#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cw3 s VAL 8 N 0.00 4.12 0.66 0.00 1.01 -1.26 -5.02 120.40 119.91 1cw3 s VAL 8 Ca 0.00 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.07 1cw3 s VAL 8 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1cw3 s VAL 8 CO 0.00 -0.52 1.17 -2.16 0.00 0.00 0.00 175.10 173.59 1cw3 s PRO 9 N 4.25 2.62 0.07 2.72 0.04 -1.26 -4.93 135.00 138.51 1cw3 s PRO 9 Ca 0.56 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 1cw3 s PRO 9 Cb -0.16 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1cw3 s PRO 9 CO 0.24 -1.44 1.74 0.00 0.04 0.00 0.00 177.00 177.58 1cw3 s ALA 10 N -1.99 3.69 0.51 8.56 0.00 -1.26 -4.99 121.76 126.29 1cw3 s ALA 10 Ca 0.73 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.78 1cw3 s ALA 10 Cb -0.26 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.05 1cw3 s ALA 10 CO 0.40 -1.21 1.01 -1.25 0.00 0.00 0.00 175.76 174.71 1cw3 s PRO 11 N 2.95 3.79 -0.58 0.00 0.04 -1.26 -5.01 135.00 134.93 1cw3 s PRO 11 Ca 0.77 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1cw3 s PRO 11 Cb -0.41 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1cw3 s PRO 11 CO 0.34 -0.41 0.72 1.21 0.04 0.00 0.00 177.00 178.90 1cw3 s ASN 12 N -2.54 6.19 0.08 6.66 3.84 -1.26 -4.92 114.94 123.00 1cw3 s ASN 12 Ca 0.63 -1.24 0.06 0.00 0.21 0.00 0.00 52.86 52.51 1cw3 s ASN 12 Cb -0.13 -2.32 0.30 0.00 -0.55 0.00 0.00 41.25 38.56 1cw3 s ASN 12 CO 0.26 -1.11 1.17 0.00 -2.79 0.00 0.00 177.10 174.63 1cw3 n GLN 13 N 6.48 0.04 -3.16 0.43 6.02 -1.26 -3.16 117.38 122.77 1cw3 n GLN 13 Ca -0.08 0.53 -0.20 0.00 -0.01 0.00 0.00 57.00 57.24 1cw3 n GLN 13 Cb 0.44 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.69 0.84 -1.86 -1.09 6.02 -1.26 -5.00 117.38 113.34 1cw3 n GLN 14 Ca -0.00 -3.20 -0.40 0.00 -0.01 0.00 0.00 57.00 53.39 1cw3 n GLN 14 Cb 0.02 -1.43 0.01 0.00 1.02 0.00 0.00 30.24 29.85 1cw3 n GLN 14 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1cw3 s PRO 15 N -1.62 3.83 0.57 -1.09 0.04 -1.19 -4.98 135.00 130.55 1cw3 s PRO 15 Ca 0.37 2.39 -0.17 0.00 0.04 0.00 0.00 61.00 63.62 1cw3 s PRO 15 Cb 0.26 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 1cw3 s PRO 15 CO -0.10 -0.69 1.07 -2.00 0.04 0.00 0.00 177.00 175.32 1cw3 s GLU 16 N -2.34 3.37 -0.24 4.56 2.12 -1.26 -5.01 118.70 119.90 1cw3 s GLU 16 Ca 0.59 1.34 -0.07 0.00 0.36 0.00 0.00 54.97 57.19 1cw3 s GLU 16 Cb -0.43 -2.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1cw3 s GLU 16 CO 0.56 -0.79 0.05 0.08 -0.54 0.00 0.00 175.26 174.62 1cw3 s VAL 17 N -2.20 4.23 -0.08 3.70 1.01 -1.26 -4.97 120.40 120.84 1cw3 s VAL 17 Ca 0.67 -0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.62 1cw3 s VAL 17 Cb -0.18 -2.96 -0.26 0.00 0.00 0.00 0.00 36.38 32.97 1cw3 s VAL 17 CO 0.32 0.37 0.28 0.49 0.00 0.00 0.00 175.10 176.55 1cw3 n PHE 18 N 4.72 0.00 -3.95 5.22 3.01 -1.26 -4.93 117.46 120.27 1cw3 n PHE 18 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.02 1cw3 n PHE 18 Cb 0.51 -0.58 -0.17 0.00 -0.01 0.00 0.00 39.48 39.23 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 4.87 0.05 -1.51 0.00 6.94 -1.26 -4.69 115.26 119.66 1cw3 n ASN 20 Ca -0.14 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 1cw3 n ASN 20 Cb 0.50 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 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 0.03 2.33 -3.39 -3.83 6.02 -1.26 -0.75 117.38 116.53 1cw3 n GLN 21 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1cw3 n GLN 21 Cb 0.70 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.89 1cw3 n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1cw3 s ILE 22 N -0.23 5.21 -0.44 5.09 1.01 -0.04 -4.70 121.20 127.10 1cw3 s ILE 22 Ca 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.21 1cw3 s ILE 22 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1cw3 s ILE 22 CO 0.00 0.29 0.55 0.12 0.00 0.00 0.00 174.94 175.90 1cw3 s PHE 23 N 1.01 3.11 -0.02 3.97 5.36 -0.13 -0.46 117.98 130.82 1cw3 s PHE 23 Ca 0.20 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1cw3 s PHE 23 Cb -0.14 -3.18 0.02 0.00 -0.34 0.00 0.00 43.02 39.37 1cw3 s PHE 23 CO 0.08 -0.83 -0.00 0.42 -1.46 0.00 0.00 175.22 173.43 1cw3 s ILE 24 N 2.49 0.17 -1.52 3.12 1.01 -0.49 -0.64 121.20 125.34 1cw3 s ILE 24 Ca 0.17 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1cw3 s ILE 24 Cb -0.16 -0.24 0.08 0.00 0.01 0.00 0.00 42.46 42.15 1cw3 s ILE 24 CO 0.15 0.13 0.92 0.59 0.00 0.00 0.00 174.94 176.73 1cw3 n ASN 25 N 3.94 -4.78 -0.56 3.58 3.02 -1.26 -1.22 115.26 117.98 1cw3 n ASN 25 Ca -0.25 -0.73 -0.07 0.00 -0.03 0.00 0.00 54.58 53.50 1cw3 n ASN 25 Cb 0.52 -3.82 -0.03 0.00 -0.61 0.00 0.00 39.78 35.83 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 -2.76 -4.68 -4.39 6.41 5.03 -1.26 -4.59 115.26 109.01 1cw3 n ASN 26 Ca 0.03 0.18 -0.21 0.00 0.87 0.00 0.00 54.58 55.46 1cw3 n ASN 26 Cb 0.53 -2.82 -0.10 0.00 -1.02 0.00 0.00 39.78 36.37 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 -2.29 1.47 -0.19 3.52 2.02 -0.36 -5.02 118.70 117.85 1cw3 s GLU 27 Ca 0.00 -1.66 -0.10 0.00 0.02 0.00 0.00 54.97 53.22 1cw3 s GLU 27 Cb 0.00 -1.36 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 1cw3 s GLU 27 CO 0.00 0.23 0.15 -1.58 0.02 0.00 0.00 175.26 174.08 1cw3 s TRP 28 N -2.80 3.42 0.09 1.61 0.52 -1.26 -1.39 118.94 119.13 1cw3 s TRP 28 Ca 0.25 0.36 0.06 0.00 0.02 0.00 0.00 56.10 56.79 1cw3 s TRP 28 Cb -0.02 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1cw3 s TRP 28 CO 0.10 0.30 -0.15 -1.01 0.02 0.00 0.00 176.95 176.21 1cw3 s HIS 29 N 0.33 1.33 0.48 -1.98 3.76 0.40 -4.93 115.29 114.68 1cw3 s HIS 29 Ca 0.09 -0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1cw3 s HIS 29 Cb -0.11 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 1cw3 s HIS 29 CO -0.01 0.10 0.80 -0.51 -0.85 0.00 0.00 174.74 174.26 1cw3 s ASP 30 N -1.99 6.31 0.63 1.40 -0.00 -1.26 -0.86 116.67 120.89 1cw3 s ASP 30 Ca 0.02 1.00 -0.19 0.00 -0.00 0.00 0.00 52.55 53.39 1cw3 s ASP 30 Cb -0.08 -2.28 -0.02 0.00 -0.00 0.00 0.00 42.92 40.54 1cw3 s ASP 30 CO 0.03 -0.57 1.28 0.00 -0.00 0.00 0.00 175.17 175.91 1cw3 s ALA 31 N -2.70 2.45 0.43 5.23 0.00 -1.26 -4.83 121.76 121.07 1cw3 s ALA 31 Ca 0.49 1.18 0.14 0.00 0.00 0.00 0.00 51.96 53.77 1cw3 s ALA 31 Cb -0.10 -3.53 1.03 0.00 0.00 0.00 0.00 23.12 20.51 1cw3 s ALA 31 CO 0.43 -1.47 1.94 0.28 0.00 0.00 0.00 175.76 176.94 1cw3 h VAL 32 N 0.71 0.84 0.00 0.00 2.07 -1.95 0.32 116.25 118.24 1cw3 h VAL 32 Ca -0.51 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1cw3 h VAL 32 Cb 1.32 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1cw3 h VAL 32 CO 0.54 0.08 -0.05 -1.54 0.02 0.00 0.00 177.57 176.62 1cw3 n SER 33 N -4.48 0.19 0.00 0.57 3.41 -1.26 -4.90 113.62 107.15 1cw3 n SER 33 Ca 0.13 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1cw3 n SER 33 Cb 0.46 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.64 -0.42 -2.29 4.33 5.12 0.11 -4.98 116.66 116.88 1cw3 n ARG 34 Ca 0.07 0.11 -0.33 0.00 -1.93 0.00 0.00 57.85 55.76 1cw3 n ARG 34 Cb 0.36 -3.65 -0.01 0.00 -1.16 0.00 0.00 32.46 28.00 1cw3 n ARG 34 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1cw3 s LYS 35 N -0.67 3.61 0.08 5.56 1.02 -1.26 -4.83 119.74 123.25 1cw3 s LYS 35 Ca 0.00 1.21 -0.01 0.00 0.02 0.00 0.00 55.97 57.19 1cw3 s LYS 35 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1cw3 s LYS 35 CO 0.00 -0.57 -0.00 0.95 -0.92 0.00 0.00 175.35 174.80 1cw3 s THR 36 N -2.32 0.22 0.05 2.17 -4.23 -1.26 -1.19 115.64 109.08 1cw3 s THR 36 Ca 0.64 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1cw3 s THR 36 Cb -0.15 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1cw3 s THR 36 CO 0.30 -0.81 -0.11 0.72 -0.54 0.00 0.00 174.62 174.17 1cw3 s PHE 37 N -3.94 0.96 0.35 3.99 -0.12 0.16 -4.81 117.98 114.57 1cw3 s PHE 37 Ca 0.13 -0.43 -0.20 0.00 -0.05 0.00 0.00 56.93 56.38 1cw3 s PHE 37 Cb 0.08 -0.56 -0.10 0.00 -0.63 0.00 0.00 43.02 41.81 1cw3 s PHE 37 CO -0.06 -0.01 0.85 -1.25 -0.05 0.00 0.00 175.22 174.71 1cw3 s PRO 38 N -1.47 4.24 -0.16 1.99 0.04 -1.26 -0.86 135.00 137.51 1cw3 s PRO 38 Ca -0.04 1.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.99 1cw3 s PRO 38 Cb -0.09 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 1cw3 s PRO 38 CO 0.01 0.15 -0.14 -0.08 0.04 0.00 0.00 177.00 176.98 1cw3 s THR 39 N -1.91 2.74 0.08 1.26 -1.32 -0.90 -4.94 115.64 110.65 1cw3 s THR 39 Ca 0.54 -0.74 -0.06 0.00 -1.21 0.00 0.00 61.69 60.23 1cw3 s THR 39 Cb -0.12 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.64 1cw3 s THR 39 CO 0.18 0.51 0.33 -0.69 -2.21 0.00 0.00 174.62 172.74 1cw3 s VAL 40 N 0.90 5.21 -0.45 5.08 1.01 -1.26 -0.35 120.40 130.54 1cw3 s VAL 40 Ca -0.03 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1cw3 s VAL 40 Cb -0.15 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1cw3 s VAL 40 CO -0.01 0.19 0.78 0.21 0.00 0.00 0.00 175.10 176.27 1cw3 s ASN 41 N -2.09 6.40 0.31 3.32 2.47 0.57 -4.80 114.94 121.13 1cw3 s ASN 41 Ca 0.35 -0.16 0.22 0.00 0.42 0.00 0.00 52.86 53.68 1cw3 s ASN 41 Cb -0.13 -2.38 1.14 0.00 -1.45 0.00 0.00 41.25 38.43 1cw3 s ASN 41 CO 0.21 -0.92 1.66 -0.81 -3.72 0.00 0.00 177.10 173.53 1cw3 n PRO 42 N 6.70 0.15 0.12 0.43 -0.04 -1.26 0.23 135.00 141.33 1cw3 n PRO 42 Ca 0.02 0.61 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1cw3 n PRO 42 Cb 0.48 -1.95 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.00 0.00 3.54 0.02 -1.89 -1.75 113.55 113.46 1cw3 h SER 43 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cw3 h SER 43 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1cw3 h SER 43 CO 0.00 0.49 -0.77 0.35 -1.14 0.00 0.00 176.83 175.76 1cw3 n THR 44 N -3.15 0.00 -0.74 -2.27 -2.24 -0.89 -3.70 114.28 101.29 1cw3 n THR 44 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1cw3 n THR 44 Cb 0.74 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1cw3 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 45 N 2.06 1.50 3.83 3.38 0.00 0.14 -4.43 105.19 111.68 1cw3 n GLY 45 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.00 4.11 0.15 1.61 8.01 -1.23 -4.75 118.70 126.59 1cw3 s GLU 46 Ca 0.00 0.91 -0.30 0.00 0.01 0.00 0.00 54.97 55.59 1cw3 s GLU 46 Cb 0.00 -2.29 -0.07 0.00 -4.31 0.00 0.00 34.13 27.46 1cw3 s GLU 46 CO 0.00 0.03 1.13 0.08 0.01 0.00 0.00 175.26 176.51 1cw3 s VAL 47 N -2.13 3.90 -0.12 2.63 1.01 -1.26 -0.31 120.40 124.12 1cw3 s VAL 47 Ca 0.58 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 64.07 1cw3 s VAL 47 Cb -0.10 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1cw3 s VAL 47 CO 0.16 0.23 -0.00 0.40 0.00 0.00 0.00 175.10 175.89 1cw3 h ILE 48 N 3.93 0.15 -2.91 2.22 2.04 -1.02 -3.46 117.51 118.46 1cw3 h ILE 48 Ca -0.44 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.33 1cw3 h ILE 48 Cb 1.21 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1cw3 h ILE 48 CO 0.74 0.05 0.31 0.00 0.00 0.00 0.00 178.15 179.25 1cw3 s GLN 50 N -2.82 3.55 0.03 0.00 2.00 -1.26 -2.12 119.66 119.04 1cw3 s GLN 50 Ca 0.15 -0.17 0.05 0.00 -2.00 0.00 0.00 55.36 53.39 1cw3 s GLN 50 Cb -0.05 -3.03 -0.02 0.00 0.80 0.00 0.00 33.01 30.71 1cw3 s GLN 50 CO 0.09 0.61 -0.15 0.08 -0.50 0.00 0.00 175.29 175.42 1cw3 s VAL 51 N -1.40 1.20 0.25 1.34 1.01 -0.04 -4.86 120.40 117.90 1cw3 s VAL 51 Ca 0.31 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1cw3 s VAL 51 Cb -0.13 -1.06 -0.12 0.00 0.00 0.00 0.00 36.38 35.07 1cw3 s VAL 51 CO 0.20 0.08 1.62 0.00 0.00 0.00 0.00 175.10 176.99 1cw3 n ALA 52 N 2.00 2.41 -3.24 5.51 0.00 0.07 -0.67 120.51 126.59 1cw3 n ALA 52 Ca -0.17 0.39 -0.46 0.00 0.00 0.00 0.00 53.44 53.20 1cw3 n ALA 52 Cb 0.55 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 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 0.11 3.71 0.49 0.00 2.12 -0.33 -4.40 118.70 120.39 1cw3 s GLU 53 Ca 0.69 -2.46 -0.22 0.00 0.36 0.00 0.00 54.97 53.34 1cw3 s GLU 53 Cb -0.53 -4.56 -0.07 0.00 0.26 0.00 0.00 34.13 29.23 1cw3 s GLU 53 CO 0.43 -1.39 1.20 0.20 -0.54 0.00 0.00 175.26 175.16 1cw3 s GLY 54 N 2.33 2.79 0.00 -1.50 0.00 0.03 -4.78 107.32 106.19 1cw3 s GLY 54 Ca 0.24 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1cw3 s GLY 54 CO -0.09 1.47 0.00 1.34 0.00 0.00 0.00 173.10 175.83 1cw3 n ASP 55 N -0.68 -0.01 -0.27 1.64 -0.08 -1.26 -4.19 116.55 111.70 1cw3 n ASP 55 Ca 0.08 -1.03 0.05 0.00 -1.51 0.00 0.00 54.79 52.38 1cw3 n ASP 55 Cb 0.48 0.02 0.14 0.00 2.34 0.00 0.00 41.12 44.10 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 0.05 -0.30 -0.67 3.64 -1.91 -0.20 116.57 117.19 1cw3 h LYS 56 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cw3 h LYS 56 Cb 0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1cw3 h LYS 56 CO 0.00 0.03 0.10 0.93 -2.27 0.00 0.00 179.45 178.25 1cw3 h GLU 57 N 0.05 0.42 -0.05 1.90 5.08 -1.97 0.63 114.58 120.64 1cw3 h GLU 57 Ca 0.41 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.47 1cw3 h GLU 57 Cb 0.71 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1cw3 h GLU 57 CO -0.74 0.37 -0.95 -0.44 -1.00 0.00 0.00 179.01 176.24 1cw3 h ASP 58 N 0.42 0.92 -0.75 1.42 3.32 -1.47 -2.74 116.42 117.54 1cw3 h ASP 58 Ca 0.10 -0.69 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1cw3 h ASP 58 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1cw3 h ASP 58 CO -0.01 1.49 0.33 0.58 -1.72 0.00 0.00 179.24 179.92 1cw3 h VAL 59 N 0.44 1.25 -0.96 -1.35 2.07 -0.66 -1.28 116.25 115.76 1cw3 h VAL 59 Ca -0.10 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.72 1cw3 h VAL 59 Cb 1.60 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1cw3 h VAL 59 CO 0.19 0.30 0.63 0.44 0.02 0.00 0.00 177.57 179.15 1cw3 h ASP 60 N 1.07 1.04 -0.39 0.57 3.32 -0.85 0.84 116.42 122.01 1cw3 h ASP 60 Ca 0.25 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1cw3 h ASP 60 Cb 0.