05 1.02 0.44 0.00 -2.02 0.00 0.00 178.31 177.81 1cw3 h ALA 293 N 0.90 2.55 0.00 2.41 0.00 -0.17 -2.15 119.26 122.79 1cw3 h ALA 293 Ca 0.13 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1cw3 h ALA 293 Cb 0.66 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1cw3 h ALA 293 CO 0.05 -0.72 -1.98 -0.11 0.00 0.00 0.00 179.25 176.49 1cw3 n LEU 294 N -4.36 2.23 0.03 0.00 0.00 -1.11 -0.47 117.00 113.31 1cw3 n LEU 294 Ca 0.12 0.05 0.14 0.00 0.00 0.00 0.00 56.01 56.31 1cw3 n LEU 294 Cb 0.67 -0.56 0.55 0.00 0.00 0.00 0.00 43.42 44.08 1cw3 n LEU 294 CO 0.37 0.60 0.93 0.49 0.00 0.00 0.00 177.39 179.79 1cw3 n PHE 295 N -3.35 0.27 -1.66 1.96 3.01 -0.50 -3.66 117.46 113.52 1cw3 n PHE 295 Ca -0.32 0.08 -0.46 0.00 1.01 0.00 0.00 57.45 57.76 1cw3 n PHE 295 Cb 0.79 -0.63 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 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 -1.72 2.16 -3.65 1.38 -0.00 -0.81 -2.09 117.46 112.72 1cw3 n PHE 296 Ca 0.07 0.39 -0.22 0.00 -0.00 0.00 0.00 57.45 57.68 1cw3 n PHE 296 Cb 0.37 -2.48 0.06 0.00 -0.00 0.00 0.00 39.48 37.42 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 2.62 -3.01 -2.31 -2.13 5.15 -1.26 -1.64 115.26 112.67 1cw3 n ASN 297 Ca 0.14 -0.71 -0.20 0.00 -0.60 0.00 0.00 54.58 53.21 1cw3 n ASN 297 Cb 0.30 -4.49 -0.02 0.00 -0.53 0.00 0.00 39.78 35.04 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 -4.44 -1.72 -0.87 1.20 3.00 -0.89 -0.68 117.38 112.98 1cw3 n GLN 298 Ca -0.18 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 1cw3 n GLN 298 Cb 0.63 -5.61 0.00 0.00 0.00 0.00 0.00 30.24 25.26 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 -0.92 0.49 2.45 1.08 0.00 -0.65 -3.12 105.19 104.51 1cw3 n GLY 299 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.79 4.16 -4.42 1.61 6.02 0.14 -3.32 117.38 119.79 1cw3 n GLN 300 Ca 0.00 -3.11 -0.22 0.00 -0.01 0.00 0.00 57.00 53.66 1cw3 n GLN 300 Cb 0.07 -2.58 -0.16 0.00 1.02 0.00 0.00 30.24 28.59 1cw3 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 n ALA 304 N 0.47 0.58 -1.52 0.00 0.00 -0.59 -4.78 120.51 114.67 1cw3 n ALA 304 Ca 0.17 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.64 1cw3 n ALA 304 Cb 0.73 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 1cw3 n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cw3 n GLY 305 N 3.20 3.31 0.02 0.00 0.00 0.38 -3.55 105.19 108.55 1cw3 n GLY 305 Ca 0.18 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.85 1cw3 n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cw3 n SER 306 N 7.23 0.05 -3.50 1.61 3.41 -0.86 -4.33 113.62 117.23 1cw3 n SER 306 Ca 0.50 -1.69 -0.29 0.00 -0.26 0.00 0.00 58.87 57.14 1cw3 n SER 306 Cb 0.40 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.83 -0.73 4.33 0.52 -1.10 -4.05 118.95 116.76 1cw3 s ARG 307 Ca 0.15 -1.71 -0.24 0.00 -0.52 0.00 0.00 55.73 53.42 1cw3 s ARG 307 Cb 0.07 -1.58 0.06 0.00 0.52 0.00 0.00 34.95 34.02 1cw3 s ARG 307 CO 0.12 -1.25 1.11 0.99 0.02 0.00 0.00 175.30 176.29 1cw3 s THR 308 N 0.61 4.13 -0.20 0.02 2.01 -0.27 -0.32 115.64 121.61 1cw3 s THR 308 Ca 0.22 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 1cw3 s THR 308 Cb -0.16 -4.79 -0.02 0.00 0.01 0.00 0.00 72.50 67.54 1cw3 s THR 308 CO -0.05 -1.63 0.71 -0.36 -0.69 0.00 0.00 174.62 172.61 1cw3 s PHE 309 N 4.58 3.37 -0.08 4.92 0.40 0.13 -0.30 117.98 131.01 1cw3 s PHE 309 Ca 0.29 1.03 0.05 0.00 -0.60 0.00 0.00 56.93 57.70 1cw3 s PHE 309 Cb -0.12 -2.90 -0.00 0.00 0.51 0.00 0.00 43.02 40.51 1cw3 s PHE 309 CO 0.09 -0.24 -0.23 0.08 0.70 0.00 0.00 175.22 175.62 1cw3 s VAL 310 N 2.17 1.97 0.26 -0.44 1.01 0.09 -0.09 120.40 125.37 1cw3 s VAL 310 Ca 0.32 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1cw3 s VAL 310 Cb -0.16 -1.69 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1cw3 s VAL 310 CO 0.10 0.54 1.55 -1.58 0.00 0.00 0.00 175.10 175.72 1cw3 s GLN 311 N 0.15 4.18 0.46 2.72 -0.44 -0.77 -1.80 119.66 124.15 1cw3 s GLN 311 Ca -0.12 2.46 0.26 0.00 -2.50 0.00 0.00 55.36 55.47 1cw3 s GLN 311 Cb -0.16 -3.07 1.30 0.00 -1.64 0.00 0.00 33.01 29.44 1cw3 s GLN 311 CO 0.06 -0.57 1.77 1.05 0.50 0.00 0.00 175.29 178.10 1cw3 h GLU 312 N 5.30 0.21 -0.15 1.67 4.11 -1.21 -1.27 114.58 123.23 1cw3 h GLU 312 Ca -0.46 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.92 1cw3 h GLU 312 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1cw3 h GLU 312 CO 0.82 0.14 -0.11 -0.44 0.07 0.00 0.00 179.01 179.49 1cw3 h ASP 313 N 0.22 0.22 -0.17 3.06 3.32 -1.90 -3.01 116.42 118.15 1cw3 h ASP 313 Ca 0.61 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1cw3 h ASP 313 Cb 1.90 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1cw3 h ASP 313 CO -0.20 0.35 0.00 2.30 -1.72 0.00 0.00 179.24 179.97 1cw3 n ILE 314 N -4.30 0.57 0.18 0.35 -5.35 -0.58 -4.79 119.36 105.44 1cw3 n ILE 314 Ca -0.01 -0.78 -0.16 0.00 -0.27 0.00 0.00 62.75 61.53 1cw3 n ILE 314 Cb 0.25 0.80 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 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 1.74 -1.35 -0.25 4.28 5.03 -1.16 -1.20 116.97 124.06 1cw3 h TYR 315 Ca 0.00 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.40 1cw3 h TYR 315 Cb 0.56 0.55 -0.07 0.00 1.55 0.00 0.00 36.73 39.32 1cw3 h TYR 315 CO 0.11 -0.58 -0.25 -0.44 -1.32 0.00 0.00 178.16 175.68 1cw3 h ASP 316 N -0.79 -0.80 -0.71 -2.11 3.32 -1.87 0.69 116.42 114.15 1cw3 h ASP 316 Ca -0.03 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1cw3 h ASP 316 Cb 0.74 0.38 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1cw3 h ASP 316 CO -0.17 -0.28 0.47 -0.08 -1.72 0.00 0.00 179.24 177.46 1cw3 h GLU 317 N -0.25 0.94 -0.13 3.56 4.81 -1.90 -0.55 114.58 121.07 1cw3 h GLU 317 Ca 0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1cw3 h GLU 317 Cb 0.47 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1cw3 h GLU 317 CO -0.40 0.63 0.07 0.35 -0.73 0.00 0.00 179.01 178.94 1cw3 h PHE 318 N 0.97 0.17 -0.56 0.92 3.57 -0.67 -2.12 116.94 119.23 1cw3 h PHE 318 Ca 0.26 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1cw3 h PHE 318 Cb -0.11 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1cw3 h PHE 318 CO -0.02 0.18 0.33 0.28 -2.23 0.00 0.00 178.31 176.85 1cw3 h VAL 319 N 0.12 1.04 -0.13 1.41 2.07 -0.53 -0.27 116.25 119.96 1cw3 h VAL 319 Ca 0.05 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1cw3 h VAL 319 Cb 0.06 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1cw3 h VAL 319 CO -0.01 0.12 -0.06 -0.08 0.02 0.00 0.00 177.57 177.57 1cw3 h GLU 320 N 0.65 -0.04 -0.32 1.57 4.81 -0.95 -0.16 114.58 120.15 1cw3 h GLU 320 Ca 0.23 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1cw3 h GLU 320 Cb 0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1cw3 h GLU 320 CO -0.11 -0.02 -0.27 0.00 -0.73 0.00 0.00 179.01 177.88 1cw3 h ARG 321 N -0.04 0.64 -0.32 