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1cw3 h ASP 60 CO -0.03 0.71 0.06 0.11 -1.72 0.00 0.00 179.24 178.37 1cw3 h LYS 61 N 1.21 0.65 -0.66 3.56 1.57 -1.07 -1.88 116.57 119.94 1cw3 h LYS 61 Ca 0.39 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1cw3 h LYS 61 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1cw3 h LYS 61 CO -0.13 0.71 0.30 0.00 -0.57 0.00 0.00 179.45 179.77 1cw3 h ALA 62 N 0.92 0.86 -0.63 3.86 0.00 -0.48 -1.52 119.26 122.27 1cw3 h ALA 62 Ca 0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1cw3 h ALA 62 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1cw3 h ALA 62 CO 0.01 0.44 0.04 0.28 0.00 0.00 0.00 179.25 180.01 1cw3 h VAL 63 N 0.92 1.26 -0.68 0.00 2.07 -0.77 -0.63 116.25 118.43 1cw3 h VAL 63 Ca 0.23 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1cw3 h VAL 63 Cb 0.15 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1cw3 h VAL 63 CO -0.03 0.41 0.21 0.11 0.02 0.00 0.00 177.57 178.30 1cw3 h LYS 64 N 1.00 1.04 -0.21 1.57 1.57 -1.00 0.72 116.57 121.25 1cw3 h LYS 64 Ca 0.18 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1cw3 h LYS 64 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1cw3 h LYS 64 CO 0.03 0.88 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 1cw3 h ALA 65 N 1.23 0.28 -0.28 3.86 0.00 -0.99 -2.08 119.26 121.28 1cw3 h ALA 65 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1cw3 h ALA 65 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cw3 h ALA 65 CO -0.01 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.35 1cw3 h ALA 66 N 0.78 0.37 -0.84 0.00 0.00 -0.95 -1.97 119.26 116.66 1cw3 h ALA 66 Ca 0.06 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1cw3 h ALA 66 Cb 0.42 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1cw3 h ALA 66 CO 0.01 -0.01 0.50 -0.09 0.00 0.00 0.00 179.25 179.67 1cw3 h ARG 67 N 0.30 0.87 -0.18 0.00 9.65 -0.84 -1.98 114.38 122.20 1cw3 h ARG 67 Ca 0.09 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1cw3 h ARG 67 Cb 0.22 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1cw3 h ARG 67 CO -0.00 0.57 0.09 0.00 2.80 0.00 0.00 179.97 183.43 1cw3 h ALA 68 N 1.42 0.23 0.00 2.80 0.00 -1.11 -2.14 119.26 120.46 1cw3 h ALA 68 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1cw3 h ALA 68 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cw3 h ALA 68 CO -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1cw3 h ALA 69 N 0.96 1.00 -0.64 0.00 0.00 -0.74 -1.29 119.26 118.55 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1cw3 h ALA 69 CO -0.01 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.58 1cw3 n PHE 70 N -2.47 0.85 -2.26 0.00 7.35 -0.80 -4.38 117.46 115.76 1cw3 n PHE 70 Ca -0.01 -0.43 -0.41 0.00 -0.76 0.00 0.00 57.45 55.85 1cw3 n PHE 70 Cb 0.11 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.91 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 -1.15 4.45 0.22 -4.13 -1.52 -0.49 -4.93 119.66 112.11 1cw3 s GLN 71 Ca 0.46 2.04 -0.32 0.00 -1.95 0.00 0.00 55.36 55.59 1cw3 s GLN 71 Cb 0.25 -3.15 -0.14 0.00 -0.22 0.00 0.00 33.01 29.75 1cw3 s GLN 71 CO 0.33 -0.10 1.42 -0.11 -0.25 0.00 0.00 175.29 176.58 1cw3 n LEU 72 N 1.58 3.00 0.00 2.90 7.94 -1.26 -1.04 117.00 130.11 1cw3 n LEU 72 Ca 0.02 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1cw3 n LEU 72 Cb 0.43 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1cw3 n LEU 72 CO 0.57 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 1cw3 n GLY 73 N 2.34 1.04 3.85 -3.96 0.00 -1.26 -5.05 105.19 102.15 1cw3 n GLY 73 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.97 5.87 0.26 1.61 1.04 -0.21 -4.79 113.70 114.51 1cw3 s SER 74 Ca 0.00 1.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.86 1cw3 s SER 74 Cb 0.00 -2.43 0.55 0.00 0.10 0.00 0.00 66.02 64.25 1cw3 s SER 74 CO 0.00 -1.11 1.69 -0.65 0.98 0.00 0.00 173.24 174.15 1cw3 h PRO 75 N -0.49 0.30 -0.32 4.02 0.11 -1.88 0.13 132.00 133.87 1cw3 h PRO 75 Ca -0.44 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 1cw3 h PRO 75 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1cw3 h PRO 75 CO 0.60 0.20 -0.45 2.35 -0.21 0.00 0.00 178.00 180.50 1cw3 h TRP 76 N 0.31 1.03 -0.00 0.65 -0.00 -1.93 -1.88 115.95 114.13 1cw3 h TRP 76 Ca 0.47 -0.33 -0.15 0.00 -0.00 0.00 0.00 58.89 58.88 1cw3 h TRP 76 Cb 0.83 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.76 1cw3 h TRP 76 CO -0.23 1.14 -0.70 0.00 -0.00 0.00 0.00 178.44 178.64 1cw3 h ARG 77 N 0.68 0.00 0.00 2.65 2.47 -1.48 -3.25 114.38 115.44 1cw3 h ARG 77 Ca 0.04 -0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 1cw3 h ARG 77 Cb 1.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 1cw3 h ARG 77 CO 0.10 0.70 -0.96 0.00 0.56 0.00 0.00 179.97 180.38 1cw3 h ARG 78 N 0.00 0.00 -6.64 0.04 3.08 -1.04 -3.47 114.38 106.35 1cw3 h ARG 78 Ca -0.01 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 1cw3 h ARG 78 Cb 1.25 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.41 1cw3 h ARG 78 CO 0.09 0.19 0.29 -0.12 -1.07 0.00 0.00 179.97 179.35 1cw3 n MET 79 N -2.90 1.65 -2.04 0.04 1.56 -0.71 -4.92 117.12 109.79 1cw3 n MET 79 Ca -0.03 0.58 -0.40 0.00 -0.27 0.00 0.00 57.70 57.58 1cw3 n MET 79 Cb 0.69 -2.10 -0.01 0.00 2.15 0.00 0.00 33.22 33.95 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 -0.53 6.58 0.33 6.12 1.01 -1.26 -4.90 116.67 124.02 1cw3 s ASP 80 Ca 0.59 2.75 0.04 0.00 0.71 0.00 0.00 52.55 56.64 1cw3 s ASP 80 Cb -0.60 -2.65 0.67 0.00 1.01 0.00 0.00 42.92 41.35 1cw3 s ASP 80 CO 0.60 -0.67 1.92 0.00 0.21 0.00 0.00 175.17 177.22 1cw3 h ALA 81 N 3.14 1.65 0.00 5.23 0.00 -1.91 0.11 119.26 127.48 1cw3 h ALA 81 Ca -0.49 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1cw3 h ALA 81 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1cw3 h ALA 81 CO 0.64 0.19 -0.24 0.66 0.00 0.00 0.00 179.25 180.51 1cw3 h SER 82 N 0.86 0.00 0.37 0.00 4.64 -1.91 -1.90 113.55 115.62 1cw3 h SER 82 Ca 0.38 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.50 1cw3 h SER 82 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1cw3 h SER 82 CO -0.15 0.24 -0.83 -0.74 -0.87 0.00 0.00 176.83 174.48 1cw3 h HIS 83 N 0.00 0.49 -0.97 4.77 6.17 -1.15 -1.88 115.15 122.58 1cw3 h HIS 83 Ca -0.00 -0.25 0.03 0.00 0.71 0.00 0.00 60.37 60.86 1cw3 h HIS 83 Cb 0.53 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 30.34 1cw3 h HIS 83 CO 0.00 1.03 0.64 0.00 0.71 0.00 0.00 177.93 180.31 1cw3 h ARG 84 N 0.21 1.22 -0.83 5.26 3.08 -0.85 0.01 114.38 122.49 1cw3 h ARG 84 Ca -0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1cw3 h ARG 84 Cb 1.44 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1cw3 h ARG 84 CO 0.14 0.81 0.37 0.78 -1.07 0.00 0.00 179.97 180.99 1cw3 h GLY 85 N 1.25 1.30 0.98 0.04 0.00 -1.23 -0.72 103.07 104.69 1cw3 h GLY 85 Ca 0.38 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1cw3 h GLY 85 CO -0.11 0.64 0.18 3.21 0.00 0.00 0.00 176.54 180.46 1cw3 h ARG 86 N 1.19 0.40 -0.69 4.80 2.47 -0.24 -1.83 114.38 120.47 1cw3 h ARG 86 Ca 0.28 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.93 1cw3 h ARG 86 Cb 0.16 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1cw3 h ARG 86 CO -0.03 0.30 0.28 -0.07 0.56 0.00 0.00 179.97 181.01 1cw3 h LEU 87 N 0.39 0.95 -1.06 3.04 3.38 -0.74 0.32 115.31 121.58 1cw3 h LEU 87 Ca 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1cw3 h LEU 87 Cb -0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1cw3 h LEU 87 CO -0.02 0.86 0.22 -0.07 0.09 0.00 0.00 178.44 179.52 1cw3 h LEU 88 N 0.99 0.81 -0.73 1.67 3.38 -0.93 0.17 115.31 120.66 1cw3 h LEU 88 Ca 0.23 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1cw3 h LEU 88 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1cw3 h LEU 88 CO -0.02 0.75 -0.63 0.78 0.09 0.00 0.00 178.44 179.41 1cw3 h ASN 89 N 0.87 0.00 -0.05 -0.43 2.35 -0.91 -1.84 115.58 115.57 1cw3 h ASN 89 Ca 0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1cw3 h ASN 89 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1cw3 h ASN 89 CO -0.01 0.63 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.27 1cw3 h ARG 90 N 0.00 0.10 -0.99 0.81 9.65 -0.10 -2.11 114.38 121.74 1cw3 h ARG 90 Ca -0.01 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.91 1cw3 h ARG 90 Cb 1.12 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.62 1cw3 h ARG 90 CO 0.08 0.53 0.63 1.25 2.80 0.00 0.00 179.97 185.26 1cw3 h LEU 91 N -0.32 0.96 -0.84 3.80 5.85 -0.60 -0.92 115.31 123.24 1cw3 h LEU 91 Ca 0.01 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1cw3 h LEU 91 Cb 0.51 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1cw3 h LEU 91 CO 0.01 0.57 0.17 0.00 -0.34 0.00 0.00 178.44 178.85 1cw3 h ALA 92 N 1.49 1.06 -0.49 1.25 0.00 -1.24 -1.46 119.26 119.86 1cw3 h ALA 92 Ca 0.46 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1cw3 h ALA 92 Cb 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1cw3 h ALA 92 CO -0.22 0.63 -0.07 -0.44 0.00 0.00 0.00 179.25 179.15 1cw3 h ASP 93 N 0.98 0.92 -0.44 0.00 3.32 -0.50 -1.06 116.42 119.64 1cw3 h ASP 93 Ca 0.21 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1cw3 h ASP 93 Cb 0.33 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1cw3 h ASP 93 CO -0.00 1.04 0.03 -0.07 -1.72 0.00 0.00 179.24 178.52 1cw3 h LEU 94 N 0.78 0.80 -0.51 1.55 3.38 -1.08 0.30 115.31 120.53 1cw3 h LEU 94 Ca 0.13 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1cw3 h LEU 94 Cb 0.62 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cw3 h LEU 94 CO 0.04 0.85 -0.15 0.40 0.09 0.00 0.00 178.44 179.67 1cw3 h ILE 95 N 0.78 1.27 -0.11 1.22 2.04 -1.05 -2.13 117.51 119.54 1cw3 h ILE 95 Ca 0.15 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 1cw3 h ILE 95 Cb 0.43 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1cw3 h ILE 95 CO 0.02 0.46 -0.34 -0.08 0.00 0.00 0.00 178.15 178.20 1cw3 h GLU 96 N 0.86 0.21 -0.64 2.37 4.81 -0.84 -0.67 114.58 120.69 1cw3 h GLU 96 Ca 0.12 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1cw3 h GLU 96 Cb 0.72 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1cw3 h GLU 96 CO 0.06 0.54 0.23 -0.09 -0.73 0.00 0.00 179.01 179.02 1cw3 h ARG 97 N 0.19 0.97 -0.95 1.92 2.43 -0.61 -2.69 114.38 115.64 1cw3 h ARG 97 Ca 0.02 -0.19 -0.46 0.00 -0.81 0.00 0.00 59.98 58.55 1cw3 h ARG 97 Cb 0.70 -0.15 -0.27 0.00 -0.42 0.00 0.00 29.97 29.83 1cw3 h ARG 97 CO 0.05 0.83 0.58 -0.25 -1.51 0.00 0.00 179.97 179.67 1cw3 n ASP 98 N -4.40 4.00 0.16 -3.80 8.00 -0.83 -4.69 116.55 114.99 1cw3 n ASP 98 Ca 0.04 -3.53 -0.14 0.00 0.71 0.00 0.00 54.79 51.88 1cw3 n ASP 98 Cb 0.19 -0.82 -0.07 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 1.37 -0.56 -0.67 -1.24 2.43 -0.78 -0.20 114.38 114.74 1cw3 h ARG 99 Ca 0.56 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.84 1cw3 h ARG 99 Cb 2.77 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 32.39 1cw3 h ARG 99 CO 1.03 -0.37 0.35 1.15 -1.51 0.00 0.00 179.97 180.62 1cw3 h THR 100 N -0.58 0.92 0.24 0.20 2.02 -1.84 0.19 112.91 114.06 1cw3 h THR 100 Ca 0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1cw3 h THR 100 Cb 0.56 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1cw3 h THR 100 CO -0.10 0.12 -0.12 0.22 0.37 0.00 0.00 175.52 176.01 1cw3 h TYR 101 N 0.63 -0.30 -0.34 3.16 3.20 -1.84 -2.24 116.97 119.24 1cw3 h TYR 101 Ca 0.31 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1cw3 h TYR 101 Cb 0.25 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1cw3 h TYR 101 CO -0.09 -0.07 0.05 -0.07 -1.64 0.00 0.00 178.16 176.34 1cw3 h LEU 102 N -0.49 0.47 -0.77 2.82 3.38 -0.77 -0.85 115.31 119.09 1cw3 h LEU 102 Ca -0.03 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1cw3 h LEU 102 Cb 0.37 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1cw3 h LEU 102 CO 0.05 0.50 0.07 0.00 0.09 0.00 0.00 178.44 179.16 1cw3 h ALA 103 N 1.57 0.98 0.05 1.53 0.00 -0.50 -0.00 119.26 122.88 1cw3 h ALA 103 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cw3 h ALA 103 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cw3 h ALA 103 CO 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1cw3 h ALA 104 N 1.13 -0.06 0.00 0.00 0.00 -0.95 -2.84 119.26 116.55 1cw3 h ALA 104 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 104 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cw3 h ALA 104 CO 0.01 -0.29 -0.03 1.25 0.00 0.00 0.00 179.25 180.19 1cw3 h LEU 105 N -0.55 0.00 -0.24 0.00 5.85 -1.09 0.34 115.31 119.62 1cw3 h LEU 105 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1cw3 h LEU 105 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1cw3 h LEU 105 CO 0.01 0.03 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.96 1cw3 h GLU 106 N 0.00 0.49 -0.41 1.25 4.57 -0.94 -2.39 114.58 117.16 1cw3 h GLU 106 Ca -0.00 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 1cw3 h GLU 106 Cb 0.06 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1cw3 h GLU 106 CO 0.00 0.75 -0.12 1.15 -1.18 0.00 0.00 179.01 179.61 1cw3 h THR 107 N 0.22 1.28 -0.63 0.32 2.02 -1.12 0.52 112.91 115.52 1cw3 h THR 107 Ca 0.06 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.05 1cw3 h THR 107 Cb 0.60 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1cw3 h THR 107 CO 0.03 0.41 0.35 0.25 0.37 0.00 0.00 175.52 176.94 1cw3 h LEU 108 N 0.62 0.53 0.00 2.58 5.85 -0.92 0.36 115.31 124.34 1cw3 h LEU 108 Ca 0.10 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.59 1cw3 h LEU 108 Cb 0.66 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1cw3 h LEU 108 CO 0.05 0.35 -1.47 -0.78 -0.34 0.00 0.00 178.44 176.25 1cw3 h ASP 109 N 0.67 0.00 0.00 1.25 3.58 -1.41 -3.39 116.42 117.12 1cw3 h ASP 109 Ca 0.28 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.33 1cw3 h ASP 109 Cb 0.14 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.13 1cw3 h ASP 109 CO -0.16 0.98 -2.47 -3.20 -2.88 0.00 0.00 179.24 171.51 1cw3 n ASN 110 N -3.13 2.00 0.00 2.28 2.85 0.17 -4.64 115.26 114.79 1cw3 n ASN 110 Ca -0.11 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1cw3 n ASN 110 Cb 1.01 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1cw3 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cw3 n GLY 111 N 2.18 1.52 3.75 8.20 0.00 0.13 -4.25 105.19 116.72 1cw3 n GLY 111 Ca -0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.67 2.72 0.28 1.61 -2.85 -1.26 -3.84 119.74 115.73 1cw3 s LYS 112 Ca 0.00 1.73 -0.30 0.00 -1.00 0.00 0.00 55.97 56.40 1cw3 s LYS 112 Cb 0.00 -1.91 -0.12 0.00 -2.06 0.00 0.00 37.83 33.74 1cw3 s LYS 112 CO 0.00 -1.38 1.47 -2.30 0.10 0.00 0.00 175.35 173.24 1cw3 n PRO 113 N -2.04 2.35 -0.34 1.78 -0.02 -1.26 -4.51 135.00 130.96 1cw3 n PRO 113 Ca 0.13 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.50 1cw3 n PRO 113 Cb 0.50 -2.53 0.21 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.13 1.04 -0.97 6.00 3.20 -1.26 -0.48 116.97 128.63 1cw3 h TYR 114 Ca -0.46 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.50 1cw3 h TYR 114 Cb 1.25 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1cw3 h TYR 114 CO 0.56 0.41 0.63 0.28 -1.64 0.00 0.00 178.16 178.41 1cw3 h VAL 115 N 0.92 1.09 -0.04 1.81 2.07 -1.90 0.12 116.25 120.32 1cw3 h VAL 115 Ca 0.46 -0.39 -0.25 0.00 0.82 0.00 0.00 66.70 67.35 1cw3 h VAL 115 Cb 0.45 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1cw3 h VAL 115 CO -0.26 0.21 -0.95 0.40 0.02 0.00 0.00 177.57 176.98 1cw3 h ILE 116 N 1.14 1.31 -0.71 4.57 1.08 -1.64 -1.03 117.51 122.23 1cw3 h ILE 116 Ca 0.42 -2.23 -0.02 0.00 -0.39 0.00 0.00 64.86 62.64 1cw3 h ILE 116 Cb 0.16 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1cw3 h ILE 116 CO -0.16 0.69 0.37 0.28 -0.69 0.00 0.00 178.15 178.63 1cw3 h SER 117 N 0.39 0.89 0.15 1.72 0.02 -0.50 0.11 113.55 116.32 1cw3 h SER 117 Ca -0.10 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1cw3 h SER 117 Cb 1.59 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1cw3 h SER 117 CO 0.18 0.73 -0.07 0.22 -1.14 0.00 0.00 176.83 176.76 1cw3 h TYR 118 N 1.00 -0.19 -0.05 3.45 3.20 -0.96 -0.76 116.97 122.67 1cw3 h TYR 118 Ca 0.25 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 1cw3 h TYR 118 Cb 0.06 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1cw3 h TYR 118 CO 0.01 -0.12 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.74 1cw3 h LEU 119 N -0.71 0.20 0.00 2.82 3.38 -1.25 -3.30 115.31 116.46 1cw3 h LEU 119 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1cw3 h LEU 119 Cb 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cw3 h LEU 119 CO 0.03 0.76 -0.23 0.52 0.09 0.00 0.00 178.44 179.61 1cw3 n VAL 120 N -3.86 0.37 0.03 1.22 0.31 0.26 -4.36 118.33 112.30 1cw3 n VAL 120 Ca -0.02 0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 64.59 1cw3 n VAL 120 Cb 0.61 -1.68 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.23 -0.97 0.93 4.52 3.32 -1.21 -1.26 116.42 121.52 1cw3 h ASP 121 Ca 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1cw3 h ASP 121 Cb 0.23 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1cw3 h ASP 121 CO 0.00 -0.37 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.76 1cw3 h LEU 122 N -0.43 0.00 -0.34 1.55 4.07 -1.24 -2.27 115.31 116.65 1cw3 h LEU 122 Ca 0.08 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.92 1cw3 h LEU 122 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1cw3 h LEU 122 CO -0.31 0.32 -0.27 -0.78 -1.08 0.00 0.00 178.44 176.32 1cw3 h ASP 123 N 0.00 0.83 0.06 -0.43 3.58 -1.55 -2.17 116.42 116.74 1cw3 h ASP 123 Ca -0.00 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 56.91 1cw3 h ASP 123 Cb 0.87 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1cw3 h ASP 123 CO 0.04 1.10 -0.27 0.24 -2.88 0.00 0.00 179.24 177.47 1cw3 h MET 124 N 0.57 0.34 0.33 0.28 2.86 -1.06 -0.81 114.93 117.44 1cw3 h MET 124 Ca 0.06 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1cw3 h MET 124 Cb 0.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1cw3 h MET 124 CO 0.07 0.59 -0.16 0.28 1.06 0.00 0.00 176.91 178.75 1cw3 h VAL 125 N 0.30 0.69 -0.47 -2.22 2.07 -1.29 -0.26 116.25 115.06 1cw3 h VAL 125 Ca 0.04 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1cw3 h VAL 125 Cb 0.64 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1cw3 h VAL 125 CO 0.05 0.07 0.16 -0.07 0.02 0.00 0.00 177.57 177.79 1cw3 h LEU 126 N -0.63 0.15 -0.83 2.57 3.38 -1.23 -1.44 115.31 117.28 1cw3 h LEU 126 Ca -0.05 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1cw3 h LEU 126 Cb 0.45 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1cw3 h LEU 126 CO 0.08 0.11 0.02 0.11 0.09 0.00 0.00 178.44 178.85 1cw3 h LYS 127 N 0.32 0.90 -0.18 1.13 1.57 -1.07 -1.25 116.57 117.98 1cw3 h LYS 127 Ca 0.23 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1cw3 h LYS 127 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1cw3 h LYS 127 CO -0.24 0.88 -0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1cw3 h LEU 129 N 0.08 0.14 -1.38 0.00 3.38 -1.19 -1.59 115.31 114.75 1cw3 h LEU 129 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1cw3 h LEU 129 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cw3 h LEU 129 CO 0.01 0.30 -0.06 0.03 0.09 0.00 0.00 178.44 178.80 1cw3 h ARG 130 N -0.02 0.33 0.13 1.13 3.08 -1.27 -0.43 114.38 117.33 1cw3 h ARG 130 Ca 0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1cw3 h ARG 130 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1cw3 h ARG 130 CO -0.00 0.41 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.33 1cw3 h TYR 131 N 0.32 -0.16 0.00 3.04 3.20 -0.98 -3.07 116.97 119.32 1cw3 h TYR 131 Ca 0.07 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1cw3 h TYR 131 Cb 0.32 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1cw3 h TYR 131 CO 0.01 0.15 -0.10 1.88 -1.64 0.00 0.00 178.16 178.46 1cw3 h TYR 132 N -0.48 0.00 -0.17 -3.82 -1.99 -1.03 -1.91 116.97 107.57 1cw3 h TYR 132 Ca -0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1cw3 h TYR 132 Cb 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1cw3 h TYR 132 CO 0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 178.16 178.27 1cw3 h ALA 133 N 1.90 1.66 0.00 3.88 0.00 -0.99 -1.51 119.26 124.19 1cw3 h ALA 133 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1cw3 h ALA 133 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cw3 h ALA 133 CO 0.01 0.26 -0.44 0.78 0.00 0.00 0.00 179.25 179.86 1cw3 h GLY 134 N 0.54 0.00 1.87 0.00 0.00 -1.30 -3.07 103.07 101.11 1cw3 h GLY 134 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1cw3 h GLY 134 CO 0.01 0.00 -0.08 0.79 0.00 0.00 0.00 176.54 177.25 1cw3 n TRP 135 N -3.72 0.47 -0.33 5.60 7.02 -0.58 -4.28 117.44 121.61 1cw3 n TRP 135 Ca -0.01 0.14 0.01 0.00 -1.02 0.00 0.00 57.50 56.62 1cw3 n TRP 135 Cb 0.51 -0.70 0.07 0.00 -2.42 0.00 0.00 31.31 28.78 1cw3 n TRP 135 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1cw3 h ALA 136 N 2.74 0.34 -0.49 6.99 0.00 -1.42 -2.30 119.26 125.12 1cw3 h ALA 136 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 1cw3 h ALA 136 Cb 0.63 0.83 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 1cw3 h ALA 136 CO 0.00 -0.52 -0.11 -0.40 0.00 0.00 0.00 179.25 178.21 1cw3 n ASP 137 N -5.52 3.38 0.00 0.00 3.85 -1.26 -4.62 116.55 112.38 1cw3 n ASP 137 Ca 0.11 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.40 1cw3 n ASP 137 Cb 0.42 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 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 -1.04 0.93 -2.36 0.11 5.02 -0.87 -4.90 118.16 115.06 1cw3 n LYS 138 Ca 0.38 -0.21 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 1cw3 n LYS 138 Cb 1.00 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.19 4.07 -1.91 2.13 9.36 -1.23 -4.96 117.16 124.42 1cw3 n TYR 139 Ca 0.00 -2.97 -0.38 0.00 3.32 0.00 0.00 57.90 57.86 1cw3 n TYR 139 Cb 0.07 -2.39 0.02 0.00 -0.63 0.00 0.00 39.34 36.41 1cw3 n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1cw3 s HIS 140 N 2.66 2.48 0.00 2.98 3.76 -1.26 -4.83 115.29 121.07 1cw3 s HIS 140 Ca 0.47 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1cw3 s HIS 140 Cb 0.07 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.05 1cw3 s HIS 140 CO 0.00 -2.52 0.00 0.41 -0.85 0.00 0.00 174.74 171.78 1cw3 n GLY 141 N 0.64 0.40 3.07 -2.22 0.00 -1.26 -4.94 105.19 100.88 1cw3 n GLY 141 Ca 0.09 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 0.99 0.49 -0.21 1.61 1.02 -1.21 -4.95 119.74 117.49 1cw3 s LYS 142 Ca 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1cw3 s LYS 142 Cb 0.00 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1cw3 s LYS 142 CO 0.00 -0.11 -0.01 0.95 -0.92 0.00 0.00 175.35 175.26 1cw3 s THR 143 N -2.36 3.80 -0.12 2.17 -4.23 -1.26 -0.18 115.64 113.45 1cw3 s THR 143 Ca -0.07 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1cw3 s THR 143 Cb -0.03 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1cw3 s THR 143 CO -0.04 0.42 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.79 1cw3 s ILE 144 N 1.15 3.88 0.00 2.99 1.01 0.88 -4.97 121.20 126.15 1cw3 s ILE 144 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1cw3 s ILE 144 Cb -0.14 -2.65 -0.16 0.00 0.01 0.00 0.00 42.46 39.51 1cw3 s ILE 144 CO 0.01 0.54 2.46 -2.65 0.00 0.00 0.00 174.94 175.30 1cw3 n PRO 145 N 2.95 1.27 -1.21 2.79 -0.02 -1.26 -3.89 135.00 135.63 1cw3 n PRO 145 Ca -0.18 -0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 60.37 1cw3 n PRO 145 Cb 0.53 -1.75 0.12 0.00 -0.02 0.00 0.00 33.50 32.37 1cw3 n PRO 145 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1cw3 n ILE 146 N 2.54 2.56 -1.33 4.25 3.06 -1.26 -5.00 119.36 124.18 1cw3 n ILE 146 Ca 0.25 -0.26 -0.30 0.00 -2.50 0.00 0.00 62.75 59.95 1cw3 n ILE 146 Cb 0.59 -1.25 0.12 0.00 0.54 0.00 0.00 39.64 39.63 1cw3 n ILE 146 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1cw3 s ASP 147 N -1.99 3.88 0.20 9.51 1.01 -1.26 -4.81 116.67 123.21 1cw3 s ASP 147 Ca 0.75 1.44 0.00 0.00 0.71 0.00 0.00 52.55 55.45 1cw3 s ASP 147 Cb -0.31 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1cw3 s ASP 147 CO 0.49 -2.37 0.00 0.61 0.21 0.00 0.00 175.17 174.10 1cw3 n GLY 148 N -1.47 -1.70 3.02 0.21 0.00 -1.26 -4.43 105.19 99.56 1cw3 n GLY 148 Ca 0.07 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.90 4.07 -3.99 1.61 8.00 -1.26 -4.74 116.55 117.33 1cw3 n ASP 149 Ca 0.00 -2.85 -0.08 0.00 0.71 0.00 0.00 54.79 52.57 1cw3 n ASP 149 Cb 0.37 -1.65 -0.09 0.00 -0.02 0.00 0.00 41.12 39.73 1cw3 n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cw3 s PHE 150 N 3.84 0.34 -0.25 1.24 0.40 -1.26 -1.83 117.98 120.46 1cw3 s PHE 150 Ca 0.50 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1cw3 s PHE 150 Cb 0.11 -0.24 0.04 0.00 0.51 0.00 0.00 43.02 43.44 1cw3 s PHE 150 CO -0.02 -0.41 -0.08 0.12 0.70 0.00 0.00 175.22 175.53 1cw3 s PHE 151 N -3.46 3.13 -0.04 0.36 5.36 0.11 -4.81 117.98 118.64 1cw3 s PHE 151 Ca 0.02 -1.87 0.07 0.00 -0.96 0.00 0.00 56.93 54.19 1cw3 s PHE 151 Cb 0.04 -2.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1cw3 s PHE 151 CO -0.08 -0.80 -0.24 0.45 -1.46 0.00 0.00 175.22 173.08 1cw3 s SER 152 N 1.24 3.18 0.26 6.13 0.15 -1.25 -0.50 113.70 122.90 1cw3 s SER 152 Ca -0.03 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.07 1cw3 s SER 152 Cb -0.18 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.54 1cw3 s SER 152 CO -0.05 0.29 0.45 -0.72 1.20 0.00 0.00 173.24 174.41 1cw3 s TYR 153 N -0.46 0.57 0.04 3.44 -0.85 -0.58 -0.08 117.35 119.44 1cw3 s TYR 153 Ca 0.05 -0.90 0.07 0.00 -0.52 0.00 0.00 57.07 55.77 1cw3 s TYR 153 Cb -0.11 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1cw3 s TYR 153 CO 0.01 -1.00 -0.19 0.95 -1.52 0.00 0.00 175.55 173.80 1cw3 s THR 154 N -3.81 1.54 -0.18 -3.49 -4.23 0.74 -0.73 115.64 105.49 1cw3 s THR 154 Ca 0.26 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1cw3 s THR 154 Cb 0.00 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1cw3 s THR 154 CO 0.11 0.15 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.19 1cw3 s ARG 155 N -1.18 3.61 -1.02 3.99 0.52 0.12 -3.31 118.95 121.68 1cw3 s ARG 155 Ca 0.06 -0.54 -0.15 0.00 -0.52 0.00 0.00 55.73 54.58 1cw3 s ARG 155 Cb -0.09 -2.98 0.18 0.00 0.52 0.00 0.00 34.95 32.59 1cw3 s ARG 155 CO 0.02 0.11 1.15 -1.01 0.02 0.00 0.00 175.30 175.59 1cw3 s HIS 156 N 0.71 3.50 0.61 -0.53 3.76 -1.26 -1.57 115.29 120.52 1cw3 s HIS 156 Ca -0.01 -1.89 -0.07 0.00 -0.15 0.00 0.00 55.06 52.94 1cw3 s HIS 156 Cb -0.14 -4.15 0.01 0.00 1.11 0.00 0.00 32.58 29.40 1cw3 s HIS 156 CO 0.02 -1.30 0.94 -1.21 -0.85 0.00 0.00 174.74 172.34 1cw3 s GLU 157 N 1.39 2.88 0.50 1.40 2.02 -0.64 -4.86 118.70 121.39 1cw3 s GLU 157 Ca 0.33 0.06 -0.20 0.00 0.02 0.00 0.00 54.97 55.19 1cw3 s GLU 157 Cb -0.06 -2.23 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1cw3 s GLU 157 CO -0.06 -0.78 1.04 -2.14 0.02 0.00 0.00 175.26 173.34 1cw3 s PRO 158 N -5.06 3.75 0.35 0.39 0.02 -1.26 -0.21 135.00 132.98 1cw3 s PRO 158 Ca 0.55 1.32 0.13 0.00 0.02 0.00 0.00 61.00 63.02 1cw3 s PRO 158 Cb -0.11 -2.09 0.65 0.00 0.02 0.00 0.00 34.50 32.97 1cw3 s PRO 158 CO 0.46 -0.47 1.78 -0.24 -0.33 0.00 0.00 177.00 178.20 1cw3 h VAL 159 N 1.40 1.28 0.00 3.83 3.04 -1.77 -3.38 116.25 120.65 1cw3 h VAL 159 Ca -0.49 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 1cw3 h VAL 159 Cb 1.22 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1cw3 h VAL 159 CO 0.59 0.42 0.00 0.61 -1.01 0.00 0.00 177.57 