1.92 3.08 -1.16 -2.23 114.38 116.27 1cw3 h ARG 321 Ca 0.07 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1cw3 h ARG 321 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1cw3 h ARG 321 CO -0.16 0.85 0.06 0.77 -1.07 0.00 0.00 179.97 180.42 1cw3 h SER 322 N 0.56 0.50 -0.26 7.04 0.02 -0.69 -1.00 113.55 119.72 1cw3 h SER 322 Ca 0.07 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1cw3 h SER 322 Cb 0.75 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1cw3 h SER 322 CO 0.06 0.62 0.16 0.58 -1.14 0.00 0.00 176.83 177.10 1cw3 h VAL 323 N 0.36 1.05 -0.51 2.27 2.07 -0.93 -0.37 116.25 120.19 1cw3 h VAL 323 Ca 0.10 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1cw3 h VAL 323 Cb 0.32 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1cw3 h VAL 323 CO 0.00 0.06 0.21 0.00 0.02 0.00 0.00 177.57 177.86 1cw3 h ALA 324 N 1.10 0.64 -0.58 1.67 0.00 -1.25 -0.05 119.26 120.78 1cw3 h ALA 324 Ca 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 324 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1cw3 h ALA 324 CO -0.03 -0.17 0.02 -0.09 0.00 0.00 0.00 179.25 178.97 1cw3 h ARG 325 N 0.41 1.00 -0.30 0.00 9.65 -0.81 -2.39 114.38 121.93 1cw3 h ARG 325 Ca 0.24 -0.29 -0.06 0.00 -1.10 0.00 0.00 59.98 58.77 1cw3 h ARG 325 Cb 0.22 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1cw3 h ARG 325 CO -0.22 0.97 -0.04 0.00 2.80 0.00 0.00 179.97 183.48 1cw3 h ALA 326 N 1.09 0.41 -0.43 2.80 0.00 -0.53 -2.70 119.26 119.90 1cw3 h ALA 326 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 326 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1cw3 h ALA 326 CO 0.02 0.21 0.26 0.87 0.00 0.00 0.00 179.25 180.61 1cw3 h LYS 327 N 0.34 0.58 0.00 0.00 1.57 -0.90 -2.37 116.57 115.79 1cw3 h LYS 327 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1cw3 h LYS 327 Cb 0.51 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1cw3 h LYS 327 CO 0.02 0.41 -0.21 -1.13 -0.57 0.00 0.00 179.45 177.97 1cw3 n SER 328 N -4.45 0.24 -4.60 0.86 3.41 -0.91 -4.84 113.62 103.33 1cw3 n SER 328 Ca 0.03 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.41 1cw3 n SER 328 Cb 0.08 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 -3.01 3.26 -0.10 4.33 3.52 -0.89 -4.93 118.95 121.14 1cw3 s ARG 329 Ca 0.12 1.67 -0.29 0.00 -0.13 0.00 0.00 55.73 57.10 1cw3 s ARG 329 Cb 0.18 -4.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.26 1cw3 s ARG 329 CO 0.60 -1.94 1.57 0.08 -0.81 0.00 0.00 175.30 174.80 1cw3 s VAL 330 N 7.41 3.73 -0.13 7.11 1.01 -1.26 -4.91 120.40 133.36 1cw3 s VAL 330 Ca 0.88 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 1cw3 s VAL 330 Cb -0.27 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1cw3 s VAL 330 CO 0.34 -0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 174.61 1cw3 s VAL 331 N 4.08 3.87 -1.59 2.92 1.01 -1.26 -1.09 120.40 128.34 1cw3 s VAL 331 Ca 0.69 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1cw3 s VAL 331 Cb -0.30 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1cw3 s VAL 331 CO 0.26 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1cw3 n GLY 332 N 3.11 -1.06 3.61 4.51 0.00 -0.91 -4.99 105.19 109.47 1cw3 n GLY 332 Ca -0.18 -0.88 -0.51 0.00 0.00 0.00 0.00 46.02 44.45 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 0.66 2.76 0.08 1.61 5.15 -1.26 -4.42 115.26 119.84 1cw3 n ASN 333 Ca 0.00 0.77 0.21 0.00 -0.60 0.00 0.00 54.58 54.96 1cw3 n ASN 333 Cb 0.00 -1.29 0.70 0.00 -0.53 0.00 0.00 39.78 38.66 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 10.12 0.00 0.00 1.20 0.13 -1.89 0.15 132.00 141.71 1cw3 h PRO 334 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1cw3 h PRO 334 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1cw3 h PRO 334 CO 0.98 0.00 -0.12 1.19 -0.23 0.00 0.00 178.00 179.82 1cw3 n PHE 335 N -3.53 0.16 -3.00 1.56 3.01 -1.26 -1.35 117.46 113.06 1cw3 n PHE 335 Ca 0.08 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 1cw3 n PHE 335 Cb 0.72 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 1cw3 n PHE 335 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1cw3 s ASP 336 N -3.28 6.74 0.65 4.37 -1.08 0.04 -4.92 116.67 119.19 1cw3 s ASP 336 Ca 0.13 0.92 0.27 0.00 -0.52 0.00 0.00 52.55 53.34 1cw3 s ASP 336 Cb 0.18 -2.39 1.44 0.00 -1.46 0.00 0.00 42.92 40.68 1cw3 s ASP 336 CO 0.58 -0.41 1.82 0.77 0.52 0.00 0.00 175.17 178.44 1cw3 h SER 337 N 7.67 0.00 0.74 -0.34 4.64 -1.86 0.06 113.55 124.46 1cw3 h SER 337 Ca -0.26 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1cw3 h SER 337 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1cw3 h SER 337 CO 0.82 0.00 -0.53 0.11 -0.87 0.00 0.00 176.83 176.36 1cw3 h LYS 338 N 0.00 0.00 -6.39 4.77 1.79 -1.92 -3.46 116.57 111.37 1cw3 h LYS 338 Ca 0.05 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.99 1cw3 h LYS 338 Cb 0.93 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.60 1cw3 h LYS 338 CO -0.00 0.53 1.16 0.99 -1.08 0.00 0.00 179.45 181.05 1cw3 s THR 339 N -3.56 3.00 -0.14 -0.16 2.01 0.01 -4.78 115.64 112.01 1cw3 s THR 339 Ca -0.01 0.19 0.18 0.00 0.31 0.00 0.00 61.69 62.37 1cw3 s THR 339 Cb 0.12 -3.12 -0.25 0.00 0.01 0.00 0.00 72.50 69.25 1cw3 s THR 339 CO 0.73 -0.01 0.30 -0.62 -0.69 0.00 0.00 174.62 174.33 1cw3 n GLU 340 N 6.84 0.67 -3.91 4.92 1.02 -0.25 -4.88 120.64 125.05 1cw3 n GLU 340 Ca 0.19 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.14 1cw3 n GLU 340 Cb 0.41 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.75 0.47 0.00 3.49 0.74 -0.75 -4.86 119.66 116.00 1cw3 s GLN 341 Ca -0.08 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1cw3 s GLN 341 Cb 0.08 -0.71 0.00 0.00 1.10 0.00 0.00 33.01 33.48 1cw3 s GLN 341 CO 0.84 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1cw3 n GLY 342 N 4.53 1.21 3.94 2.59 0.00 -1.26 -2.14 105.19 114.06 1cw3 n GLY 342 Ca -0.18 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 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 2.22 2.19 0.62 1.61 0.04 -1.23 -4.74 135.00 135.71 1cw3 s PRO 343 Ca 0.00 -0.36 -0.12 0.00 0.04 0.00 0.00 61.00 60.56 1cw3 s PRO 343 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1cw3 s PRO 343 CO 0.00 -1.20 1.03 -0.65 0.04 0.00 0.00 177.00 176.22 1cw3 s GLN 344 N -5.19 3.53 0.28 4.56 -1.52 0.56 -4.67 119.66 117.21 1cw3 s GLN 344 Ca 0.60 0.81 0.02 0.00 -1.95 0.00 0.00 55.36 54.84 1cw3 s GLN 344 Cb -0.10 -2.07 0.61 0.00 -0.22 0.00 0.00 33.01 31.23 1cw3 s GLN 344 CO 0.44 -0.62 1.76 -0.24 -0.25 0.00 0.00 175.29 176.38 1cw3 h VAL 345 N -0.25 0.70 -2.99 1.09 3.04 -1.90 -3.43 116.25 112.51 1cw3 h VAL 345 Ca -0.44 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 64.95 1cw3 h VAL 345 Cb 1.19 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1cw3 h VAL 345 CO 0.61 0.12 0.14 -0.90 -1.01 0.00 0.00 177.57 176.53 1cw3 n ASP 346 N -4.85 -1.67 -0.22 3.17 5.68 -1.26 -4.45 116.55 112.95 1cw3 n ASP 346 Ca 0.20 -2.34 -0.07 0.00 -0.50 0.00 0.00 54.79 52.08 1cw3 n ASP 346 Cb 0.49 2.83 0.07 0.00 -1.14 0.00 0.00 41.12 43.37 1cw3 n ASP 346 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1cw3 h GLU 347 N 0.00 1.07 -0.34 0.11 4.81 -1.98 -0.75 114.58 117.49 1cw3 h GLU 347 Ca -0.26 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1cw3 h GLU 347 Cb 0.98 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1cw3 h GLU 347 CO 0.33 0.97 0.20 1.15 -0.73 0.00 0.00 179.01 180.92 1cw3 h THR 348 N 1.01 1.13 -0.31 0.32 2.02 -1.99 -0.04 112.91 115.05 1cw3 h THR 348 Ca 0.21 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1cw3 h THR 348 Cb 0.40 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1cw3 h THR 348 CO 0.01 0.13 -0.03 -0.61 0.37 0.00 0.00 175.52 175.39 1cw3 h GLN 349 N 0.44 0.56 -0.26 6.66 5.75 -1.95 -1.18 115.11 125.13 1cw3 h GLN 349 Ca 0.12 -0.19 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1cw3 h GLN 349 Cb 0.03 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.47 1cw3 h GLN 349 CO -0.02 0.72 -0.18 0.35 -2.65 0.00 0.00 178.83 177.05 1cw3 h PHE 350 N 0.35 -0.45 -0.67 3.99 3.57 -0.90 -1.17 116.94 121.66 1cw3 h PHE 350 Ca 0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1cw3 h PHE 350 Cb 0.48 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1cw3 h PHE 350 CO 0.04 -0.25 0.14 0.87 -2.23 0.00 0.00 178.31 176.88 1cw3 h LYS 351 N -0.16 1.09 -0.65 1.11 1.57 -0.87 -2.49 116.57 116.18 1cw3 h LYS 351 Ca 0.14 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1cw3 h LYS 351 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1cw3 h LYS 351 CO -0.36 0.99 0.33 -0.22 -0.57 0.00 0.00 179.45 179.62 1cw3 h LYS 352 N 1.02 0.93 -0.24 3.15 3.64 -0.73 0.65 116.57 124.99 1cw3 h LYS 352 Ca 0.21 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1cw3 h LYS 352 Cb 0.40 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1cw3 h LYS 352 CO 0.01 0.73 0.10 0.82 -2.27 0.00 0.00 179.45 178.84 1cw3 h ILE 353 N 0.90 1.16 -0.60 2.00 2.04 -1.13 -1.05 117.51 120.84 1cw3 h ILE 353 Ca 0.23 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1cw3 h ILE 353 Cb 0.10 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1cw3 h ILE 353 CO -0.03 0.17 0.40 -0.07 0.00 0.00 0.00 178.15 178.61 1cw3 h LEU 354 N 0.25 0.60 -0.25 1.44 3.38 -1.13 -0.11 115.31 119.47 1cw3 h LEU 354 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1cw3 h LEU 354 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cw3 h LEU 354 CO -0.01 0.41 0.07 1.23 0.09 0.00 0.00 178.44 180.23 1cw3 h GLY 355 N 0.69 0.43 0.99 0.83 0.00 -0.22 -2.18 103.07 103.62 1cw3 h GLY 355 Ca 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1cw3 h GLY 355 CO -0.07 0.25 0.24 -0.97 0.00 0.00 0.00 176.54 175.99 1cw3 h TYR 356 N 0.24 0.88 -0.66 5.60 -1.99 -0.29 -1.30 116.97 119.45 1cw3 h TYR 356 Ca 0.08 -0.06 0.08 0.00 2.00 0.00 0.00 58.73 60.83 1cw3 h TYR 356 Cb 0.26 -0.27 -0.06 0.00 2.00 0.00 0.00 36.73 38.66 1cw3 h TYR 356 CO 0.01 0.70 0.33 0.82 -0.00 0.00 0.00 178.16 180.02 1cw3 h ILE 357 N 0.80 0.88 -0.59 -2.88 2.04 -0.96 0.32 117.51 117.12 1cw3 h ILE 357 Ca 0.20 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1cw3 h ILE 357 Cb 0.19 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1cw3 h ILE 357 CO -0.02 0.11 0.12 -1.13 0.00 0.00 0.00 178.15 177.23 1cw3 h ASN 358 N 0.59 0.88 -0.50 1.72 -1.24 -0.99 -2.14 115.58 113.91 1cw3 h ASN 358 Ca 0.32 -0.18 -0.10 0.00 0.71 0.00 0.00 56.30 57.05 1cw3 h ASN 358 Cb 0.29 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1cw3 h ASN 358 CO -0.24 0.87 -0.07 0.74 -1.29 0.00 0.00 177.43 177.45 1cw3 h THR 359 N 0.89 1.26 -0.64 -3.57 2.02 0.02 -1.38 112.91 111.52 1cw3 h THR 359 Ca 0.19 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1cw3 h THR 359 Cb 0.35 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1cw3 h THR 359 CO 0.00 0.42 0.41 1.23 0.37 0.00 0.00 175.52 177.96 1cw3 h GLY 360 N 0.97 0.90 0.81 2.16 0.00 0.15 -0.95 103.07 107.11 1cw3 h GLY 360 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1cw3 h GLY 360 CO 0.04 0.30 0.01 0.50 0.00 0.00 0.00 176.54 177.40 1cw3 h LYS 361 N 0.84 0.28 -0.94 4.80 1.57 -1.23 -2.01 116.57 119.88 1cw3 h LYS 361 Ca 0.24 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1cw3 h LYS 361 Cb -0.06 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 1cw3 h LYS 361 CO -0.07 0.48 0.61 1.96 -0.57 0.00 0.00 179.45 181.86 1cw3 h GLN 362 N 0.05 0.99 0.00 3.15 1.08 -0.96 -2.23 115.11 117.19 1cw3 h GLN 362 Ca 0.05 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1cw3 h GLN 362 Cb 0.34 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1cw3 h GLN 362 CO 0.01 0.66 0.00 0.39 -0.95 0.00 0.00 178.83 178.93 1cw3 n GLU 363 N -4.52 0.26 -0.20 1.46 1.02 -0.39 -4.90 120.64 113.39 1cw3 n GLU 363 Ca 0.15 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1cw3 n GLU 363 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.92 0.88 3.73 0.62 0.00 -0.84 -5.05 105.19 105.45 1cw3 n GLY 364 Ca 0.10 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 3.24 -0.62 4.61 0.00 -0.76 -4.98 121.76 121.26 1cw3 s ALA 365 Ca 0.00 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 1cw3 s ALA 365 Cb 0.00 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1cw3 s ALA 365 CO 0.00 -0.07 1.65 0.21 0.00 0.00 0.00 175.76 177.55 1cw3 s LYS 366 N 0.31 2.91 -0.23 0.00 2.20 -0.78 -4.52 119.74 119.62 1cw3 s LYS 366 Ca 0.47 0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1cw3 s LYS 366 Cb -0.22 -4.29 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 1cw3 s LYS 366 CO 0.28 -2.42 1.73 -1.17 -0.36 0.00 0.00 175.35 173.41 1cw3 s LEU 367 N 7.69 3.79 -0.02 5.43 2.96 -1.26 -0.38 118.68 136.88 1cw3 s LEU 367 Ca 0.58 1.62 0.17 0.00 -0.22 0.00 0.00 54.13 56.28 1cw3 s LEU 367 Cb -0.12 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.85 1cw3 s LEU 367 CO 0.21 -1.41 0.60 0.18 -1.32 0.00 0.00 176.35 174.61 1cw3 n LEU 368 N 9.08 0.60 -3.65 -0.68 4.77 0.41 -4.96 117.00 122.57 1cw3 n LEU 368 Ca 0.21 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1cw3 n LEU 368 Cb 0.45 0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1cw3 n LEU 368 CO 0.66 0.25 0.83 0.00 -1.33 0.00 0.00 177.39 177.80 1cw3 n GLY 370 N -0.38 2.41 0.00 0.00 0.00 -1.24 -2.76 105.19 103.22 1cw3 n GLY 370 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.75 0.75 -0.02 0.00 -1.26 -4.96 105.19 100.45 1cw3 n GLY 371 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.73 3.14 3.77 -0.02 0.00 -1.26 -4.95 105.19 104.14 1cw3 n GLY 372 Ca 0.00 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.46 3.20 -1.13 -0.61 1.01 -1.26 -1.05 121.20 118.89 1cw3 s ILE 373 Ca 0.07 1.06 0.19 0.00 0.00 0.00 0.00 60.65 61.97 1cw3 