178.17 1cw3 n GLY 160 N -0.28 0.15 3.64 3.17 0.00 -1.26 -4.89 105.19 105.73 1cw3 n GLY 160 Ca -0.02 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.95 4.18 -0.25 1.61 1.01 -1.26 -2.53 120.40 122.21 1cw3 s VAL 161 Ca 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1cw3 s VAL 161 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1cw3 s VAL 161 CO 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 175.10 174.79 1cw3 s GLY 163 N 1.52 2.69 -0.16 0.00 0.00 0.77 -1.49 107.32 110.65 1cw3 s GLY 163 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 1cw3 s GLY 163 CO 0.00 1.04 0.01 1.20 0.00 0.00 0.00 173.10 175.35 1cw3 s GLN 164 N 0.18 0.83 -0.18 2.90 -0.21 -0.28 -1.40 119.66 121.50 1cw3 s GLN 164 Ca 0.36 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 1cw3 s GLN 164 Cb -0.19 -1.79 -0.02 0.00 1.00 0.00 0.00 33.01 32.01 1cw3 s GLN 164 CO 0.20 -0.50 -0.06 0.42 -2.12 0.00 0.00 175.29 173.23 1cw3 s ILE 165 N 1.83 3.51 0.21 1.08 1.01 -0.60 -0.71 121.20 127.52 1cw3 s ILE 165 Ca 0.01 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1cw3 s ILE 165 Cb -0.15 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1cw3 s ILE 165 CO -0.07 0.46 -0.15 0.27 0.00 0.00 0.00 174.94 175.46 1cw3 s ILE 166 N 0.86 1.77 0.00 2.92 -4.36 -1.04 -1.72 121.20 119.64 1cw3 s ILE 166 Ca -0.01 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 1cw3 s ILE 166 Cb -0.15 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1cw3 s ILE 166 CO 0.01 -0.58 0.00 -0.81 0.24 0.00 0.00 174.94 173.80 1cw3 n PRO 167 N -0.36 0.11 -0.00 0.37 -0.04 -1.14 -3.23 135.00 130.71 1cw3 n PRO 167 Ca -0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1cw3 n PRO 167 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.87 0.00 0.09 0.54 4.27 -1.26 -4.37 117.44 114.84 1cw3 n TRP 168 Ca 0.00 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1cw3 n TRP 168 Cb 0.00 -0.04 0.29 0.00 -1.36 0.00 0.00 31.31 30.21 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 0.27 -2.10 -0.67 -1.07 -1.97 -3.33 115.58 106.71 1cw3 h ASN 169 Ca 0.00 -0.08 -0.57 0.00 0.07 0.00 0.00 56.30 55.72 1cw3 h ASN 169 Cb 0.31 -0.07 -0.39 0.00 -2.07 0.00 0.00 38.32 36.10 1cw3 h ASN 169 CO 0.00 0.53 -1.04 0.49 0.07 0.00 0.00 177.43 177.49 1cw3 n PHE 170 N -4.15 -0.11 -0.08 4.14 3.01 -1.26 -5.03 117.46 113.99 1cw3 n PHE 170 Ca -0.01 -3.57 -0.06 0.00 1.01 0.00 0.00 57.45 54.82 1cw3 n PHE 170 Cb 0.37 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 1cw3 n PHE 170 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cw3 h PRO 171 N 4.34 -0.16 -0.43 -1.08 0.11 -1.80 0.87 132.00 133.86 1cw3 h PRO 171 Ca 0.12 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1cw3 h PRO 171 Cb 0.87 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1cw3 h PRO 171 CO 0.48 -0.11 0.17 -0.07 -0.21 0.00 0.00 178.00 178.26 1cw3 h LEU 172 N -0.17 0.59 -0.56 2.35 3.38 -1.95 -2.69 115.31 116.27 1cw3 h LEU 172 Ca 0.04 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1cw3 h LEU 172 Cb 0.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1cw3 h LEU 172 CO -0.29 0.59 0.10 0.25 0.09 0.00 0.00 178.44 179.19 1cw3 h LEU 173 N 0.54 0.88 -1.38 1.67 5.85 -1.81 -1.27 115.31 119.79 1cw3 h LEU 173 Ca 0.14 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1cw3 h LEU 173 Cb 0.19 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1cw3 h LEU 173 CO -0.01 0.90 -0.19 0.24 -0.34 0.00 0.00 178.44 179.04 1cw3 h MET 174 N 0.81 0.18 -0.19 1.25 2.86 -0.82 -0.63 114.93 118.38 1cw3 h MET 174 Ca 0.17 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1cw3 h MET 174 Cb 0.39 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1cw3 h MET 174 CO 0.01 0.37 -0.12 0.37 1.06 0.00 0.00 176.91 178.60 1cw3 h GLN 175 N 0.16 0.42 -0.09 1.72 4.15 -1.11 -3.00 115.11 117.36 1cw3 h GLN 175 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1cw3 h GLN 175 Cb 0.44 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1cw3 h GLN 175 CO 0.03 0.73 0.04 0.00 -1.93 0.00 0.00 178.83 177.70 1cw3 h ALA 176 N 0.68 0.10 -0.27 3.38 0.00 -0.78 0.06 119.26 122.44 1cw3 h ALA 176 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1cw3 h ALA 176 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cw3 h ALA 176 CO 0.03 -0.42 0.29 -1.49 0.00 0.00 0.00 179.25 177.67 1cw3 h TRP 177 N 0.10 0.00 0.05 0.00 4.06 -1.12 0.48 115.95 119.51 1cw3 h TRP 177 Ca 0.04 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.65 1cw3 h TRP 177 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 1cw3 h TRP 177 CO -0.09 0.00 -1.89 1.63 -3.56 0.00 0.00 178.44 174.53 1cw3 n LYS 178 N -3.78 0.66 0.01 0.49 4.76 -0.90 -4.44 118.16 114.96 1cw3 n LYS 178 Ca 0.04 0.35 -0.10 0.00 -2.87 0.00 0.00 58.31 55.73 1cw3 n LYS 178 Cb 0.44 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 32.01 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 -0.43 0.61 0.47 -0.35 3.38 -0.60 -3.14 115.31 115.24 1cw3 h LEU 179 Ca -0.46 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1cw3 h LEU 179 Cb 1.72 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 1cw3 h LEU 179 CO -0.10 1.05 -0.49 1.23 0.09 0.00 0.00 178.44 180.22 1cw3 h GLY 180 N 1.07 -1.20 1.14 0.83 0.00 -1.14 -0.65 103.07 103.13 1cw3 h GLY 180 Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 47.33 47.77 1cw3 h GLY 180 CO 0.11 -0.36 -0.24 -0.56 0.00 0.00 0.00 176.54 175.49 1cw3 h PRO 181 N -0.97 0.97 -0.02 4.80 0.13 -1.78 -2.08 132.00 133.05 1cw3 h PRO 181 Ca -0.05 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cw3 h PRO 181 Cb 0.85 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1cw3 h PRO 181 CO -0.08 1.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 1cw3 h ALA 182 N 0.88 0.03 -0.35 -0.56 0.00 -1.57 -2.61 119.26 115.09 1cw3 h ALA 182 Ca 0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1cw3 h ALA 182 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cw3 h ALA 182 CO 0.07 -0.32 -0.26 -0.07 0.00 0.00 0.00 179.25 178.67 1cw3 h LEU 183 N -0.23 0.73 -2.03 0.00 3.38 -1.19 -0.92 115.31 115.04 1cw3 h LEU 183 Ca 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1cw3 h LEU 183 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cw3 h LEU 183 CO 0.00 0.96 -0.02 0.00 0.09 0.00 0.00 178.44 179.47 1cw3 h ALA 184 N 1.09 1.03 -0.46 1.53 0.00 -1.36 -2.13 119.26 118.96 1cw3 h ALA 184 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 184 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1cw3 h ALA 184 CO 0.06 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.58 1cw3 n THR 185 N -3.15 0.72 -1.99 0.00 -2.24 -0.99 -4.20 114.28 102.43 1cw3 n THR 185 Ca -0.01 -0.86 -0.03 0.00 -2.27 0.00 0.00 64.05 60.87 1cw3 n THR 185 Cb 0.22 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.28 0.26 3.99 3.38 0.00 -0.80 -4.13 105.19 109.17 1cw3 n GLY 186 Ca 0.18 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.85 5.24 0.05 1.61 0.01 -0.38 -4.76 114.94 113.86 1cw3 s ASN 187 Ca 0.00 -0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.03 1cw3 s ASN 187 Cb 0.00 -0.65 -0.03 0.00 0.41 0.00 0.00 41.25 40.98 1cw3 s ASN 187 CO 0.00 -1.15 -0.20 0.68 -1.51 0.00 0.00 177.10 174.91 1cw3 s VAL 188 N -2.71 2.63 0.14 1.60 -7.23 -1.05 -4.60 120.40 109.17 1cw3 s VAL 188 Ca 0.58 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 59.55 1cw3 s VAL 188 Cb -0.09 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1cw3 s VAL 188 CO 0.38 0.32 -0.16 0.68 -0.31 0.00 0.00 175.10 176.02 1cw3 s VAL 189 N -0.91 1.51 -0.26 1.32 -7.23 0.13 -0.44 120.40 114.51 1cw3 s VAL 189 Ca 0.14 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1cw3 s VAL 189 Cb -0.10 -1.64 0.08 0.00 0.56 0.00 0.00 36.38 35.27 1cw3 s VAL 189 CO 0.05 -0.37 0.04 -0.69 -0.31 0.00 0.00 175.10 173.81 1cw3 s VAL 190 N -2.09 1.01 -0.14 1.32 1.01 -0.56 -0.93 120.40 120.02 1cw3 s VAL 190 Ca 0.11 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 1cw3 s VAL 190 Cb -0.05 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1cw3 s VAL 190 CO 0.04 -0.38 0.05 -0.32 0.00 0.00 0.00 175.10 174.49 1cw3 s MET 191 N 1.60 3.56 -0.37 2.72 1.75 0.12 -1.13 119.30 127.54 1cw3 s MET 191 Ca 0.03 -0.33 -0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1cw3 s MET 191 Cb -0.18 -3.06 0.08 0.00 2.84 0.00 0.00 34.83 34.51 1cw3 s MET 191 CO -0.14 0.50 0.14 0.21 -0.65 0.00 0.00 175.02 175.09 1cw3 s LYS 192 N -0.29 2.26 0.43 4.11 2.36 0.11 -0.31 119.74 128.41 1cw3 s LYS 192 Ca 0.08 -1.56 -0.11 0.00 -2.55 0.00 0.00 55.97 51.84 1cw3 s LYS 192 Cb -0.12 -3.48 -0.06 0.00 -1.05 0.00 0.00 37.83 33.11 1cw3 s LYS 192 CO 0.02 -0.89 0.80 0.14 1.55 0.00 0.00 175.35 176.97 1cw3 s VAL 193 N 1.23 4.77 0.25 4.02 -7.23 -1.25 -2.49 120.40 119.71 1cw3 s VAL 193 Ca 0.03 0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 60.54 1cw3 s VAL 193 Cb -0.22 -3.75 -0.11 0.00 0.56 0.00 0.00 36.38 32.86 1cw3 s VAL 193 CO -0.02 -0.60 1.58 0.00 -0.31 0.00 0.00 175.10 175.75 1cw3 s ALA 194 N -2.47 3.76 0.55 1.32 0.00 -1.20 -4.28 121.76 119.43 1cw3 s ALA 194 Ca 0.52 1.49 0.24 0.00 0.00 0.00 0.00 51.96 54.20 1cw3 s ALA 194 Cb -0.10 -3.63 1.55 0.00 0.00 0.00 0.00 23.12 20.93 1cw3 s ALA 194 CO 0.34 -0.89 2.19 1.05 0.00 0.00 0.00 175.76 178.45 1cw3 h GLU 195 N 5.49 0.00 -0.14 0.00 9.09 -1.92 -1.95 114.58 125.15 1cw3 h GLU 195 Ca -0.45 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 58.80 1cw3 h GLU 195 Cb 1.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.31 1cw3 h GLU 195 CO 0.83 0.02 -0.56 1.96 0.05 0.00 0.00 179.01 181.31 1cw3 h GLN 196 N 0.00 0.43 -2.25 1.06 7.50 -1.91 -3.39 115.11 116.55 1cw3 h GLN 196 Ca -0.00 -0.28 -0.58 0.00 0.50 0.00 0.00 58.65 58.29 1cw3 h GLN 196 Cb 0.04 0.03 -0.39 0.00 0.05 0.00 0.00 27.48 27.22 1cw3 h GLN 196 CO 0.00 0.88 -1.00 0.25 -1.50 0.00 0.00 178.83 177.46 1cw3 n THR 197 N -3.93 -0.82 0.02 -0.54 -2.24 -0.76 -4.70 114.28 101.32 1cw3 n THR 197 Ca -0.03 -3.75 0.08 0.00 -2.27 0.00 0.00 64.05 58.09 1cw3 n THR 197 Cb 0.60 -1.80 -0.11 0.00 -2.10 0.00 0.00 70.33 66.92 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 2.23 0.64 0.04 -0.78 -0.04 -1.07 -4.44 135.00 131.58 1cw3 n PRO 198 Ca 0.26 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1cw3 n PRO 198 Cb 0.49 -1.64 -0.05 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 -0.75 -0.96 1.53 3.38 -1.90 -2.64 115.31 113.97 1cw3 h LEU 199 Ca -0.07 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1cw3 h LEU 199 Cb 1.17 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 42.12 1cw3 h LEU 199 CO 0.01 -0.25 0.58 0.71 0.09 0.00 0.00 178.44 179.58 1cw3 h THR 200 N -0.34 0.88 -0.15 0.22 1.35 -1.86 -1.06 112.91 111.95 1cw3 h THR 200 Ca -0.00 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 1cw3 h THR 200 Cb 0.35 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 1cw3 h THR 200 CO -0.14 0.17 -0.14 0.00 -0.25 0.00 0.00 175.52 175.15 1cw3 h ALA 201 N 1.53 1.48 -0.05 6.62 0.00 -1.84 -1.60 119.26 125.41 1cw3 h ALA 201 Ca 0.48 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1cw3 h ALA 201 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cw3 h ALA 201 CO -0.28 0.37 -0.72 -0.07 0.00 0.00 0.00 179.25 178.55 1cw3 h LEU 202 N 0.23 0.32 -0.46 0.00 3.38 -0.84 -2.93 115.31 115.01 1cw3 h LEU 202 Ca 0.05 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1cw3 h LEU 202 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1cw3 h LEU 202 CO 0.02 0.93 -0.62 0.22 0.09 0.00 0.00 178.44 179.08 1cw3 h TYR 203 N 0.18 0.66 0.00 1.13 3.20 -0.73 -2.77 116.97 118.64 1cw3 h TYR 203 Ca -0.02 -0.26 -0.04 0.00 3.14 0.00 0.00 58.73 61.55 1cw3 h TYR 203 Cb 1.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1cw3 h TYR 203 CO 0.03 1.00 -0.20 0.28 -1.64 0.00 0.00 178.16 177.64 1cw3 h VAL 204 N 0.38 0.88 -0.29 1.81 2.07 -1.29 -1.08 116.25 118.73 1cw3 h VAL 204 Ca -0.01 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1cw3 h VAL 204 Cb 1.18 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1cw3 h VAL 204 CO 0.11 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.86 1cw3 h ALA 205 N 1.80 1.40 -0.33 1.67 0.00 -1.30 0.12 119.26 122.63 1cw3 h ALA 205 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1cw3 h ALA 205 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cw3 h ALA 205 CO 0.03 0.42 0.09 -0.97 0.00 0.00 0.00 179.25 178.81 1cw3 h ASN 206 N 0.43 0.49 -0.21 0.00 -1.24 -1.17 -2.58 115.58 111.30 1cw3 h ASN 206 Ca 0.09 -0.22 -0.07 0.00 0.71 0.00 0.00 56.30 56.82 1cw3 h ASN 206 Cb 0.34 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1cw3 h ASN 206 CO 0.01 0.58 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.60 1cw3 h LEU 207 N 0.38 0.54 -0.51 0.34 3.38 -1.05 -1.90 115.31 116.48 1cw3 h LEU 207 Ca 0.11 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1cw3 h LEU 207 Cb 0.27 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1cw3 h LEU 207 CO -0.00 0.65 0.25 0.40 0.09 0.00 0.00 178.44 179.83 1cw3 h ILE 208 N 0.52 0.95 -0.32 1.22 2.04 -0.42 0.45 117.51 121.95 1cw3 h ILE 208 Ca 0.10 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1cw3 h ILE 208 Cb 0.44 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1cw3 h ILE 208 CO 0.02 0.09 0.05 0.50 0.00 0.00 0.00 178.15 178.81 1cw3 h LYS 209 N 0.49 0.53 -0.42 2.37 3.64 -1.10 -2.79 116.57 119.29 1cw3 h LYS 209 Ca 0.23 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1cw3 h LYS 209 Cb 0.