s ILE 373 Cb -0.00 -3.62 -0.15 0.00 0.01 0.00 0.00 42.46 38.70 1cw3 s ILE 373 CO 0.05 0.14 0.85 0.00 0.00 0.00 0.00 174.94 175.98 1cw3 n ALA 374 N 0.36 4.17 -3.54 9.38 0.00 -0.15 -4.65 120.51 126.06 1cw3 n ALA 374 Ca 0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1cw3 n ALA 374 Cb 0.46 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1cw3 n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cw3 s ALA 375 N -2.63 -1.77 -1.78 0.00 0.00 -1.25 -4.99 121.76 109.34 1cw3 s ALA 375 Ca 0.10 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.56 1cw3 s ALA 375 Cb 0.15 -0.26 0.12 0.00 0.00 0.00 0.00 23.12 23.13 1cw3 s ALA 375 CO 0.70 -0.36 1.02 -0.40 0.00 0.00 0.00 175.76 176.71 1cw3 n ASP 376 N 1.28 0.89 -3.76 0.00 3.85 -1.26 -4.72 116.55 112.83 1cw3 n ASP 376 Ca -0.18 -2.03 -0.12 0.00 -0.71 0.00 0.00 54.79 51.75 1cw3 n ASP 376 Cb 0.57 -0.17 -0.12 0.00 -1.35 0.00 0.00 41.12 40.05 1cw3 n ASP 376 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1cw3 s ARG 377 N -1.73 0.28 0.03 0.11 3.52 -1.26 -5.11 118.95 114.78 1cw3 s ARG 377 Ca 0.09 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1cw3 s ARG 377 Cb 0.05 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1cw3 s ARG 377 CO 0.05 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1cw3 n GLY 378 N 3.45 -2.80 2.76 8.12 0.00 -1.24 -4.59 105.19 110.89 1cw3 n GLY 378 Ca -0.18 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.71 3.14 -3.18 1.61 4.02 -0.51 -4.94 117.16 116.60 1cw3 n TYR 379 Ca 0.00 -2.79 -0.39 0.00 -0.01 0.00 0.00 57.90 54.71 1cw3 n TYR 379 Cb 0.00 -0.92 -0.06 0.00 -0.02 0.00 0.00 39.34 38.34 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 -4.00 3.48 0.03 -0.72 0.40 -1.26 -0.32 117.98 115.57 1cw3 s PHE 380 Ca 0.46 0.98 0.08 0.00 -0.60 0.00 0.00 56.93 57.86 1cw3 s PHE 380 Cb 0.32 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 1cw3 s PHE 380 CO -0.24 0.02 -0.25 0.42 0.70 0.00 0.00 175.22 175.88 1cw3 s ILE 381 N 1.14 1.98 0.33 0.64 1.01 -1.26 -0.98 121.20 124.06 1cw3 s ILE 381 Ca 0.30 -1.25 -0.28 0.00 0.00 0.00 0.00 60.65 59.42 1cw3 s ILE 381 Cb -0.16 -1.68 -0.10 0.00 0.01 0.00 0.00 42.46 40.53 1cw3 s ILE 381 CO 0.12 0.39 1.21 -1.10 0.00 0.00 0.00 174.94 175.57 1cw3 s GLN 382 N -1.02 4.39 -0.15 2.79 -0.21 -0.21 -4.70 119.66 120.54 1cw3 s GLN 382 Ca 0.10 2.02 -0.29 0.00 0.02 0.00 0.00 55.36 57.21 1cw3 s GLN 382 Cb -0.10 -3.04 -0.06 0.00 1.00 0.00 0.00 33.01 30.82 1cw3 s GLN 382 CO 0.01 -0.08 2.06 -2.14 -2.12 0.00 0.00 175.29 173.02 1cw3 s PRO 383 N -1.77 3.50 -0.05 2.91 0.02 -1.26 -4.30 135.00 134.05 1cw3 s PRO 383 Ca 0.49 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.63 1cw3 s PRO 383 Cb -0.36 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 29.86 1cw3 s PRO 383 CO 0.47 -1.67 0.04 0.99 -0.33 0.00 0.00 177.00 176.49 1cw3 s THR 384 N 6.79 4.57 -0.05 0.99 2.01 0.14 -3.67 115.64 126.42 1cw3 s THR 384 Ca 0.93 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1cw3 s THR 384 Cb -0.34 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1cw3 s THR 384 CO 0.36 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.05 1cw3 s VAL 385 N -1.03 0.55 -0.08 3.82 1.01 -1.11 -0.79 120.40 122.76 1cw3 s VAL 385 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1cw3 s VAL 385 Cb -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1cw3 s VAL 385 CO 0.07 0.24 -0.12 -0.36 0.00 0.00 0.00 175.10 174.93 1cw3 s PHE 386 N 1.05 2.79 0.36 5.22 0.40 0.70 -0.45 117.98 128.06 1cw3 s PHE 386 Ca -0.09 -0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.05 1cw3 s PHE 386 Cb -0.14 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 1cw3 s PHE 386 CO -0.01 0.08 0.05 0.20 0.70 0.00 0.00 175.22 176.25 1cw3 s GLY 387 N -0.37 2.13 -1.44 4.36 0.00 0.48 -1.84 107.32 110.65 1cw3 s GLY 387 Ca 0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 44.72 42.72 1cw3 s GLY 387 CO 0.02 -1.91 0.37 1.22 0.00 0.00 0.00 173.10 172.80 1cw3 n ASP 388 N -1.01 -5.12 -4.77 1.64 8.00 -1.01 -1.86 116.55 112.41 1cw3 n ASP 388 Ca -0.04 -0.18 -0.38 0.00 0.71 0.00 0.00 54.79 54.90 1cw3 n ASP 388 Cb 0.63 -4.21 -0.02 0.00 -0.02 0.00 0.00 41.12 37.50 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 -3.00 3.21 0.18 2.53 1.01 -1.06 -4.73 120.40 118.55 1cw3 s VAL 389 Ca 0.22 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1cw3 s VAL 389 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1cw3 s VAL 389 CO 0.27 0.09 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 1cw3 s GLN 390 N -2.29 2.51 0.25 2.72 -1.52 -1.26 -4.57 119.66 115.50 1cw3 s GLN 390 Ca 0.57 -1.09 -0.04 0.00 -1.95 0.00 0.00 55.36 52.85 1cw3 s GLN 390 Cb -0.30 -2.40 0.40 0.00 -0.22 0.00 0.00 33.01 30.49 1cw3 s GLN 390 CO 0.38 0.45 1.83 -0.44 -0.25 0.00 0.00 175.29 177.25 1cw3 h ASP 391 N 2.51 0.77 0.67 5.90 3.32 -1.96 -2.60 116.42 125.02 1cw3 h ASP 391 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1cw3 h ASP 391 Cb 1.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1cw3 h ASP 391 CO 0.59 0.45 0.00 1.23 -1.72 0.00 0.00 179.24 179.79 1cw3 h GLY 392 N 0.88 0.00 -2.77 2.75 0.00 -1.96 -3.41 103.07 98.56 1cw3 h GLY 392 Ca 0.41 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.20 1cw3 h GLY 392 CO -0.23 0.00 0.57 1.06 0.00 0.00 0.00 176.54 177.95 1cw3 s MET 393 N -3.65 3.33 0.21 4.80 -1.94 -0.98 -4.93 119.30 116.14 1cw3 s MET 393 Ca 0.01 2.10 -0.10 0.00 -1.71 0.00 0.00 55.69 55.98 1cw3 s MET 393 Cb 0.09 -2.31 0.16 0.00 2.01 0.00 0.00 34.83 34.79 1cw3 s MET 393 CO 0.45 -1.00 1.87 1.15 -0.01 0.00 0.00 175.02 177.48 1cw3 h THR 394 N 1.58 1.20 0.00 2.05 2.02 -1.89 -1.62 112.91 116.26 1cw3 h THR 394 Ca -0.50 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1cw3 h THR 394 Cb 1.28 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1cw3 h THR 394 CO 0.58 0.20 0.00 2.30 0.37 0.00 0.00 175.52 178.97 1cw3 n ILE 395 N -4.53 0.86 0.81 3.11 -5.35 -1.26 -0.93 119.36 112.07 1cw3 n ILE 395 Ca 0.07 0.22 0.09 0.00 -0.27 0.00 0.00 62.75 62.86 1cw3 n ILE 395 Cb 0.03 -0.96 0.04 0.00 -1.74 0.00 0.00 39.64 37.01 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 -1.45 2.90 0.00 -1.28 0.00 -0.63 -4.61 120.51 115.44 1cw3 n ALA 396 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1cw3 n ALA 396 Cb 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.48 2.22 -3.83 0.00 5.02 -0.83 -4.96 118.16 116.26 1cw3 n LYS 397 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 1cw3 n LYS 397 Cb 0.43 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.87 3.51 -0.37 1.97 2.02 -0.11 -4.91 118.70 118.94 1cw3 s GLU 398 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.58 1cw3 s GLU 398 Cb 0.00 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1cw3 s GLU 398 CO 0.00 0.72 1.63 -2.00 0.02 0.00 0.00 175.26 175.63 1cw3 s GLU 399 N -1.43 