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1cw3 h LYS 209 CO -0.16 0.62 0.18 1.49 -2.27 0.00 0.00 179.45 179.31 1cw3 h GLU 210 N 0.36 0.58 0.00 1.90 4.81 -0.68 -1.91 114.58 119.64 1cw3 h GLU 210 Ca 0.10 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1cw3 h GLU 210 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1cw3 h GLU 210 CO 0.01 0.48 -0.25 0.00 -0.73 0.00 0.00 179.01 178.52 1cw3 h ALA 211 N 1.61 1.39 0.00 2.92 0.00 0.13 -3.47 119.26 121.85 1cw3 h ALA 211 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cw3 h ALA 211 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cw3 h ALA 211 CO -0.02 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1cw3 n GLY 212 N -0.60 1.37 3.74 0.00 0.00 -0.72 -4.87 105.19 104.12 1cw3 n GLY 212 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1cw3 n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 213 N -2.00 3.35 0.62 1.61 0.40 -1.12 -4.97 117.98 115.86 1cw3 s PHE 213 Ca 0.00 1.36 -0.18 0.00 -0.60 0.00 0.00 56.93 57.51 1cw3 s PHE 213 Cb 0.00 -3.50 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 1cw3 s PHE 213 CO 0.00 -1.47 1.07 -2.30 0.70 0.00 0.00 175.22 173.22 1cw3 n PRO 214 N 2.39 0.98 -1.77 0.24 -0.02 -1.26 -4.76 135.00 130.80 1cw3 n PRO 214 Ca 0.04 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1cw3 n PRO 214 Cb 0.44 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.28 2.50 -0.08 0.52 -0.02 -1.26 -2.58 135.00 132.80 1cw3 n PRO 215 Ca 0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1cw3 n PRO 215 Cb 0.47 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1cw3 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cw3 n GLY 216 N 0.51 2.14 0.15 -1.23 0.00 -1.26 -4.67 105.19 100.83 1cw3 n GLY 216 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1cw3 n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cw3 h VAL 217 N 0.00 1.34 -3.36 1.61 2.07 -1.80 -3.29 116.25 112.82 1cw3 h VAL 217 Ca 0.00 -1.33 -0.59 0.00 0.82 0.00 0.00 66.70 65.61 1cw3 h VAL 217 Cb 0.00 1.81 -0.37 0.00 -1.52 0.00 0.00 31.29 31.21 1cw3 h VAL 217 CO 0.00 0.40 -0.80 -0.69 0.02 0.00 0.00 177.57 176.49 1cw3 s VAL 218 N -4.32 1.40 -0.09 2.57 1.01 -1.26 0.18 120.40 119.88 1cw3 s VAL 218 Ca -0.14 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1cw3 s VAL 218 Cb 0.06 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1cw3 s VAL 218 CO 0.77 0.18 -0.21 0.20 0.00 0.00 0.00 175.10 176.03 1cw3 s ASN 219 N 1.51 3.34 -0.19 3.32 0.01 -0.11 -4.71 114.94 118.11 1cw3 s ASN 219 Ca 0.00 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1cw3 s ASN 219 Cb -0.15 -1.23 0.02 0.00 0.41 0.00 0.00 41.25 40.29 1cw3 s ASN 219 CO -0.08 0.20 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.91 1cw3 s ILE 220 N 0.11 2.31 -0.45 0.60 1.01 0.19 -0.70 121.20 124.27 1cw3 s ILE 220 Ca -0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1cw3 s ILE 220 Cb -0.16 -2.01 0.12 0.00 0.01 0.00 0.00 42.46 40.43 1cw3 s ILE 220 CO 0.06 0.50 0.29 -0.69 0.00 0.00 0.00 174.94 175.10 1cw3 s VAL 221 N 1.32 3.79 0.47 2.92 1.01 0.58 -0.96 120.40 129.53 1cw3 s VAL 221 Ca 0.05 -1.97 -0.19 0.00 0.00 0.00 0.00 61.98 59.87 1cw3 s VAL 221 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1cw3 s VAL 221 CO -0.11 -0.75 0.97 -2.16 0.00 0.00 0.00 175.10 173.06 1cw3 s PRO 222 N 1.19 4.06 0.00 2.72 0.04 -1.26 -3.77 135.00 137.98 1cw3 s PRO 222 Ca 0.07 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1cw3 s PRO 222 Cb -0.24 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1cw3 s PRO 222 CO -0.03 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1cw3 n GLY 223 N -1.04 -0.49 3.98 0.56 0.00 -1.26 -0.79 105.19 106.15 1cw3 n GLY 223 Ca 0.07 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.10 3.02 -0.01 1.61 0.40 -1.26 -3.72 117.98 114.92 1cw3 s PHE 224 Ca 0.00 -0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1cw3 s PHE 224 Cb 0.00 -2.31 -0.09 0.00 0.51 0.00 0.00 43.02 41.13 1cw3 s PHE 224 CO 0.00 -0.36 0.79 0.78 0.70 0.00 0.00 175.22 177.12 1cw3 h GLY 225 N 0.55 -0.61 1.86 4.36 0.00 -1.95 -1.68 103.07 105.59 1cw3 h GLY 225 Ca -0.44 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1cw3 h GLY 225 CO 0.52 -0.22 0.06 -2.55 0.00 0.00 0.00 176.54 174.35 1cw3 h PRO 226 N -0.95 0.00 0.00 4.80 0.11 -1.98 -0.02 132.00 133.96 1cw3 h PRO 226 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1cw3 h PRO 226 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1cw3 h PRO 226 CO 0.10 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.14 1cw3 n THR 227 N -2.62 0.00 -0.09 -1.15 -2.24 -1.24 -4.32 114.28 102.61 1cw3 n THR 227 Ca -0.02 0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1cw3 n THR 227 Cb 0.11 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.38 0.36 6.98 0.00 -1.43 -2.50 119.26 121.06 1cw3 h ALA 228 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1cw3 h ALA 228 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cw3 h ALA 228 CO 0.00 0.20 -0.17 0.78 0.00 0.00 0.00 179.25 180.06 1cw3 h GLY 229 N 0.29 -0.51 2.00 0.00 0.00 -0.79 -2.38 103.07 101.68 1cw3 h GLY 229 Ca 0.07 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1cw3 h GLY 229 CO 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 176.54 176.28 1cw3 h ALA 230 N 0.14 1.70 -0.47 3.60 0.00 -1.22 -1.26 119.26 121.75 1cw3 h ALA 230 Ca -0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1cw3 h ALA 230 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cw3 h ALA 230 CO 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.45 1cw3 h ALA 231 N 1.90 0.64 0.26 0.00 0.00 -1.15 -0.86 119.26 120.04 1cw3 h ALA 231 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cw3 h ALA 231 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cw3 h ALA 231 CO 0.01 0.45 -0.12 0.82 0.00 0.00 0.00 179.25 180.41 1cw3 h ILE 232 N 0.69 0.79 0.00 0.00 2.04 -0.80 -1.09 117.51 119.14 1cw3 h ILE 232 Ca 0.13 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1cw3 h ILE 232 Cb 0.52 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1cw3 h ILE 232 CO 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 178.27 1cw3 h ALA 233 N -0.02 1.81 -0.02 1.87 0.00 -1.27 -2.41 119.26 119.23 1cw3 h ALA 233 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 233 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cw3 h ALA 233 CO 0.06 0.03 -0.29 0.43 0.00 0.00 0.00 179.25 179.48 1cw3 n SER 234 N -4.30 2.33 -4.72 0.00 7.64 -0.33 -3.70 113.62 110.54 1cw3 n SER 234 Ca -0.03 -1.67 -0.42 0.00 1.01 0.00 0.00 58.87 57.76 1cw3 n SER 234 Cb 0.11 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 -2.30 2.98 -1.30 1.43 5.04 -0.42 -4.76 115.29 115.97 1cw3 s HIS 235 Ca 0.22 0.60 0.19 0.00 -1.54 0.00 0.00 55.06 54.54 1cw3 s HIS 235 Cb 0.19 -3.99 0.92 0.00 0.04 0.00 0.00 32.58 29.74 1cw3 s HIS 235 CO 0.47 -3.62 1.60 0.39 -2.34 0.00 0.00 174.74 171.24 1cw3 n GLU 236 N 3.63 0.19 0.00 2.88 -0.58 -1.26 -3.08 120.64 122.41 1cw3 n GLU 236 Ca 0.13 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1cw3 n GLU 236 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.62 -4.62 1.62 2.03 -1.26 -4.85 116.55 109.73 1cw3 n ASP 237 Ca 0.08 -1.67 -0.40 0.00 0.52 0.00 0.00 54.79 53.32 1cw3 n ASP 237 Cb 0.17 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.67 5.02 0.08 5.18 1.01 -1.18 -4.75 120.40 125.09 1cw3 s VAL 238 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.12 1cw3 s VAL 238 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 1cw3 s VAL 238 CO 0.00 0.05 1.44 0.44 0.00 0.00 0.00 175.10 177.02 1cw3 h ASP 239 N 7.95 0.00 -4.73 3.32 3.32 -1.39 -3.43 116.42 121.47 1cw3 h ASP 239 Ca -0.28 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 1cw3 h ASP 239 Cb 1.13 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 1cw3 h ASP 239 CO 0.75 0.72 -0.10 -0.75 -1.72 0.00 0.00 179.24 178.14 1cw3 s LYS 240 N -3.05 0.76 -0.02 3.56 2.36 -1.01 -1.82 119.74 120.52 1cw3 s LYS 240 Ca 0.01 0.16 0.05 0.00 -2.55 0.00 0.00 55.97 53.64 1cw3 s LYS 240 Cb 0.10 0.35 -0.01 0.00 -1.05 0.00 0.00 37.83 37.22 1cw3 s LYS 240 CO 0.77 -0.20 -0.15 0.08 1.55 0.00 0.00 175.35 177.40 1cw3 s VAL 241 N -0.90 1.22 -0.15 4.02 1.01 0.44 -0.17 120.40 125.87 1cw3 s VAL 241 Ca -0.09 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1cw3 s VAL 241 Cb -0.03 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1cw3 s VAL 241 CO 0.05 0.35 -0.07 0.00 0.00 0.00 0.00 175.10 175.42 1cw3 s ALA 242 N -0.30 1.52 0.02 5.51 0.00 -0.49 -2.44 121.76 125.57 1cw3 s ALA 242 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1cw3 s ALA 242 Cb -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1cw3 s ALA 242 CO -0.00 -0.62 -0.25 0.12 0.00 0.00 0.00 175.76 175.01 1cw3 s PHE 243 N 1.62 2.37 -0.14 0.00 5.36 -0.87 -1.56 117.98 124.76 1cw3 s PHE 243 Ca 0.02 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.58 1cw3 s PHE 243 Cb -0.14 -1.44 0.05 0.00 -0.34 0.00 0.00 43.02 41.14 1cw3 s PHE 243 CO -0.08 0.09 0.03 0.99 -1.46 0.00 0.00 175.22 174.79 1cw3 s THR 244 N -0.75 0.32 -0.74 0.12 2.01 -0.70 -0.48 115.64 115.42 1cw3 s THR 244 Ca 0.11 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1cw3 s THR 244 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1cw3 s THR 244 CO 0.01 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1cw3 n GLY 245 N 5.14 -0.81 3.78 4.40 0.00 -0.63 -2.90 105.19 114.18 1cw3 n GLY 245 Ca -0.08 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 6.52 0.34 1.61 1.04 -1.26 -3.15 113.70 114.80 1cw3 s SER 246 Ca 0.00 2.17 0.05 0.00 0.48 0.00 0.00 55.95 58.65 1cw3 s SER 246 Cb 0.00 -2.59 0.70 0.00 0.10 0.00 0.00 66.02 64.23 1cw3 s SER 246 CO 0.00 -0.67 1.90 0.74 0.98 0.00 0.00 173.24 176.19 1cw3 h THR 247 N 2.09 0.95 -0.09 2.02 2.02 -1.91 -0.92 112.91 117.06 1cw3 h THR 247 Ca -0.49 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1cw3 h THR 247 Cb 1.23 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1cw3 h THR 247 CO 0.62 0.15 -0.08 -0.08 0.37 0.00 0.00 175.52 176.49 1cw3 h GLU 248 N 0.82 -0.10 0.00 6.66 4.81 -1.95 -1.69 114.58 123.13 1cw3 h GLU 248 Ca 0.40 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.55 1cw3 h GLU 248 Cb 0.44 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1cw3 h GLU 248 CO -0.17 -0.06 -0.41 0.82 -0.73 0.00 0.00 179.01 178.46 1cw3 h ILE 249 N -0.10 1.01 -0.83 2.32 1.08 -1.80 -3.01 117.51 116.18 1cw3 h ILE 249 Ca 0.07 -1.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.02 1cw3 h ILE 249 Cb 0.19 1.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 1cw3 h ILE 249 CO -0.15 0.40 0.54 1.23 -0.69 0.00 0.00 178.15 179.48 1cw3 h GLY 250 N 1.90 1.17 1.45 5.37 0.00 -0.27 0.36 103.07 113.04 1cw3 h GLY 250 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 1cw3 h GLY 250 CO 0.05 0.28 -0.54 3.21 0.00 0.00 0.00 176.54 179.55 1cw3 h ARG 251 N 0.93 0.58 -0.55 4.80 3.08 -1.31 -2.17 114.38 119.75 1cw3 h ARG 251 Ca 0.35 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1cw3 h ARG 251 Cb 0.19 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1cw3 h ARG 251 CO -0.12 0.97 0.17 0.28 -1.07 0.00 0.00 179.97 180.20 1cw3 h VAL 252 N 0.45 1.24 -0.14 2.04 2.07 -1.07 -1.94 116.25 118.90 1cw3 h VAL 252 Ca 0.01 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1cw3 h VAL 252 Cb 1.08 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1cw3 h VAL 252 CO 0.10 0.30 0.08 0.40 0.02 0.00 0.00 177.57 178.47 1cw3 h ILE 253 N 0.76 1.09 -0.56 4.57 1.08 -0.86 -0.91 117.51 122.68 1cw3 h ILE 253 Ca 0.18 -0.24 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 1cw3 h ILE 253 Cb 0.28 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1cw3 h ILE 253 CO -0.01 0.08 0.06 -0.61 -0.69 0.00 0.00 178.15 176.99 1cw3 h GLN 254 N 0.13 0.92 -0.56 2.37 4.15 -1.33 -1.77 115.11 119.03 1cw3 h GLN 254 Ca 0.05 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 1cw3 h GLN 254 Cb 0.06 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1cw3 h GLN 254 CO -0.01 0.87 0.20 0.28 -1.93 0.00 0.00 178.83 178.25 1cw3 h VAL 255 N 0.87 1.23 -0.75 2.39 2.07 -1.17 -1.66 116.25 119.23 1cw3 h VAL 255 Ca 0.17 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1cw3 h VAL 255 Cb 0.42 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1cw3 h VAL 255 CO 0.01 0.28 0.45 0.00 0.02 0.00 0.00 177.57 178.33 1cw3 h ALA 256 N 1.06 0.95 -0.52 1.67 0.00 -0.81 0.38 119.26 121.99 1cw3 h ALA 256 Ca 0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 256 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1cw3 h ALA 256 CO -0.01 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.78 1cw3 h ALA 257 N 1.24 0.69 -0.32 0.00 0.00 -1.12 -0.83 119.26 118.91 1cw3 h ALA 257 Ca 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1cw3 h ALA 257 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1cw3 h ALA 257 CO -0.05 0.39 -0.23 0.78 0.00 0.00 0.00 179.25 180.14 1cw3 h GLY 258 N 0.73 0.66 1.81 0.00 0.00 -0.95 -0.75 103.07 104.56 1cw3 h GLY 258 Ca 0.16 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1cw3 h GLY 258 CO 0.00 0.50 -0.71 1.76 0.00 0.00 0.00 176.54 178.09 1cw3 h SER 259 N 0.54 0.23 0.00 0.19 0.02 -0.73 -3.42 113.55 110.38 1cw3 h SER 259 Ca 0.08 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1cw3 h SER 259 Cb 0.69 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1cw3 h SER 259 CO 0.05 0.86 0.00 -1.54 -1.14 0.00 0.00 176.83 175.06 1cw3 n SER 260 N -3.78 0.00 -1.81 3.07 3.41 -0.34 -4.92 113.62 109.25 1cw3 n SER 260 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1cw3 n SER 260 Cb 0.69 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 65.03 1cw3 n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1cw3 n ASN 261 N 0.00 5.46 -3.56 4.04 6.94 -1.24 -4.93 115.26 121.97 1cw3 n ASN 261 Ca 0.00 -2.79 -0.24 0.00 -0.02 0.00 0.00 54.58 51.53 1cw3 n ASN 261 Cb 0.00 -0.66 0.07 0.00 -2.36 0.00 0.00 39.78 36.83 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 0.78 -3.23 -4.76 -4.53 4.77 -0.30 -4.95 117.00 104.78 1cw3 n LEU 262 Ca 0.27 -0.53 