3.42 0.10 1.61 2.12 -1.26 -4.80 118.70 118.46 1cw3 s GLU 399 Ca 0.22 1.20 -0.05 0.00 0.36 0.00 0.00 54.97 56.70 1cw3 s GLU 399 Cb -0.13 -4.13 -0.21 0.00 0.26 0.00 0.00 34.13 29.93 1cw3 s GLU 399 CO 0.11 -1.75 1.20 0.82 -0.54 0.00 0.00 175.26 175.10 1cw3 h ILE 400 N 6.66 1.45 -6.17 -3.70 2.04 -1.92 -3.48 117.51 112.39 1cw3 h ILE 400 Ca -0.31 -2.80 -0.45 0.00 1.00 0.00 0.00 64.86 62.30 1cw3 h ILE 400 Cb 1.14 2.74 0.01 0.00 -0.74 0.00 0.00 36.82 39.98 1cw3 h ILE 400 CO 1.06 0.82 -0.74 0.33 0.00 0.00 0.00 178.15 179.63 1cw3 n PHE 401 N -3.63 -2.47 -3.97 1.37 7.35 -1.26 -4.67 117.46 110.19 1cw3 n PHE 401 Ca -0.08 0.94 -0.13 0.00 -0.76 0.00 0.00 57.45 57.42 1cw3 n PHE 401 Cb 0.95 -4.29 -0.02 0.00 0.35 0.00 0.00 39.48 36.47 1cw3 n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cw3 n GLY 402 N -1.78 1.90 2.42 7.13 0.00 -1.21 -4.18 105.19 109.47 1cw3 n GLY 402 Ca 0.03 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1cw3 n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cw3 n PRO 403 N -0.54 3.16 -3.95 1.61 -0.04 -1.18 -4.33 135.00 129.73 1cw3 n PRO 403 Ca -0.01 -1.97 -0.30 0.00 -0.04 0.00 0.00 63.50 61.17 1cw3 n PRO 403 Cb 0.56 -2.70 -0.16 0.00 -0.04 0.00 0.00 33.50 31.16 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 2.61 1.52 -0.17 0.52 1.01 -1.26 -0.68 120.40 123.95 1cw3 s VAL 404 Ca 0.60 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1cw3 s VAL 404 Cb 0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1cw3 s VAL 404 CO -0.05 0.04 0.27 -0.32 0.00 0.00 0.00 175.10 175.03 1cw3 s MET 405 N 1.43 4.24 -0.22 2.72 1.75 0.03 -4.97 119.30 124.27 1cw3 s MET 405 Ca -0.03 0.04 -0.07 0.00 -1.25 0.00 0.00 55.69 54.38 1cw3 s MET 405 Cb -0.17 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 34.04 1cw3 s MET 405 CO -0.07 0.25 0.06 -0.65 -0.65 0.00 0.00 175.02 173.96 1cw3 s GLN 406 N 0.43 3.75 -0.27 4.11 1.11 -1.26 -0.21 119.66 127.32 1cw3 s GLN 406 Ca 0.15 -0.44 0.01 0.00 0.01 0.00 0.00 55.36 55.08 1cw3 s GLN 406 Cb -0.13 -3.26 0.05 0.00 -1.01 0.00 0.00 33.01 28.66 1cw3 s GLN 406 CO 0.03 -0.03 -0.07 0.42 0.01 0.00 0.00 175.29 175.65 1cw3 s ILE 407 N 1.17 2.54 0.18 1.08 1.01 -0.76 -1.11 121.20 125.30 1cw3 s ILE 407 Ca 0.04 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.32 1cw3 s ILE 407 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1cw3 s ILE 407 CO 0.03 0.01 0.12 -0.76 0.00 0.00 0.00 174.94 174.34 1cw3 s LEU 408 N 1.19 3.73 -0.05 2.97 1.02 0.59 -2.40 118.68 125.73 1cw3 s LEU 408 Ca -0.06 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.94 1cw3 s LEU 408 Cb -0.19 -2.33 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1cw3 s LEU 408 CO -0.04 0.06 -0.13 -0.75 0.02 0.00 0.00 176.35 175.51 1cw3 s LYS 409 N -3.16 2.57 0.16 1.70 2.20 -1.26 -0.73 119.74 121.21 1cw3 s LYS 409 Ca 0.31 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 1cw3 s LYS 409 Cb -0.10 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1cw3 s LYS 409 CO 0.23 0.62 0.10 -0.59 -0.36 0.00 0.00 175.35 175.35 1cw3 s PHE 410 N -0.71 0.92 -0.01 4.03 -0.12 -0.75 -4.89 117.98 116.45 1cw3 s PHE 410 Ca 0.11 -1.24 -0.05 0.00 -0.05 0.00 0.00 56.93 55.70 1cw3 s PHE 410 Cb -0.11 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1cw3 s PHE 410 CO 0.01 -0.58 -0.09 1.17 -0.05 0.00 0.00 175.22 175.68 1cw3 n LYS 411 N -0.16 0.14 -3.21 1.99 4.81 -1.26 -0.67 118.16 119.80 1cw3 n LYS 411 Ca -0.03 0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.26 1cw3 n LYS 411 Cb 0.64 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -1.90 3.92 0.14 3.15 -4.23 -1.26 -4.82 115.64 110.64 1cw3 s THR 412 Ca -0.08 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1cw3 s THR 412 Cb 0.01 -3.40 -0.16 0.00 1.34 0.00 0.00 72.50 70.30 1cw3 s THR 412 CO 0.11 -0.21 1.35 -0.29 -0.54 0.00 0.00 174.62 175.04 1cw3 h ILE 413 N 0.64 1.39 -0.17 2.99 2.10 -1.99 -2.52 117.51 119.94 1cw3 h ILE 413 Ca -0.45 -2.33 -0.00 0.00 1.08 0.00 0.00 64.86 63.15 1cw3 h ILE 413 Cb 1.26 2.30 -0.01 0.00 -1.09 0.00 0.00 36.82 39.28 1cw3 h ILE 413 CO 0.54 0.70 0.11 -0.33 -1.08 0.00 0.00 178.15 178.09 1cw3 h GLU 414 N 0.26 0.24 -0.09 2.19 3.07 -2.00 -2.36 114.58 115.89 1cw3 h GLU 414 Ca -0.06 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1cw3 h GLU 414 Cb 1.48 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.30 1cw3 h GLU 414 CO 0.15 0.20 -0.12 1.49 -1.40 0.00 0.00 179.01 179.33 1cw3 h GLU 415 N 0.21 -0.16 0.00 2.33 4.81 -1.96 -2.66 114.58 117.15 1cw3 h GLU 415 Ca 0.06 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1cw3 h GLU 415 Cb 0.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1cw3 h GLU 415 CO -0.01 -0.11 -0.20 -0.24 -0.73 0.00 0.00 179.01 177.72 1cw3 h VAL 416 N -0.16 1.05 -0.17 0.32 3.04 -1.31 -2.14 116.25 116.88 1cw3 h VAL 416 Ca 0.07 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 1cw3 h VAL 416 Cb 0.27 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 1cw3 h VAL 416 CO -0.19 0.20 0.04 0.58 -1.01 0.00 0.00 177.57 177.19 1cw3 h VAL 417 N 0.00 1.21 -0.56 1.51 2.07 -1.09 0.09 116.25 119.49 1cw3 h VAL 417 Ca -0.00 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1cw3 h VAL 417 Cb 0.38 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1cw3 h VAL 417 CO 0.03 0.20 0.09 1.23 0.02 0.00 0.00 177.57 179.14 1cw3 h GLY 418 N 0.07 0.99 1.11 2.17 0.00 -1.23 -1.63 103.07 104.56 1cw3 h GLY 418 Ca 0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.58 1cw3 h GLY 418 CO 0.00 0.61 -0.33 3.21 0.00 0.00 0.00 176.54 180.03 1cw3 h ARG 419 N 0.81 0.95 -0.26 4.80 3.08 -1.34 -0.62 114.38 121.80 1cw3 h ARG 419 Ca 0.17 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1cw3 h ARG 419 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1cw3 h ARG 419 CO 0.01 1.13 -0.22 0.00 -1.07 0.00 0.00 179.97 179.82 1cw3 h ALA 420 N 0.80 1.14 0.00 0.04 0.00 -0.92 -2.90 119.26 117.42 1cw3 h ALA 420 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cw3 h ALA 420 Cb 0.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1cw3 h ALA 420 CO 0.09 0.54 -0.36 0.09 0.00 0.00 0.00 179.25 179.61 1cw3 n ASN 421 N -4.14 0.75 -3.94 0.00 3.02 -0.62 -4.45 115.26 105.89 1cw3 n ASN 421 Ca -0.00 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 1cw3 n ASN 421 Cb 0.38 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.18 4.30 -3.65 6.41 5.15 -0.25 -4.81 115.26 120.23 1cw3 n ASN 422 Ca 0.04 -2.90 -0.14 0.00 -0.60 0.00 0.00 54.58 50.98 1cw3 n ASN 422 Cb 0.44 -1.65 -0.07 0.00 -0.53 0.00 0.00 39.78 37.97 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 3.04 -0.34 0.00 1.20 0.15 -1.26 -4.99 113.70 111.49 1cw3 s SER 423 Ca 0.47 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.55 1cw3 s SER 423 Cb 0.11 0.42 0.84 0.00 -1.71 0.00 0.00 66.02 65.68 1cw3 s SER 423 CO -0.04 -0.61 1.64 0.35 1.20 0.00 0.00 173.24 175.78 1cw3 n THR 424 N 0.74 0.00 -2.81 6.45 -2.24 -1.26 -4.84 114.28 110.32 1cw3 n THR 424 Ca -0.19 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 1cw3 n THR 424 Cb 0.58 -0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.91 2.23 0.00 4.78 1.51 -1.26 -1.44 117.35 120.27 1cw3 s TYR 425 Ca 0.15 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1cw3 s TYR 425 Cb 0.18 -2.59 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1cw3 s TYR 425 CO 0.61 -1.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.45 1cw3 n GLY 426 N -2.30 0.00 0.13 0.71 0.00 -1.23 -4.82 105.19 97.67 1cw3 n GLY 426 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.46 -8.45 0.99 5.85 -1.83 -0.11 115.31 112.22 1cw3 h LEU 427 Ca 0.00 -0.81 -0.20 0.00 0.84 0.00 0.00 57.88 57.71 1cw3 h LEU 427 Cb 0.00 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.79 1cw3 h LEU 427 CO 0.00 1.21 -0.25 0.00 -0.34 0.00 0.00 178.44 179.07 1cw3 s ALA 428 N -3.01 0.52 0.02 1.25 0.00 -1.26 -2.55 121.76 116.74 1cw3 s ALA 428 Ca -0.14 -1.35 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1cw3 s ALA 428 Cb 0.02 1.17 0.10 0.00 0.00 0.00 0.00 23.12 24.41 1cw3 s ALA 428 CO 0.81 -0.78 0.93 0.00 0.00 0.00 0.00 175.76 176.72 1cw3 s ALA 429 N -3.57 -1.81 -0.02 0.00 0.00 0.50 -4.19 121.76 112.68 1cw3 s ALA 429 Ca 0.29 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1cw3 s ALA 429 Cb 0.01 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1cw3 s ALA 429 CO 0.15 -0.78 0.29 0.00 0.00 0.00 0.00 175.76 175.43 1cw3 s ALA 430 N -3.11 -0.74 -0.06 0.00 0.00 -0.76 -0.95 121.76 116.13 1cw3 s ALA 430 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1cw3 s ALA 430 Cb -0.01 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1cw3 s ALA 430 CO -0.06 -0.25 -0.05 0.08 0.00 0.00 0.00 175.76 175.48 1cw3 s VAL 431 N -1.29 0.67 -0.30 0.00 1.01 0.85 -0.75 120.40 120.59 1cw3 s VAL 431 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1cw3 s VAL 431 Cb -0.05 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.68 1cw3 s VAL 431 CO 0.04 0.28 -0.01 -0.36 0.00 0.00 0.00 175.10 175.04 1cw3 s PHE 432 N 1.24 3.33 0.17 5.22 0.40 0.17 -0.09 117.98 128.41 1cw3 s PHE 432 Ca -0.06 -2.15 -0.23 0.00 -0.60 0.00 0.00 56.93 53.90 1cw3 s PHE 432 Cb -0.14 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.24 1cw3 s PHE 432 CO -0.02 -0.85 0.67 -0.08 0.70 0.00 0.00 175.22 175.64 1cw3 s THR 433 N 1.17 0.00 -0.65 0.64 -1.32 -1.26 -1.32 115.64 112.90 1cw3 s THR 433 Ca -0.04 -0.27 0.15 0.00 -1.21 0.00 0.00 61.69 60.32 1cw3 s THR 433 Cb -0.20 -1.28 -0.17 0.00 -1.51 0.00 0.00 72.50 69.34 1cw3 s THR 433 CO -0.03 0.00 0.61 0.29 -2.21 0.00 0.00 174.62 173.28 1cw3 n LYS 434 N -0.39 1.92 -2.81 7.08 5.02 -1.20 -4.85 118.16 122.93 1cw3 n LYS 434 Ca -0.13 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 1cw3 n LYS 434 Cb 0.63 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.53 7.10 0.09 4.39 3.68 -1.26 -4.98 116.67 123.17 1cw3 s ASP 435 Ca 0.05 1.35 -0.24 0.00 2.13 0.00 0.00 52.55 55.84 1cw3 s ASP 435 Cb 0.11 -2.50 -0.13 0.00 -1.45 0.00 0.00 42.92 38.95 1cw3 s ASP 435 CO 0.62 -0.38 1.71 0.25 0.13 0.00 0.00 175.17 177.49 1cw3 h LEU 436 N 7.96 -0.19 -1.03 -1.34 5.85 -2.00 -1.92 115.31 122.64 1cw3 h LEU 436 Ca -0.32 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1cw3 h LEU 436 Cb 1.15 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1cw3 h LEU 436 CO 0.83 -0.12 0.65 0.44 -0.34 0.00 0.00 178.44 179.90 1cw3 h ASP 437 N -0.17 1.09 -0.29 1.25 3.45 -1.99 -1.86 116.42 117.90 1cw3 h ASP 437 Ca 0.00 -0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.28 1cw3 h ASP 437 Cb 0.16 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1cw3 h ASP 437 CO -0.01 0.75 -0.45 0.11 -1.57 0.00 0.00 179.24 178.07 1cw3 h LYS 438 N 1.27 0.85 0.19 3.56 1.57 -1.95 -0.14 116.57 121.92 1cw3 h LYS 438 Ca 0.39 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1cw3 h LYS 438 Cb -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1cw3 h LYS 438 CO -0.11 1.12 -0.13 0.00 -0.57 0.00 0.00 179.45 179.76 1cw3 h ALA 439 N 0.80 -0.31 -0.56 3.86 0.00 -0.95 -1.31 119.26 120.79 1cw3 h ALA 439 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 439 Cb 1.04 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1cw3 h ALA 439 CO 0.10 -0.68 0.00 -0.91 0.00 0.00 0.00 179.25 177.76 1cw3 h ASN 440 N -0.33 0.94 -0.11 0.00 2.35 -1.33 0.78 115.58 117.88 1cw3 h ASN 440 Ca -0.01 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1cw3 h ASN 440 Cb 0.28 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1cw3 h ASN 440 CO 0.01 0.99 0.06 0.22 -1.65 0.00 0.00 177.43 177.06 1cw3 h TYR 441 N 0.89 0.15 -0.06 1.19 3.20 -0.87 -2.61 116.97 118.86 1cw3 h TYR 441 Ca 0.16 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 1cw3 h TYR 441 Cb 0.52 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.75 1cw3 h TYR 441 CO 0.03 0.16 -0.67 -0.07 -1.64 0.00 0.00 178.16 175.98 1cw3 h LEU 442 N 0.09 0.69 -2.41 2.82 3.38 -1.19 -1.94 115.31 116.75 1cw3 h LEU 442 Ca 0.04 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1cw3 h LEU 442 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1cw3 h LEU 442 CO -0.01 1.28 -0.03 0.77 0.09 0.00 0.00 178.44 180.55 1cw3 h SER 443 N 0.16 0.00 0.18 -0.43 4.64 -0.86 -0.70 113.55 116.54 1cw3 h SER 443 Ca -0.07 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 1cw3 h SER 443 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1cw3 h SER 443 CO 0.13 0.03 -1.94 -0.61 -0.87 0.00 0.00 176.83 173.57 1cw3 h GLN 444 N 0.00 0.25 -0.25 4.77 4.15 -1.47 -3.39 115.11 119.17 1cw3 h GLN 444 Ca -0.00 -0.43 -0.15 0.00 0.77 0.00 0.00 58.65 58.85 1cw3 h GLN 444 Cb 0.08 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1cw3 h GLN 444 CO 0.00 1.15 -0.44 0.00 -1.93 0.00 0.00 178.83 177.61 1cw3 h ALA 445 N 0.18 0.76 -2.43 3.38 0.00 -0.84 -3.45 119.26 116.86 1cw3 h ALA 445 Ca -0.40 -0.46 -0.54 0.00 0.00 0.00 0.00 54.91 53.51 1cw3 h ALA 445 Cb 2.04 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.74 1cw3 h ALA 445 CO 0.10 0.66 0.98 -0.51 0.00 0.00 0.00 179.25 180.48 1cw3 s LEU 446 N -8.54 4.36 -1.44 0.00 1.43 -0.32 -4.92 118.68 109.26 1cw3 s LEU 446 Ca -0.08 2.42 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1cw3 s LEU 446 Cb 0.12 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.82 1cw3 s LEU 446 CO 0.84 -0.86 2.42 0.00 0.23 0.00 0.00 176.35 178.98 1cw3 n GLN 447 N 5.63 3.73 -4.18 1.70 6.02 -1.26 -4.92 117.38 124.10 1cw3 n GLN 447 Ca 0.15 -2.90 -0.17 0.00 -0.01 0.00 0.00 57.00 54.08 1cw3 n GLN 447 Cb 0.41 -2.89 -0.11 0.00 1.02 0.00 0.00 30.24 28.66 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 1.16 1.18 0.36 -1.58 0.00 -1.26 -4.58 121.76 117.04 1cw3 s ALA 448 Ca 0.54 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1cw3 