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 1cw3 n LEU 262 Cb 1.11 -2.98 0.02 0.00 -2.33 0.00 0.00 43.42 39.24 1cw3 n LEU 262 CO 0.30 0.59 0.90 -1.59 -1.33 0.00 0.00 177.39 176.26 1cw3 s LYS 263 N -6.27 3.44 0.35 3.23 -2.85 -1.25 -4.96 119.74 111.43 1cw3 s LYS 263 Ca 0.56 1.99 -0.28 0.00 -1.00 0.00 0.00 55.97 57.24 1cw3 s LYS 263 Cb -0.25 -2.32 -0.10 0.00 -2.06 0.00 0.00 37.83 33.09 1cw3 s LYS 263 CO 0.70 -0.88 1.37 1.03 0.10 0.00 0.00 175.35 177.67 1cw3 s ARG 264 N -2.82 4.24 -0.01 1.78 3.00 -0.76 -4.80 118.95 119.59 1cw3 s ARG 264 Ca 0.68 2.35 0.03 0.00 0.00 0.00 0.00 55.73 58.79 1cw3 s ARG 264 Cb -0.34 -3.02 -0.01 0.00 0.00 0.00 0.00 34.95 31.59 1cw3 s ARG 264 CO 0.41 -0.33 -0.11 0.08 0.00 0.00 0.00 175.30 175.34 1cw3 s VAL 265 N -1.14 0.86 0.02 3.52 1.01 -1.26 -0.42 120.40 122.99 1cw3 s VAL 265 Ca 0.51 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1cw3 s VAL 265 Cb -0.42 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1cw3 s VAL 265 CO 0.57 0.25 -0.08 0.42 0.00 0.00 0.00 175.10 176.26 1cw3 s THR 266 N -0.20 0.58 -0.01 3.92 -4.23 -1.02 -4.94 115.64 109.74 1cw3 s THR 266 Ca 0.03 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1cw3 s THR 266 Cb -0.05 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1cw3 s THR 266 CO -0.00 -0.06 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.21 1cw3 s LEU 267 N -0.77 1.83 -0.49 4.79 1.43 -0.61 -2.05 118.68 122.81 1cw3 s LEU 267 Ca -0.02 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1cw3 s LEU 267 Cb -0.06 -0.29 0.13 0.00 0.03 0.00 0.00 46.19 46.00 1cw3 s LEU 267 CO 0.00 0.03 0.23 -1.61 0.23 0.00 0.00 176.35 175.24 1cw3 s GLU 268 N 0.13 1.79 0.00 1.70 0.41 0.37 -1.28 118.70 121.82 1cw3 s GLU 268 Ca -0.01 -2.43 0.00 0.00 -0.41 0.00 0.00 54.97 52.12 1cw3 s GLU 268 Cb -0.05 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1cw3 s GLU 268 CO -0.00 -1.10 0.00 1.28 -0.49 0.00 0.00 175.26 174.95 1cw3 n LEU 269 N 3.31 0.00 0.00 1.80 4.77 0.30 -1.60 117.00 125.58 1cw3 n LEU 269 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1cw3 n LEU 269 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1cw3 n LEU 269 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1cw3 n GLY 270 N 5.00 0.82 3.66 -0.72 0.00 -1.19 -4.78 105.19 107.99 1cw3 n GLY 270 Ca 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 1cw3 n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 271 N 5.00 0.80 2.40 -0.02 0.00 -1.19 -4.35 105.19 107.82 1cw3 n GLY 271 Ca 0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1cw3 n GLY 271 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cw3 n LYS 272 N -0.62 0.94 -1.81 1.61 3.00 -1.26 -4.50 118.16 115.52 1cw3 n LYS 272 Ca -0.05 -2.79 -0.42 0.00 -0.00 0.00 0.00 58.31 55.06 1cw3 n LYS 272 Cb 0.56 -1.42 -0.03 0.00 0.00 0.00 0.00 35.03 34.15 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 -1.87 6.46 0.05 3.14 0.01 -1.21 -4.67 113.70 115.61 1cw3 s SER 273 Ca 0.33 2.79 -0.24 0.00 1.31 0.00 0.00 55.95 60.14 1cw3 s SER 273 Cb 0.30 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.87 1cw3 s SER 273 CO -0.09 -0.91 0.72 -2.16 0.41 0.00 0.00 173.24 171.22 1cw3 s PRO 274 N 0.89 4.45 -0.37 12.44 0.04 -1.26 -1.79 135.00 149.40 1cw3 s PRO 274 Ca 0.71 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1cw3 s PRO 274 Cb -0.47 -3.34 0.09 0.00 0.04 0.00 0.00 34.50 30.82 1cw3 s PRO 274 CO 0.34 0.36 0.12 1.21 0.04 0.00 0.00 177.00 179.07 1cw3 s ASN 275 N -0.28 5.06 -0.24 6.66 3.04 0.27 -1.30 114.94 128.15 1cw3 s ASN 275 Ca 0.36 -1.90 -0.20 0.00 0.04 0.00 0.00 52.86 51.17 1cw3 s ASN 275 Cb -0.20 -1.76 -0.02 0.00 -1.54 0.00 0.00 41.25 37.73 1cw3 s ASN 275 CO 0.22 -0.45 0.61 -0.63 -3.04 0.00 0.00 177.10 173.81 1cw3 s ILE 276 N 1.11 5.01 -0.36 -5.21 1.01 0.37 -0.85 121.20 122.28 1cw3 s ILE 276 Ca 0.06 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 1cw3 s ILE 276 Cb -0.21 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.41 1cw3 s ILE 276 CO -0.04 0.06 0.11 -0.63 0.00 0.00 0.00 174.94 174.43 1cw3 s ILE 277 N 2.34 3.31 0.69 2.92 -1.09 0.44 -0.70 121.20 129.11 1cw3 s ILE 277 Ca 0.26 -1.60 -0.11 0.00 -2.23 0.00 0.00 60.65 56.97 1cw3 s ILE 277 Cb -0.16 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1cw3 s ILE 277 CO 0.09 -0.37 1.07 -0.04 -1.23 0.00 0.00 174.94 174.46 1cw3 s MET 278 N 1.24 2.89 0.51 2.79 -1.94 -0.74 -2.01 119.30 122.05 1cw3 s MET 278 Ca 0.01 0.41 0.24 0.00 -1.71 0.00 0.00 55.69 54.64 1cw3 s MET 278 Cb -0.21 -2.06 1.39 0.00 2.01 0.00 0.00 34.83 35.97 1cw3 s MET 278 CO -0.01 -0.98 2.08 0.66 -0.01 0.00 0.00 175.02 176.76 1cw3 h SER 279 N -0.58 0.00 -0.27 3.03 4.64 -1.89 -2.58 113.55 115.90 1cw3 h SER 279 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1cw3 h SER 279 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1cw3 h SER 279 CO 0.63 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 1cw3 n ASP 280 N -3.85 2.64 -4.85 4.97 5.68 -1.26 -4.91 116.55 114.97 1cw3 n ASP 280 Ca -0.02 -2.28 -0.32 0.00 -0.50 0.00 0.00 54.79 51.67 1cw3 n ASP 280 Cb 0.21 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 39.69 1cw3 n ASP 280 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cw3 s ALA 281 N -1.71 3.15 -0.42 2.12 0.00 -0.97 -3.27 121.76 120.65 1cw3 s ALA 281 Ca 0.23 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 1cw3 s ALA 281 Cb 0.16 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 1cw3 s ALA 281 CO 0.09 -0.09 1.61 0.34 0.00 0.00 0.00 175.76 177.72 1cw3 s ASP 282 N -2.90 6.02 0.11 0.00 2.15 -1.26 -4.91 116.67 115.88 1cw3 s ASP 282 Ca 0.57 0.88 -0.30 0.00 0.43 0.00 0.00 52.55 54.13 1cw3 s ASP 282 Cb -0.10 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 39.89 1cw3 s ASP 282 CO 0.28 -1.68 1.49 -0.03 -0.17 0.00 0.00 175.17 175.05 1cw3 h MET 283 N 12.06 -0.37 -0.53 4.34 1.85 -1.94 0.10 114.93 130.45 1cw3 h MET 283 Ca -0.30 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 58.91 1cw3 h MET 283 Cb 1.13 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 33.18 1cw3 h MET 283 CO 1.09 -0.25 0.14 -0.44 -0.40 0.00 0.00 176.91 177.06 1cw3 h ASP 284 N -0.38 0.08 -0.05 1.39 3.32 -2.00 -0.38 116.42 118.41 1cw3 h ASP 284 Ca 0.06 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1cw3 h ASP 284 Cb 0.54 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1cw3 h ASP 284 CO -0.51 0.07 0.01 -0.25 -1.72 0.00 0.00 179.24 176.84 1cw3 h TRP 285 N 0.29 0.08 -1.00 4.55 2.91 -1.90 -2.01 115.95 118.87 1cw3 h TRP 285 Ca 0.27 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.31 1cw3 h TRP 285 Cb 0.34 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 28.91 1cw3 h TRP 285 CO -0.20 0.26 0.65 0.00 -1.03 0.00 0.00 178.44 178.12 1cw3 h ALA 286 N 0.81 1.32 -0.27 2.65 0.00 -0.45 0.12 119.26 123.44 1cw3 h ALA 286 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1cw3 h ALA 286 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cw3 h ALA 286 CO -0.00 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 180.05 1cw3 h VAL 287 N 1.27 1.27 -0.32 0.00 2.07 -1.01 0.06 116.25 119.60 1cw3 h VAL 287 Ca 0.40 -1.01 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 1cw3 h VAL 287 Cb -0.01 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1cw3 h VAL 287 CO -0.12 0.32 -0.44 -0.08 0.02 0.00 0.00 177.57 177.27 1cw3 h GLU 288 N 0.26 0.81 -0.22 1.57 4.57 -1.05 -2.19 114.58 118.34 1cw3 h GLU 288 Ca 0.07 -0.45 -0.19 0.00 -1.18 0.00 0.00 59.36 57.61 1cw3 h GLU 288 Cb 0.49 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1cw3 h GLU 288 CO 0.02 1.09 -0.61 1.96 -1.18 0.00 0.00 179.01 180.29 1cw3 h GLN 289 N 0.65 0.74 -0.39 1.92 1.08 -0.75 -2.35 115.11 116.00 1cw3 h GLN 289 Ca 0.04 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.68 1cw3 h GLN 289 Cb 1.02 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 1cw3 h GLN 289 CO 0.10 1.12 -0.02 0.00 -0.95 0.00 0.00 178.83 179.08 1cw3 h ALA 290 N 0.76 1.24 -0.14 3.87 0.00 -0.97 0.46 119.26 124.47 1cw3 h ALA 290 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1cw3 h ALA 290 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1cw3 h ALA 290 CO 0.12 0.51 0.03 1.25 0.00 0.00 0.00 179.25 181.16 1cw3 h HIS 291 N 0.60 0.24 -0.74 0.00 -0.00 -1.31 -2.79 115.15 111.16 1cw3 h HIS 291 Ca 0.12 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1cw3 h HIS 291 Cb 0.40 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 1cw3 h HIS 291 CO 0.02 0.38 0.22 0.35 -0.00 0.00 0.00 177.93 178.90 1cw3 h PHE 292 N 0.03 1.20 -0.59 5.26 3.04 -0.99 0.02 116.94 124.92 1cw3 h PHE 292 Ca 0.04 -0.12 0.14 0.00 3.98 0.00 0.00 57.97 62.01 1cw3 h PHE 292 Cb 0.26 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 1cw3 h PHE 292 CO 0.01 0.95 0.41 0.00 -2.02 0.00 0.00 178.31 177.65 1cw3 h ALA 293 N 1.12 2.31 0.00 2.41 0.00 0.10 -2.51 119.26 122.68 1cw3 h ALA 293 Ca 0.24 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1cw3 h ALA 293 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1cw3 h ALA 293 CO -0.01 -0.46 -1.57 -0.11 0.00 0.00 0.00 179.25 177.10 1cw3 n LEU 294 N -4.42 1.76 0.04 0.00 0.00 -1.05 -0.72 117.00 112.60 1cw3 n LEU 294 Ca 0.11 0.30 0.08 0.00 0.00 0.00 0.00 56.01 56.49 1cw3 n LEU 294 Cb 0.53 -0.69 0.35 0.00 0.00 0.00 0.00 43.42 43.61 1cw3 n LEU 294 CO 0.35 0.06 0.75 0.49 0.00 0.00 0.00 177.39 179.05 1cw3 n PHE 295 N -4.20 0.26 -1.66 1.96 3.01 -0.03 -3.72 117.46 113.06 1cw3 n PHE 295 Ca -0.29 0.10 -0.46 0.00 1.01 0.00 0.00 57.45 57.82 1cw3 n PHE 295 Cb 0.63 -0.67 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.74 2.15 -3.62 1.38 -0.00 -0.95 -2.27 117.46 112.42 1cw3 n PHE 296 Ca 0.03 0.39 -0.22 0.00 -0.00 0.00 0.00 57.45 57.64 1cw3 n PHE 296 Cb 0.17 -2.48 0.07 0.00 -0.00 0.00 0.00 39.48 37.24 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 2.65 -3.85 -2.20 -2.13 5.15 -1.26 -1.38 115.26 112.24 1cw3 n ASN 297 Ca 0.14 -0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 53.26 1cw3 n ASN 297 Cb 0.30 -4.70 -0.03 0.00 -0.53 0.00 0.00 39.78 34.82 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 -4.56 -1.63 -0.90 1.20 3.00 -0.96 -1.24 117.38 112.29 1cw3 n GLN 298 Ca -0.13 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1cw3 n GLN 298 Cb 0.61 -5.66 0.00 0.00 0.00 0.00 0.00 30.24 25.19 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 -0.86 0.70 2.45 1.08 0.00 -0.48 -3.05 105.19 105.05 1cw3 n GLY 299 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.01 4.35 -4.52 1.61 6.02 -0.37 -3.24 117.38 119.22 1cw3 n GLN 300 Ca 0.00 -3.20 -0.23 0.00 -0.01 0.00 0.00 57.00 53.56 1cw3 n GLN 300 Cb 0.02 -2.63 -0.16 0.00 1.02 0.00 0.00 30.24 28.49 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 0.48 0.82 -2.36 0.00 0.00 -0.84 -4.75 120.51 113.86 1cw3 n ALA 304 Ca 0.19 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1cw3 n ALA 304 Cb 0.85 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1cw3 n ALA 304 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1cw3 s GLY 305 N 0.40 1.01 0.00 0.00 0.00 0.11 -3.29 107.32 105.54 1cw3 s GLY 305 Ca 0.72 -2.59 0.29 0.00 0.00 0.00 0.00 44.72 43.14 1cw3 s GLY 305 CO 0.47 3.08 1.82 -1.14 0.00 0.00 0.00 173.10 177.33 1cw3 n SER 306 N 10.94 0.98 -3.68 1.64 3.41 -0.74 -4.32 113.62 121.85 1cw3 n SER 306 Ca 0.47 -1.15 -0.29 0.00 -0.26 0.00 0.00 58.87 57.64 1cw3 n SER 306 Cb 0.46 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.17 1.28 -0.68 4.33 0.52 -0.91 -3.93 118.95 117.40 1cw3 s ARG 307 Ca 0.36 -2.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.28 1cw3 s ARG 307 Cb 0.21 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.48 1cw3 s ARG 307 CO 0.40 -1.19 1.05 0.99 0.02 0.00 0.00 175.30 176.57 1cw3 s THR 308 N 0.26 4.16 -0.05 0.02 2.01 -0.30 -0.57 115.64 121.18 1cw3 s THR 308 Ca 0.19 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1cw3 s THR 308 Cb -0.21 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.52 1cw3 s THR 308 CO -0.02 -1.56 0.71 -0.36 -0.69 0.00 0.00 174.62 172.70 1cw3 s PHE 309 N 4.52 3.60 -0.04 4.92 0.40 -0.03 -0.89 117.98 130.46 1cw3 s PHE 309 Ca 0.26 1.28 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 1cw3 s PHE 309 Cb -0.14 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1cw3 s PHE 309 CO 0.12 0.12 -0.13 0.08 0.70 0.00 0.00 175.22 176.10 1cw3 s VAL 310 N 0.66 1.14 0.28 -0.44 1.01 -0.10 -0.42 120.40 122.53 1cw3 s VAL 310 Ca 0.38 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1cw3 s VAL 310 Cb -0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 1cw3 s VAL 310 CO 0.19 0.34 1.35 -1.58 0.00 0.00 0.00 175.10 175.40 1cw3 s GLN 311 N 0.18 4.34 0.43 2.72 -0.44 -0.85 -1.54 119.66 124.49 1cw3 s GLN 311 Ca -0.05 2.21 0.25 0.00 -2.50 0.00 0.00 55.36 55.27 1cw3 s GLN 311 Cb -0.11 -3.11 1.26 0.00 -1.64 0.00 0.00 33.01 29.42 1cw3 s GLN 311 CO 0.02 -0.27 1.72 1.05 0.50 0.00 0.00 175.29 178.31 1cw3 h GLU 312 N 4.26 0.24 0.00 1.67 4.11 -1.23 -0.90 114.58 122.73 1cw3 h GLU 312 Ca -0.47 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 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 0.71 0.16 -0.21 -0.44 0.07 0.00 0.00 179.01 179.30 1cw3 h ASP 313 N 0.24 0.00 -0.10 3.06 3.32 -1.90 -3.00 116.42 118.03 1cw3 h ASP 313 Ca 0.67 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.72 1cw3 h ASP 313 Cb 1.