s ALA 448 Cb 0.15 -0.06 0.67 0.00 0.00 0.00 0.00 23.12 23.89 1cw3 s ALA 448 CO -0.06 0.10 1.96 0.78 0.00 0.00 0.00 175.76 178.54 1cw3 h GLY 449 N 4.00 0.68 -6.64 0.00 0.00 -0.97 -3.42 103.07 96.72 1cw3 h GLY 449 Ca -0.40 -0.31 -0.33 0.00 0.00 0.00 0.00 47.33 46.29 1cw3 h GLY 449 CO 0.45 0.30 -0.74 -1.59 0.00 0.00 0.00 176.54 174.96 1cw3 s THR 450 N -5.34 0.01 -0.23 4.70 2.01 -1.08 -4.75 115.64 110.96 1cw3 s THR 450 Ca -0.09 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1cw3 s THR 450 Cb 0.17 -0.16 0.05 0.00 0.01 0.00 0.00 72.50 72.57 1cw3 s THR 450 CO 0.76 0.12 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.02 1cw3 s VAL 451 N 1.28 1.89 0.00 3.82 1.01 -1.26 -0.37 120.40 126.78 1cw3 s VAL 451 Ca -0.06 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 1cw3 s VAL 451 Cb -0.13 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 1cw3 s VAL 451 CO -0.03 0.07 0.43 0.26 0.00 0.00 0.00 175.10 175.83 1cw3 s TRP 452 N 1.26 3.72 -0.22 5.22 0.51 -0.13 -4.95 118.94 124.36 1cw3 s TRP 452 Ca -0.05 1.02 0.01 0.00 -2.12 0.00 0.00 56.10 54.96 1cw3 s TRP 452 Cb -0.18 -2.33 0.03 0.00 -0.81 0.00 0.00 33.47 30.18 1cw3 s TRP 452 CO -0.07 0.60 -0.14 0.08 -0.51 0.00 0.00 176.95 176.92 1cw3 s VAL 453 N -0.96 2.35 -1.50 4.03 1.01 -1.26 -0.10 120.40 123.96 1cw3 s VAL 453 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1cw3 s VAL 453 Cb -0.17 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1cw3 s VAL 453 CO 0.14 0.33 0.00 0.59 0.00 0.00 0.00 175.10 176.15 1cw3 n ASN 454 N 4.60 -5.03 -3.62 3.32 3.02 0.86 -4.95 115.26 113.46 1cw3 n ASN 454 Ca -0.18 0.04 -0.05 0.00 -0.03 0.00 0.00 54.58 54.36 1cw3 n ASN 454 Cb 0.48 -4.12 -0.01 0.00 -0.61 0.00 0.00 39.78 35.52 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 -3.14 -0.40 -1.45 0.00 5.04 -1.26 -4.68 117.35 111.45 1cw3 s TYR 456 Ca 0.14 0.61 -0.09 0.00 -2.44 0.00 0.00 57.07 55.28 1cw3 s TYR 456 Cb -0.03 0.26 0.05 0.00 0.35 0.00 0.00 41.96 42.59 1cw3 s TYR 456 CO 0.05 -0.53 0.76 -0.25 -1.34 0.00 0.00 175.55 174.24 1cw3 n ASP 457 N 0.92 -5.09 -4.43 4.32 9.92 -1.26 -4.92 116.55 116.00 1cw3 n ASP 457 Ca -0.20 -0.49 -0.44 0.00 -0.53 0.00 0.00 54.79 53.13 1cw3 n ASP 457 Cb 0.57 -4.10 -0.04 0.00 -0.64 0.00 0.00 41.12 36.91 1cw3 n ASP 457 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1cw3 s VAL 458 N -3.16 4.52 -0.13 2.53 1.01 -1.26 -5.02 120.40 118.90 1cw3 s VAL 458 Ca 0.48 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1cw3 s VAL 458 Cb -0.23 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1cw3 s VAL 458 CO 0.59 -1.39 0.14 -0.36 0.00 0.00 0.00 175.10 174.07 1cw3 s PHE 459 N 3.47 3.59 -0.05 5.22 0.40 -1.26 -5.08 117.98 124.26 1cw3 s PHE 459 Ca 0.22 0.52 -0.00 0.00 -0.60 0.00 0.00 56.93 57.06 1cw3 s PHE 459 Cb -0.16 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.44 1cw3 s PHE 459 CO 0.05 0.71 -0.00 0.20 0.70 0.00 0.00 175.22 176.88 1cw3 s GLY 460 N -0.93 0.35 0.65 4.36 0.00 -1.26 -4.99 107.32 105.50 1cw3 s GLY 460 Ca 0.15 0.03 0.30 0.00 0.00 0.00 0.00 44.72 45.20 1cw3 s GLY 460 CO 0.04 0.79 1.93 0.00 0.00 0.00 0.00 173.10 175.85 1cw3 h ALA 461 N 7.65 1.50 0.00 3.20 0.00 -1.95 0.90 119.26 130.56 1cw3 h ALA 461 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1cw3 h ALA 461 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cw3 h ALA 461 CO 0.38 -0.40 -0.86 0.00 0.00 0.00 0.00 179.25 178.38 1cw3 n GLN 462 N -3.08 0.38 -4.01 0.00 0.00 -1.26 0.31 117.38 109.73 1cw3 n GLN 462 Ca -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 57.00 56.72 1cw3 n GLN 462 Cb 0.42 -1.69 -0.11 0.00 0.00 0.00 0.00 30.24 28.86 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 -4.44 5.35 0.72 2.61 0.01 0.31 -3.80 113.70 114.46 1cw3 s SER 463 Ca 0.04 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.10 1cw3 s SER 463 Cb 0.13 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1cw3 s SER 463 CO 0.76 0.11 1.23 -0.81 0.41 0.00 0.00 173.24 174.95 1cw3 n PRO 464 N 3.94 0.67 -3.73 12.44 -0.04 -1.26 -4.30 135.00 142.72 1cw3 n PRO 464 Ca -0.17 0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1cw3 n PRO 464 Cb 0.52 -2.47 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 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 -1.73 -0.19 -0.06 0.54 5.36 0.17 -4.92 117.98 117.15 1cw3 s PHE 465 Ca 0.78 0.55 -0.30 0.00 -0.96 0.00 0.00 56.93 57.00 1cw3 s PHE 465 Cb -0.34 -0.10 0.10 0.00 -0.34 0.00 0.00 43.02 42.33 1cw3 s PHE 465 CO 0.45 -0.20 1.34 0.20 -1.46 0.00 0.00 175.22 175.55 1cw3 s GLY 466 N 1.43 -0.18 0.31 13.12 0.00 -1.26 -0.83 107.32 119.90 1cw3 s GLY 466 Ca -0.07 0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.87 1cw3 s GLY 466 CO -0.06 6.33 -0.10 -0.32 0.00 0.00 0.00 173.10 178.94 1cw3 s GLY 467 N -3.89 1.98 0.33 0.20 0.00 -1.26 -3.95 107.32 100.73 1cw3 s GLY 467 Ca 0.31 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 43.13 1cw3 s GLY 467 CO -0.02 -1.94 0.50 -0.19 0.00 0.00 0.00 173.10 171.45 1cw3 s TYR 468 N -2.52 3.41 0.00 1.90 1.51 -0.16 -4.25 117.35 117.24 1cw3 s TYR 468 Ca 0.32 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1cw3 s TYR 468 Cb -0.02 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1cw3 s TYR 468 CO 0.17 0.13 0.00 1.63 -1.11 0.00 0.00 175.55 176.37 1cw3 n LYS 469 N -1.70 0.00 -0.18 -0.62 5.02 -1.26 -2.04 118.16 117.38 1cw3 n LYS 469 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1cw3 n LYS 469 Cb 0.57 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.70 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 14.00 1.79 0.00 1.97 2.81 -0.52 -3.56 117.12 133.62 1cw3 n MET 470 Ca 0.00 -0.95 0.14 0.00 -1.81 0.00 0.00 57.70 55.08 1cw3 n MET 470 Cb 0.00 -1.35 0.59 0.00 -0.71 0.00 0.00 33.22 31.75 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 0.23 0.71 0.00 7.83 7.64 -0.86 -4.63 113.62 124.53 1cw3 n SER 471 Ca 0.09 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1cw3 n SER 471 Cb 0.31 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 1.24 0.50 3.58 0.23 0.00 -1.23 0.02 105.19 109.52 1cw3 n GLY 472 Ca 0.16 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -4.00 -0.76 0.00 1.61 1.04 -0.29 -4.57 113.70 106.73 1cw3 s SER 473 Ca 0.00 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1cw3 s SER 473 Cb 0.00 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1cw3 s SER 473 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1cw3 n GLY 474 N 3.27 -0.27 3.12 7.32 0.00 -1.26 -1.53 105.19 115.84 1cw3 n GLY 474 Ca -0.16 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.66 0.70 0.28 1.61 1.81 -1.26 -4.35 118.95 116.08 1cw3 s ARG 475 Ca 0.00 -0.97 0.12 0.00 -1.72 0.00 0.00 55.73 53.16 1cw3 s ARG 475 Cb 0.00 -0.43 -0.05 0.00 -0.45 0.00 0.00 34.95 34.02 1cw3 s ARG 475 CO 0.00 0.07 