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1cw3 h ASP 313 CO -0.31 0.21 0.00 2.30 -1.72 0.00 0.00 179.24 179.72 1cw3 n ILE 314 N -3.80 0.96 0.29 0.35 -5.35 -0.43 -4.81 119.36 106.57 1cw3 n ILE 314 Ca -0.02 -0.98 -0.18 0.00 -0.27 0.00 0.00 62.75 61.31 1cw3 n ILE 314 Cb 0.31 0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 38.64 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 0.63 -1.31 -0.41 4.28 5.03 -1.17 -1.41 116.97 122.62 1cw3 h TYR 315 Ca 0.00 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1cw3 h TYR 315 Cb 0.56 0.51 -0.05 0.00 1.55 0.00 0.00 36.73 39.29 1cw3 h TYR 315 CO 0.07 -0.64 0.10 -0.44 -1.32 0.00 0.00 178.16 175.93 1cw3 h ASP 316 N -0.96 0.05 -0.29 -2.11 3.32 -1.87 -0.36 116.42 114.20 1cw3 h ASP 316 Ca -0.06 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1cw3 h ASP 316 Cb 0.84 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1cw3 h ASP 316 CO -0.06 0.07 0.13 -0.08 -1.72 0.00 0.00 179.24 177.58 1cw3 h GLU 317 N 0.24 0.42 -0.63 3.56 4.81 -1.90 -0.48 114.58 120.59 1cw3 h GLU 317 Ca 0.19 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1cw3 h GLU 317 Cb 0.22 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1cw3 h GLU 317 CO -0.24 0.41 0.37 0.35 -0.73 0.00 0.00 179.01 179.17 1cw3 h PHE 318 N 0.33 0.69 -0.29 0.92 3.57 -0.89 -1.37 116.94 119.90 1cw3 h PHE 318 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1cw3 h PHE 318 Cb 0.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1cw3 h PHE 318 CO -0.02 0.37 0.01 0.28 -2.23 0.00 0.00 178.31 176.72 1cw3 h VAL 319 N 0.72 1.25 -0.23 1.41 2.07 -0.87 -1.22 116.25 119.37 1cw3 h VAL 319 Ca 0.27 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1cw3 h VAL 319 Cb 0.08 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1cw3 h VAL 319 CO -0.13 0.29 -0.03 -0.08 0.02 0.00 0.00 177.57 177.64 1cw3 h GLU 320 N 0.29 0.04 -0.61 1.57 4.81 -0.69 -0.18 114.58 119.80 1cw3 h GLU 320 Ca 0.08 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1cw3 h GLU 320 Cb 0.41 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1cw3 h GLU 320 CO 0.01 0.02 0.01 0.00 -0.73 0.00 0.00 179.01 178.33 1cw3 h ARG 321 N 0.04 1.07 -0.77 1.92 3.08 -1.25 -2.24 114.38 116.23 1cw3 h ARG 321 Ca 0.11 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1cw3 h ARG 321 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1cw3 h ARG 321 CO -0.21 1.04 0.29 0.77 -1.07 0.00 0.00 179.97 180.79 1cw3 h SER 322 N 0.97 1.08 -0.52 7.04 0.02 -0.81 -0.95 113.55 120.37 1cw3 h SER 322 Ca 0.17 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1cw3 h SER 322 Cb 0.55 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1cw3 h SER 322 CO 0.03 0.97 0.03 0.58 -1.14 0.00 0.00 176.83 177.29 1cw3 h VAL 323 N 1.12 1.26 -0.61 2.27 2.07 -0.92 -0.28 116.25 121.17 1cw3 h VAL 323 Ca 0.25 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1cw3 h VAL 323 Cb 0.24 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1cw3 h VAL 323 CO -0.02 0.37 0.12 0.00 0.02 0.00 0.00 177.57 178.06 1cw3 h ALA 324 N 0.96 1.05 -0.36 1.67 0.00 -1.12 -0.71 119.26 120.75 1cw3 h ALA 324 Ca 0.15 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1cw3 h ALA 324 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cw3 h ALA 324 CO 0.02 0.61 -0.35 -0.09 0.00 0.00 0.00 179.25 179.44 1cw3 h ARG 325 N 0.92 0.88 -0.48 0.00 9.65 -0.96 -2.44 114.38 121.95 1cw3 h ARG 325 Ca 0.19 -0.46 -0.08 0.00 -1.10 0.00 0.00 59.98 58.53 1cw3 h ARG 325 Cb 0.38 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1cw3 h ARG 325 CO 0.01 1.11 -0.04 0.00 2.80 0.00 0.00 179.97 183.84 1cw3 h ALA 326 N 0.76 1.03 -0.38 2.80 0.00 -0.78 -2.49 119.26 120.20 1cw3 h ALA 326 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1cw3 h ALA 326 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cw3 h ALA 326 CO 0.09 0.60 -0.21 0.87 0.00 0.00 0.00 179.25 180.59 1cw3 h LYS 327 N 0.75 0.74 0.00 0.00 1.57 -1.04 -3.04 116.57 115.56 1cw3 h LYS 327 Ca 0.14 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1cw3 h LYS 327 Cb 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1cw3 h LYS 327 CO 0.03 0.89 0.00 -1.13 -0.57 0.00 0.00 179.45 178.67 1cw3 n SER 328 N -4.12 0.25 -4.58 0.86 3.41 -0.93 -4.80 113.62 103.71 1cw3 n SER 328 Ca 0.00 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1cw3 n SER 328 Cb 0.42 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 -3.03 2.80 -0.01 4.33 3.52 -0.96 -4.91 118.95 120.70 1cw3 s ARG 329 Ca 0.13 1.69 -0.30 0.00 -0.13 0.00 0.00 55.73 57.12 1cw3 s ARG 329 Cb 0.17 -4.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.07 1cw3 s ARG 329 CO 0.54 -2.48 1.64 0.08 -0.81 0.00 0.00 175.30 174.28 1cw3 s VAL 330 N 9.40 3.42 -0.10 7.11 1.01 -1.26 -4.90 120.40 135.08 1cw3 s VAL 330 Ca 0.95 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 1cw3 s VAL 330 Cb -0.26 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1cw3 s VAL 330 CO 0.31 -0.04 -0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1cw3 s VAL 331 N 3.47 3.93 -1.77 2.92 1.01 -1.26 -1.49 120.40 127.20 1cw3 s VAL 331 Ca 0.73 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1cw3 s VAL 331 Cb -0.35 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1cw3 s VAL 331 CO 0.30 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.58 1cw3 n GLY 332 N 2.59 -0.58 3.64 4.51 0.00 -0.76 -4.97 105.19 109.62 1cw3 n GLY 332 Ca -0.18 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1cw3 n GLY 332 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cw3 s ASN 333 N -4.00 6.23 0.48 1.61 2.47 -1.26 -4.42 114.94 116.06 1cw3 s ASN 333 Ca 0.00 2.27 0.26 0.00 0.42 0.00 0.00 52.86 55.80 1cw3 s ASN 333 Cb 0.00 -2.53 1.39 0.00 -1.45 0.00 0.00 41.25 38.66 1cw3 s ASN 333 CO 0.00 -1.28 1.75 1.55 -3.72 0.00 0.00 177.10 175.40 1cw3 h PRO 334 N 11.52 0.00 -0.00 0.43 0.13 -1.89 -0.39 132.00 141.80 1cw3 h PRO 334 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1cw3 h PRO 334 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cw3 h PRO 334 CO 0.96 0.00 -0.33 1.19 -0.23 0.00 0.00 178.00 179.59 1cw3 n PHE 335 N -2.52 0.00 -3.17 1.56 3.01 -1.26 -0.74 117.46 114.34 1cw3 n PHE 335 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.05 1cw3 n PHE 335 Cb 0.23 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 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 -2.80 6.69 0.52 4.37 -1.08 -0.16 -4.94 116.67 119.27 1cw3 s ASP 336 Ca 0.17 0.83 0.28 0.00 -0.52 0.00 0.00 52.55 53.31 1cw3 s ASP 336 Cb 0.18 -2.33 1.41 0.00 -1.46 0.00 0.00 42.92 40.72 1cw3 s ASP 336 CO 0.60 -0.20 1.91 0.77 0.52 0.00 0.00 175.17 178.77 1cw3 h SER 337 N 7.30 0.06 0.66 -0.34 4.64 -1.87 -1.27 113.55 122.74 1cw3 h SER 337 Ca -0.34 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1cw3 h SER 337 Cb 1.16 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1cw3 h SER 337 CO 0.76 0.02 -0.17 0.11 -0.87 0.00 0.00 176.83 176.68 1cw3 h LYS 338 N 0.06 0.00 -6.26 4.77 1.57 -1.93 -3.45 116.57 111.34 1cw3 h LYS 338 Ca 0.40 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.62 1cw3 h LYS 338 Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1cw3 h LYS 338 CO -0.03 0.17 1.18 0.99 -0.57 0.00 0.00 179.45 181.19 1cw3 s THR 339 N -3.90 3.42 -0.16 -0.16 2.01 -0.48 -4.75 115.64 111.63 1cw3 s THR 339 Ca -0.01 0.50 0.11 0.00 0.31 0.00 0.00 61.69 62.60 1cw3 s THR 339 Cb 0.12 -3.37 -0.23 0.00 0.01 0.00 0.00 72.50 69.02 1cw3 s THR 339 CO 0.61 -0.10 0.21 -0.62 -0.69 0.00 0.00 174.62 174.03 1cw3 n GLU 340 N 7.54 0.67 -4.09 4.92 1.02 -0.60 -4.86 120.64 125.24 1cw3 n GLU 340 Ca 0.20 0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 57.21 1cw3 n GLU 340 Cb 0.43 -1.62 -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 -2.53 1.57 0.00 3.49 0.74 -0.56 -4.82 119.66 117.55 1cw3 s GLN 341 Ca -0.14 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1cw3 s GLN 341 Cb 0.07 -1.53 0.00 0.00 1.10 0.00 0.00 33.01 32.65 1cw3 s GLN 341 CO 0.78 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 1cw3 n GLY 342 N 4.62 1.08 3.95 2.59 0.00 -1.26 -1.82 105.19 114.34 1cw3 n GLY 342 Ca -0.16 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 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 2.05 2.23 0.57 1.61 0.04 -1.25 -4.72 135.00 135.52 1cw3 s PRO 343 Ca 0.00 -0.46 -0.15 0.00 0.04 0.00 0.00 61.00 60.44 1cw3 s PRO 343 Cb 0.00 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1cw3 s PRO 343 CO 0.00 -1.13 1.02 -0.65 0.04 0.00 0.00 177.00 176.28 1cw3 s GLN 344 N -5.12 3.65 0.27 4.56 -1.52 0.27 -4.68 119.66 117.09 1cw3 s GLN 344 Ca 0.60 0.97 -0.00 0.00 -1.95 0.00 0.00 55.36 54.97 1cw3 s GLN 344 Cb -0.10 -2.09 0.61 0.00 -0.22 0.00 0.00 33.01 31.21 1cw3 s GLN 344 CO 0.43 -0.52 1.68 -0.24 -0.25 0.00 0.00 175.29 176.39 1cw3 h VAL 345 N 0.42 0.45 -3.07 1.09 3.04 -1.90 -3.43 116.25 112.85 1cw3 h VAL 345 Ca -0.46 -0.10 -0.10 0.00 -1.01 0.00 0.00 66.70 65.03 1cw3 h VAL 345 Cb 1.20 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 1cw3 h VAL 345 CO 0.60 0.06 0.08 -0.90 -1.01 0.00 0.00 177.57 176.40 1cw3 n ASP 346 N -5.14 -1.48 -0.15 3.17 5.68 -1.26 -4.43 116.55 112.95 1cw3 n ASP 346 Ca 0.19 -2.31 -0.09 0.00 -0.50 0.00 0.00 54.79 52.07 1cw3 n ASP 346 Cb 0.58 2.55 -0.00 0.00 -1.14 0.00 0.00 41.12 43.10 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 0.65 -0.32 0.11 4.81 -1.98 -1.58 114.58 116.26 1cw3 h GLU 347 Ca -0.24 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1cw3 h GLU 347 Cb 0.93 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 1cw3 h GLU 347 CO 0.31 0.62 -0.07 1.15 -0.73 0.00 0.00 179.01 180.29 1cw3 h THR 348 N 0.54 0.69 -0.44 0.32 2.02 -1.99 0.11 112.91 114.17 1cw3 h THR 348 Ca 0.14 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 1cw3 h THR 348 Cb 0.23 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1cw3 h THR 348 CO -0.01 0.00 0.07 1.56 0.37 0.00 0.00 175.52 177.52 1cw3 h GLN 349 N 0.02 0.72 -0.20 6.66 1.08 -1.96 -1.10 115.11 120.32 1cw3 h GLN 349 Ca 0.16 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1cw3 h GLN 349 Cb 0.23 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 1cw3 h GLN 349 CO -0.32 0.75 -0.33 0.35 -0.95 0.00 0.00 178.83 178.33 1cw3 h PHE 350 N 0.58 -0.91 -0.54 2.96 3.57 -0.65 0.43 116.94 122.37 1cw3 h PHE 350 Ca 0.13 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1cw3 h PHE 350 Cb 0.37 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1cw3 h PHE 350 CO 0.03 -0.40 -0.02 0.87 -2.23 0.00 0.00 178.31 176.56 1cw3 h LYS 351 N -0.36 0.97 -0.57 1.11 1.57 -0.93 -2.41 116.57 115.94 1cw3 h LYS 351 Ca 0.11 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1cw3 h LYS 351 Cb 0.55 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1cw3 h LYS 351 CO -0.40 0.99 0.37 -0.22 -0.57 0.00 0.00 179.45 179.61 1cw3 h LYS 352 N 0.85 0.72 -0.52 3.15 3.64 -0.80 -0.40 116.57 123.22 1cw3 h LYS 352 Ca 0.15 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1cw3 h LYS 352 Cb 0.56 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1cw3 h LYS 352 CO 0.03 0.48 0.21 0.82 -2.27 0.00 0.00 179.45 178.72 1cw3 h ILE 353 N 0.74 1.21 -0.39 2.00 2.04 -0.81 -1.59 117.51 120.72 1cw3 h ILE 353 Ca 0.22 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1cw3 h ILE 353 Cb -0.05 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1cw3 h ILE 353 CO -0.07 0.25 0.11 -0.07 0.00 0.00 0.00 178.15 178.37 1cw3 h LEU 354 N 0.69 0.52 -0.43 1.44 3.38 -1.15 -1.22 115.31 118.55 1cw3 h LEU 354 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1cw3 h LEU 354 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1cw3 h LEU 354 CO -0.02 0.51 0.24 1.23 0.09 0.00 0.00 178.44 180.49 1cw3 h GLY 355 N 0.77 0.64 1.34 0.83 0.00 -0.24 -1.36 103.07 105.06 1cw3 h GLY 355 Ca 0.13 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1cw3 h GLY 355 CO -0.01 0.28 -0.08 -0.97 0.00 0.00 0.00 176.54 175.76 1cw3 h TYR 356 N 0.56 0.85 -0.50 5.60 -1.99 -0.71 -1.12 116.97 119.66 1cw3 h TYR 356 Ca 0.15 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1cw3 h TYR 356 Cb 0.05 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 1cw3 h TYR 356 CO -0.02 0.83 0.33 0.82 -0.00 0.00 0.00 178.16 180.12 1cw3 h ILE 357 N 0.72 1.13 -0.18 -2.88 2.04 -0.88 0.72 117.51 118.18 1cw3 h ILE 357 Ca 0.13 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1cw3 h ILE 357 Cb 0.55 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1cw3 h ILE 357 CO 0.03 0.13 0.09 0.78 0.00 0.00 0.00 178.15 179.18 1cw3 h ASN 358 N 0.68 0.14 -0.72 1.72 -0.26 -0.81 -1.92 115.58 114.41 1cw3 h ASN 358 Ca 0.18 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.97 1cw3 h ASN 358 Cb -0.07 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.12 1cw3 h ASN 358 CO -0.04 0.11 0.47 0.74 -1.06 0.00 0.00 177.43 177.65 1cw3 h THR 359 N 0.20 1.09 -0.39 2.81 2.02 -0.81 -0.58 112.91 117.25 1cw3 h THR 359 Ca 0.07 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1cw3 h THR 359 Cb 0.01 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1cw3 h THR 359 CO -0.05 0.15 0.17 1.23 0.37 0.00 0.00 175.52 177.40 1cw3 h GLY 360 N 0.84 0.61 1.03 2.16 0.00 -0.11 -1.20 103.07 106.41 1cw3 h GLY 360 Ca 0.29 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1cw3 h GLY 360 CO -0.09 0.30 0.03 0.50 0.00 0.00 0.00 176.54 177.28 1cw3 h LYS 361 N 0.48 0.96 -0.73 4.80 1.57 -0.99 -1.65 116.57 121.01 1cw3 h LYS 361 Ca 0.13 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1cw3 h LYS 361 Cb 0.15 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1cw3 h LYS 361 CO -0.01 0.95 0.41 0.37 -0.57 0.00 0.00 179.45 180.59 1cw3 h GLN 362 N 0.84 0.70 0.00 3.15 5.75 -0.80 -2.15 115.11 122.59 1cw3 h GLN 362 Ca 0.16 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1cw3 h GLN 362 Cb 0.50 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1cw3 h GLN 362 CO 0.02 0.46 0.00 0.39 -2.65 0.00 0.00 178.83 177.05 1cw3 n GLU 363 N -4.78 0.49 -0.20 1.69 1.02 -0.48 -4.90 120.64 113.49 1cw3 n GLU 363 Ca 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1cw3 n GLU 363 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1cw3 