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.30 1cw3 s GLU 476 N -2.21 1.72 0.17 3.54 2.02 -0.01 -4.02 118.70 119.90 1cw3 s GLU 476 Ca -0.02 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1cw3 s GLU 476 Cb -0.06 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1cw3 s GLU 476 CO -0.00 0.33 0.00 1.28 0.02 0.00 0.00 175.26 176.89 1cw3 n LEU 477 N -0.61 -0.30 0.00 1.80 4.77 -1.26 0.44 117.00 121.84 1cw3 n LEU 477 Ca -0.05 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1cw3 n LEU 477 Cb 0.60 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1cw3 n LEU 477 CO 0.38 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1cw3 n GLY 478 N -2.94 -0.52 0.20 -0.72 0.00 0.15 -1.82 105.19 99.56 1cw3 n GLY 478 Ca -0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 0.52 -0.87 1.61 4.81 -1.87 -3.16 114.58 115.61 1cw3 h GLU 479 Ca 0.00 -0.34 0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1cw3 h GLU 479 Cb 0.00 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1cw3 h GLU 479 CO 0.00 0.96 0.57 1.88 -0.73 0.00 0.00 179.01 181.69 1cw3 h TYR 480 N 0.39 0.65 0.00 0.92 -1.99 -1.93 -0.57 116.97 114.43 1cw3 h TYR 480 Ca -0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1cw3 h TYR 480 Cb 1.14 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.67 1cw3 h TYR 480 CO 0.04 0.21 0.00 0.41 -0.00 0.00 0.00 178.16 178.83 1cw3 n GLY 481 N -1.48 -0.38 0.08 3.88 0.00 -0.75 -1.51 105.19 105.02 1cw3 n GLY 481 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.23 0.39 -0.21 0.99 4.77 -0.22 -4.47 117.00 117.02 1cw3 n LEU 482 Ca 0.03 0.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1cw3 n LEU 482 Cb 0.03 0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1cw3 n LEU 482 CO 0.04 0.32 0.81 1.56 -1.33 0.00 0.00 177.39 178.78 1cw3 h GLN 483 N 0.00 0.08 0.00 3.23 4.20 -1.39 -1.43 115.11 119.80 1cw3 h GLN 483 Ca -0.32 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1cw3 h GLN 483 Cb 1.86 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.63 1cw3 h GLN 483 CO 0.04 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1cw3 h ALA 484 N 1.60 1.00 -0.55 3.87 0.00 -1.78 -2.91 119.26 120.49 1cw3 h ALA 484 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1cw3 h ALA 484 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cw3 h ALA 484 CO -0.57 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.34 1cw3 n TYR 485 N -2.93 1.74 -4.84 0.00 4.02 -0.55 -4.90 117.16 109.71 1cw3 n TYR 485 Ca 0.01 -0.71 -0.26 0.00 -0.01 0.00 0.00 57.90 56.92 1cw3 n TYR 485 Cb 0.27 -0.40 -0.16 0.00 -0.02 0.00 0.00 39.34 39.02 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 -2.49 1.45 -0.27 -0.72 2.01 -1.10 -2.37 115.64 112.14 1cw3 s THR 486 Ca 0.52 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1cw3 s THR 486 Cb 0.38 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1cw3 s THR 486 CO 0.17 0.42 0.00 -0.70 -0.69 0.00 0.00 174.62 173.82 1cw3 s GLU 487 N 0.07 2.93 -0.01 4.92 2.56 0.02 -4.75 118.70 124.44 1cw3 s GLU 487 Ca -0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 54.97 53.70 1cw3 s GLU 487 Cb -0.12 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 32.83 1cw3 s GLU 487 CO 0.02 -0.42 0.94 0.08 -0.56 0.00 0.00 175.26 175.32 1cw3 s VAL 488 N 1.40 4.88 -0.14 3.70 1.01 -1.26 -1.59 120.40 128.40 1cw3 s VAL 488 Ca 0.01 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.98 1cw3 s VAL 488 Cb -0.17 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.95 1cw3 s VAL 488 CO -0.01 0.18 -0.17 -0.75 0.00 0.00 0.00 175.10 174.34 1cw3 s LYS 489 N 0.95 2.56 -0.15 2.72 2.20 -0.74 -4.96 119.74 122.32 1cw3 s LYS 489 Ca 0.50 -0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 1cw3 s LYS 489 Cb -0.21 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1cw3 s LYS 489 CO 0.27 -0.12 0.37 0.99 -0.36 0.00 0.00 175.35 176.50 1cw3 s THR 490 N 1.12 5.25 -0.28 3.43 2.01 -1.26 -0.32 115.64 125.59 1cw3 s THR 490 Ca -0.02 0.72 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1cw3 s THR 490 Cb -0.14 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1cw3 s THR 490 CO -0.06 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.46 1cw3 s VAL 491 N 0.64 2.47 -0.36 3.82 1.01 0.86 -4.98 120.40 123.85 1cw3 s VAL 491 Ca 0.20 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 1cw3 s VAL 491 Cb -0.14 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1cw3 s VAL 491 CO 0.07 -0.07 0.16 -0.89 0.00 0.00 0.00 175.10 174.37 1cw3 s THR 492 N 1.15 4.11 -0.16 3.92 2.01 -1.26 -1.79 115.64 123.63 1cw3 s THR 492 Ca -0.07 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.78 1cw3 s THR 492 Cb -0.20 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1cw3 s THR 492 CO -0.04 -0.25 0.06 -0.69 -0.69 0.00 0.00 174.62 173.02 1cw3 s VAL 493 N 1.46 4.83 0.12 3.82 1.01 0.52 -4.92 120.40 127.24 1cw3 s VAL 493 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1cw3 s VAL 493 Cb -0.20 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1cw3 s VAL 493 CO 0.04 0.51 1.24 -0.75 0.00 0.00 0.00 175.10 176.14 1cw3 s LYS 494 N -0.08 4.43 0.16 2.72 2.20 -1.26 0.26 119.74 128.17 1cw3 s LYS 494 Ca 0.07 1.88 0.09 0.00 -0.36 0.00 0.00 55.97 57.64 1cw3 s LYS 494 Cb -0.12 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1cw3 s LYS 494 CO 0.01 -0.23 -0.19 0.14 -0.36 0.00 0.00 175.35 174.72 1cw3 s VAL 495 N 0.61 1.83 0.29 4.02 -7.23 -0.08 -4.87 120.40 114.97 1cw3 s VAL 495 Ca 0.57 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1cw3 s VAL 495 Cb -0.32 -1.82 0.28 0.00 0.56 0.00 0.00 36.38 35.08 1cw3 s VAL 495 CO 0.33 -0.27 1.79 -0.65 -0.31 0.00 0.00 175.10 175.98 1cw3 h PRO 496 N 3.37 0.77 -0.96 4.82 0.11 -1.96 -3.42 132.00 134.72 1cw3 h PRO 496 Ca -0.43 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1cw3 h PRO 496 Cb 1.20 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.91 1cw3 h PRO 496 CO 0.49 0.51 0.10 -1.14 -0.21 0.00 0.00 178.00 177.75 1cw3 s GLN 497 N -5.91 0.33 0.24 1.05 0.74 -1.26 -5.05 119.66 109.80 1cw3 s GLN 497 Ca -0.12 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.76 1cw3 s GLN 497 Cb 0.23 0.45 -0.09 0.00 1.10 0.00 0.00 33.01 34.70 1cw3 s GLN 497 CO 0.80 -0.20 0.92 0.21 -0.55 0.00 0.00 175.29 176.47 1cw3 s LYS 498 N 2.66 4.80 0.04 1.67 2.20 -1.26 -5.04 119.74 124.81 1cw3 s LYS 498 Ca 0.00 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1cw3 s LYS 498 Cb -0.09 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1cw3 s LYS 498 CO -0.17 0.50 -0.04 -0.80 -0.36 0.00 0.00 175.35 174.48 1cw3 s ASN 499 N -1.22 0.50 0.00 1.43 0.01 -1.26 -4.97 114.94 109.43 1cw3 s ASN 499 Ca 0.41 -0.68 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1cw3 s ASN 499 Cb -0.25 0.11 0.30 0.00 0.41 0.00 0.00 41.25 41.82 1cw3 s ASN 499 CO 0.31 -0.37 0.77 -1.54 -1.51 0.00 0.00 177.10 174.76