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw3 n GLY 364 N 1.04 0.90 3.71 0.62 0.00 -0.81 -5.05 105.19 105.60 1cw3 n GLY 364 Ca 0.15 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 3.42 -0.57 4.61 0.00 -0.63 -4.94 121.76 121.65 1cw3 s ALA 365 Ca 0.00 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 1cw3 s ALA 365 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1cw3 s ALA 365 CO 0.00 -0.49 1.86 0.21 0.00 0.00 0.00 175.76 177.34 1cw3 s LYS 366 N 1.21 2.73 -0.21 0.00 2.20 -0.67 -4.48 119.74 120.52 1cw3 s LYS 366 Ca 0.59 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1cw3 s LYS 366 Cb -0.29 -4.36 -0.03 0.00 -1.51 0.00 0.00 37.83 31.64 1cw3 s LYS 366 CO 0.28 -2.60 1.69 -1.17 -0.36 0.00 0.00 175.35 173.20 1cw3 s LEU 367 N 8.77 3.88 -0.09 5.43 2.96 -1.26 -0.17 118.68 138.20 1cw3 s LEU 367 Ca 0.70 1.69 0.15 0.00 -0.22 0.00 0.00 54.13 56.45 1cw3 s LEU 367 Cb -0.14 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1cw3 s LEU 367 CO 0.23 -1.32 0.45 0.18 -1.32 0.00 0.00 176.35 174.57 1cw3 n LEU 368 N 8.71 0.51 -3.74 -0.68 4.77 0.37 -4.95 117.00 122.00 1cw3 n LEU 368 Ca 0.20 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1cw3 n LEU 368 Cb 0.45 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 1cw3 n LEU 368 CO 0.65 0.40 0.56 0.00 -1.33 0.00 0.00 177.39 177.67 1cw3 n GLY 370 N -0.44 3.06 0.10 0.00 0.00 -1.24 -3.15 105.19 103.52 1cw3 n GLY 370 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.86 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.80 1cw3 n GLY 371 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cw3 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 372 N -2.03 2.81 3.76 -0.02 0.00 -1.26 -4.95 105.19 103.49 1cw3 n GLY 372 Ca 0.00 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.68 3.37 -0.33 -0.61 1.01 -1.26 -1.44 121.20 119.26 1cw3 s ILE 373 Ca 0.00 1.38 0.22 0.00 0.00 0.00 0.00 60.65 62.25 1cw3 s ILE 373 Cb 0.00 -3.88 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 1cw3 s ILE 373 CO 0.00 0.33 0.85 0.00 0.00 0.00 0.00 174.94 176.12 1cw3 n ALA 374 N 1.16 3.00 -3.25 9.38 0.00 -0.42 -4.67 120.51 125.72 1cw3 n ALA 374 Ca -0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1cw3 n ALA 374 Cb 0.44 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.34 -1.06 -1.97 0.00 0.00 -1.26 -4.99 121.76 109.14 1cw3 s ALA 375 Ca -0.01 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.49 1cw3 s ALA 375 Cb 0.13 0.19 0.17 0.00 0.00 0.00 0.00 23.12 23.61 1cw3 s ALA 375 CO 0.84 -0.37 1.13 -0.40 0.00 0.00 0.00 175.76 176.95 1cw3 n ASP 376 N 0.84 1.05 -3.75 0.00 5.75 -1.26 -4.73 116.55 114.44 1cw3 n ASP 376 Ca -0.20 -2.01 -0.12 0.00 -0.01 0.00 0.00 54.79 52.45 1cw3 n ASP 376 Cb 0.58 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 1cw3 n ASP 376 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1cw3 s ARG 377 N -1.74 0.33 0.00 0.11 3.52 -1.26 -5.12 118.95 114.79 1cw3 s ARG 377 Ca 0.13 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1cw3 s ARG 377 Cb 0.07 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1cw3 s ARG 377 CO 0.08 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1cw3 n GLY 378 N 3.33 -0.85 2.83 8.12 0.00 -1.24 -4.59 105.19 112.78 1cw3 n GLY 378 Ca -0.16 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.94 2.97 -3.05 1.61 4.02 -0.66 -4.90 117.16 116.20 1cw3 n TYR 379 Ca 0.00 -2.45 -0.40 0.00 -0.01 0.00 0.00 57.90 55.04 1cw3 n TYR 379 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 39.34 38.14 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 -4.11 3.61 0.02 -0.72 0.40 -1.26 -0.57 117.98 115.35 1cw3 s PHE 380 Ca 0.48 1.28 0.08 0.00 -0.60 0.00 0.00 56.93 58.17 1cw3 s PHE 380 Cb 0.37 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1cw3 s PHE 380 CO -0.33 0.14 -0.24 0.42 0.70 0.00 0.00 175.22 175.91 1cw3 s ILE 381 N 0.59 1.95 0.40 0.64 1.01 -1.26 -1.30 121.20 123.24 1cw3 s ILE 381 Ca 0.37 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 1cw3 s ILE 381 Cb -0.18 -1.65 -0.08 0.00 0.01 0.00 0.00 42.46 40.55 1cw3 s ILE 381 CO 0.19 0.40 1.19 -1.10 0.00 0.00 0.00 174.94 175.62 1cw3 s GLN 382 N -0.96 4.02 -0.19 2.79 -0.21 -0.52 -4.68 119.66 119.92 1cw3 s GLN 382 Ca 0.10 1.88 -0.29 0.00 0.02 0.00 0.00 55.36 57.07 1cw3 s GLN 382 Cb -0.09 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 1cw3 s GLN 382 CO 0.01 -0.36 1.83 -2.14 -2.12 0.00 0.00 175.29 172.51 1cw3 s PRO 383 N -2.31 3.66 -0.07 2.91 0.02 -1.26 -4.37 135.00 133.58 1cw3 s PRO 383 Ca 0.57 1.88 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 1cw3 s PRO 383 Cb -0.32 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.02 1cw3 s PRO 383 CO 0.40 -1.47 0.05 0.99 -0.33 0.00 0.00 177.00 176.64 1cw3 s THR 384 N 5.93 4.64 -0.06 0.99 2.01 0.59 -3.64 115.64 126.10 1cw3 s THR 384 Ca 0.82 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1cw3 s THR 384 Cb -0.29 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1cw3 s THR 384 CO 0.33 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.04 1cw3 s VAL 385 N -1.00 0.67 -0.16 3.82 1.01 -1.19 -0.20 120.40 123.36 1cw3 s VAL 385 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1cw3 s VAL 385 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1cw3 s VAL 385 CO 0.06 0.26 -0.11 -0.36 0.00 0.00 0.00 175.10 174.96 1cw3 s PHE 386 N 1.02 2.86 0.30 5.22 0.40 0.13 -0.47 117.98 127.43 1cw3 s PHE 386 Ca -0.09 -0.73 0.06 0.00 -0.60 0.00 0.00 56.93 55.57 1cw3 s PHE 386 Cb -0.14 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1cw3 s PHE 386 CO -0.00 -0.31 0.36 0.20 0.70 0.00 0.00 175.22 176.17 1cw3 s GLY 387 N 0.66 1.52 -1.49 4.36 0.00 0.77 -1.08 107.32 112.05 1cw3 s GLY 387 Ca -0.06 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 1cw3 s GLY 387 CO 0.02 -1.41 1.01 1.22 0.00 0.00 0.00 173.10 173.94 1cw3 n ASP 388 N -1.45 -5.20 -4.77 1.64 8.00 -1.04 -1.68 116.55 112.05 1cw3 n ASP 388 Ca -0.04 -0.70 -0.38 0.00 0.71 0.00 0.00 54.79 54.38 1cw3 n ASP 388 Cb 0.58 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.52 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 -3.29 3.33 0.13 2.53 1.01 -0.89 -4.71 120.40 118.52 1cw3 s VAL 389 Ca 0.64 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1cw3 s VAL 389 Cb -0.31 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1cw3 s VAL 389 CO 0.79 0.06 -0.10 -1.10 0.00 0.00 0.00 175.10 174.75 1cw3 s GLN 390 N -2.38 2.09 0.22 2.72 -1.52 -1.26 -4.56 119.66 114.97 1cw3 s GLN 390 Ca 0.58 -1.12 -0.08 0.00 -1.95 0.00 0.00 55.36 52.79 1cw3 s GLN 390 Cb -0.28 -2.24 0.35 0.00 -0.22 0.00 0.00 33.01 30.62 1cw3 s GLN 390 CO 0.35 0.48 1.71 -0.44 -0.25 0.00 0.00 175.29 177.14 1cw3 h ASP 391 N 3.35 0.09 0.42 5.90 3.32 -1.96 -2.23 116.42 125.31 1cw3 h ASP 391 Ca -0.48 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1cw3 h ASP 391 Cb 1.18 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1cw3 h ASP 391 CO 0.52 0.04 0.00 1.23 -1.72 0.00 0.00 179.24 179.31 1cw3 h GLY 392 N 0.32 0.00 -3.17 2.75 0.00 -1.96 -3.41 103.07 97.60 1cw3 h GLY 392 Ca 0.35 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.15 1cw3 h GLY 392 CO -0.41 0.00 0.59 1.06 0.00 0.00 0.00 176.54 177.79 1cw3 s MET 393 N -3.60 3.75 0.20 4.80 -1.94 -0.84 -4.94 119.30 116.73 1cw3 s MET 393 Ca -0.00 2.12 -0.11 0.00 -1.71 0.00 0.00 55.69 55.98 1cw3 s MET 393 Cb 0.09 -2.59 0.21 0.00 2.01 0.00 0.00 34.83 34.55 1cw3 s MET 393 CO 0.36 -0.66 1.78 1.15 -0.01 0.00 0.00 175.02 177.64 1cw3 h THR 394 N 2.15 0.90 0.00 2.05 2.02 -1.89 -0.61 112.91 117.52 1cw3 h THR 394 Ca -0.50 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1cw3 h THR 394 Cb 1.26 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1cw3 h THR 394 CO 0.61 0.09 0.00 2.30 0.37 0.00 0.00 175.52 178.89 1cw3 n ILE 395 N -4.90 1.07 0.54 3.11 -5.35 -1.26 -0.52 119.36 112.04 1cw3 n ILE 395 Ca 0.07 0.27 0.09 0.00 -0.27 0.00 0.00 62.75 62.90 1cw3 n ILE 395 Cb 0.19 -1.07 0.11 0.00 -1.74 0.00 0.00 39.64 37.13 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 -1.44 2.43 0.00 -1.28 0.00 -0.27 -4.60 120.51 115.35 1cw3 n ALA 396 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1cw3 n ALA 396 Cb 0.13 -0.61 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 1.01 1.25 -3.88 0.00 5.02 -0.42 -4.93 118.16 116.20 1cw3 n LYS 397 Ca 0.12 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1cw3 n LYS 397 Cb 0.46 -0.90 -0.05 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.80 3.45 -0.43 1.97 2.02 0.32 -4.91 118.70 119.32 1cw3 s GLU 398 Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 54.97 54.50 1cw3 s GLU 398 Cb 0.00 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 1cw3 s GLU 398 CO 0.00 0.72 1.77 -2.00 0.02 0.00 0.00 175.26 175.77 1cw3 s GLU 399 N -1.52 3.13 0.12 1.61 2.12 -1.26 -4.82 118.70 118.09 1cw3 s GLU 399 Ca 0.22 1.10 -0.07 0.00 0.36 0.00 0.00 54.97 56.58 1cw3 s GLU 399 Cb -0.12 -4.24 -0.12 0.00 0.26 0.00 0.00 34.13 29.91 1cw3 s GLU 399 CO 0.12 -2.11 1.29 0.82 -0.54 0.00 0.00 175.26 174.84 1cw3 h ILE 400 N 6.79 1.36 -6.08 -3.70 2.04 -1.93 -3.48 117.51 112.51 1cw3 h ILE 400 Ca -0.30 -2.34 -0.44 0.00 1.00 0.00 0.00 64.86 62.79 1cw3 h ILE 400 Cb 1.16 2.35 0.05 0.00 -0.74 0.00 0.00 36.82 39.64 1cw3 h ILE 400 CO 1.10 0.71 -0.73 0.33 0.00 0.00 0.00 178.15 179.56 1cw3 n PHE 401 N -3.79 -2.54 -3.98 1.37 7.35 -1.26 -4.70 117.46 109.90 1cw3 n PHE 401 Ca -0.08 0.95 -0.12 0.00 -0.76 0.00 0.00 57.45 57.45 1cw3 n PHE 401 Cb 0.83 -4.50 -0.02 0.00 0.35 0.00 0.00 39.48 36.14 1cw3 n PHE 401 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1cw3 s GLY 402 N -3.40 1.00 -0.63 7.13 0.00 -1.20 -4.17 107.32 106.05 1cw3 s GLY 402 Ca 0.58 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 1cw3 s GLY 402 CO 0.78 -0.71 2.44 -1.55 0.00 0.00 0.00 173.10 174.07 1cw3 n PRO 403 N -0.54 2.01 -3.98 2.90 -0.04 -1.17 -4.45 135.00 129.73 1cw3 n PRO 403 Ca -0.03 -1.23 -0.31 0.00 -0.04 0.00 0.00 63.50 61.89 1cw3 n PRO 403 Cb 0.61 -2.24 -0.15 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.48 1.78 -0.11 0.52 1.01 -1.26 -0.30 120.40 124.52 1cw3 s VAL 404 Ca 0.46 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1cw3 s VAL 404 Cb 0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1cw3 s VAL 404 CO -0.02 -0.16 0.48 -0.32 0.00 0.00 0.00 175.10 175.08 1cw3 s MET 405 N 1.26 4.34 -0.29 2.72 1.75 0.72 -4.98 119.30 124.82 1cw3 s MET 405 Ca -0.04 0.46 -0.07 0.00 -1.25 0.00 0.00 55.69 54.79 1cw3 s MET 405 Cb -0.19 -3.43 -0.00 0.00 2.84 0.00 0.00 34.83 34.04 1cw3 s MET 405 CO -0.07 0.16 0.09 -0.65 -0.65 0.00 0.00 175.02 173.90 1cw3 s GLN 406 N 0.60 3.26 -0.28 4.11 1.11 -1.25 0.21 119.66 127.42 1cw3 s GLN 406 Ca 0.26 -0.74 -0.05 0.00 0.01 0.00 0.00 55.36 54.84 1cw3 s GLN 406 Cb -0.15 -3.38 0.01 0.00 -1.01 0.00 0.00 33.01 28.48 1cw3 s GLN 406 CO 0.11 -0.38 0.04 0.42 0.01 0.00 0.00 175.29 175.49 1cw3 s ILE 407 N 1.54 3.68 0.11 1.08 1.01 -0.24 -1.15 121.20 127.24 1cw3 s ILE 407 Ca 0.04 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1cw3 s ILE 407 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1cw3 s ILE 407 CO 0.03 0.13 -0.02 -0.76 0.00 0.00 0.00 174.94 174.31 1cw3 s LEU 408 N 1.46 3.33 -0.08 2.97 1.02 -0.07 -2.09 118.68 125.22 1cw3 s LEU 408 Ca 0.02 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 1cw3 s LEU 408 Cb -0.17 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1cw3 s LEU 408 CO 0.01 0.15 -0.03 -0.75 0.02 0.00 0.00 176.35 175.75 1cw3 s LYS 409 N -2.44 2.90 0.09 1.70 2.20 -1.26 -0.93 119.74 122.00 1cw3 s LYS 409 Ca 0.25 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1cw3 s LYS 409 Cb -0.11 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 1cw3 s LYS 409 CO 0.17 0.68 0.01 -0.59 -0.36 0.00 0.00 175.35 175.26 1cw3 s PHE 410 N -0.84 0.70 -0.03 4.03 -0.12 -0.59 -4.90 117.98 116.23 1cw3 s PHE 410 Ca 0.13 -1.14 -0.04 0.00 -0.05 0.00 0.00 56.93 55.83 1cw3 s PHE 410 Cb -0.11 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 1cw3 s PHE 410 CO 0.02 -0.43 -0.08 1.17 -0.05 0.00 0.00 175.22 175.85 1cw3 n LYS 411 N 0.01 0.12 -2.99 1.99 4.81 -1.26 -0.73 118.16 120.12 1cw3 n LYS 411 Ca -0.10 0.05 -0.20 0.00 -0.87 0.00 0.00 58.31 57.19 1cw3 n LYS 411 Cb 0.62 -0.63 0.02 0.00 0.02 0.00 0.00 35.03 35.06 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 -1.54 3.30 0.12 3.15 -4.23 -1.26 -4.79 115.64 110.39 1cw3 s THR 412 Ca -0.07 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1cw3 s THR 412 Cb 0.01 -3.17 -0.20 0.00 1.34 0.00 0.00 72.50 70.48 1cw3 s THR 412 CO 0.10 -0.09 1.27 -0.29 -0.54 0.00 0.00 174.62 175.07 1cw3 h ILE 413 N 0.48 1.43 -0.36 2.99 2.10 -1.99 -2.68 117.51 119.47 1cw3 h ILE 413 Ca -0.43 -2.60 -0.10 0.00 1.08 0.00 0.00 64.86 62.82 1cw3 h ILE 413 Cb 1.28 2.55 -0.02 0.00 -1.09 0.00 0.00 36.82 39.54 1cw3 h ILE 413 CO 0.51 0.77 -0.18 -0.33 -1.08 0.00 0.00 178.15 177.84 1cw3 h GLU 414 N 0.19 0.68 0.48 2.19 3.07 -2.00 -2.32 114.58 116.87 1cw3 h GLU 414 Ca -0.09 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 1cw3 h GLU 414 Cb 1.67 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1cw3 h GLU 414 CO 0.17 0.82 -0.23 1.49 -1.40 0.00 0.00 179.01 179.86 1cw3 h GLU 415 N 0.61 -0.62 0.00 2.33 4.81 -1.96 -2.93 114.58 116.82 1cw3 h GLU 415 Ca 0.09 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1cw3 h GLU 415 Cb 0.65 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1cw3 h GLU 415 CO 0.05 -0.38 -0.06 -0.24 -0.73 0.00 0.00 179.01 177.65 1cw3 h VAL 416 N -0.73 1.02 0.17 0.32 3.04 -1.36 -1.61 116.25 117.11 1cw3 h VAL 416 Ca -0.07 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.43 1cw3 h VAL 416 Cb 0.53 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1cw3 h VAL 416 CO 0.11 0.05 -0.08 0.58 -1.01 0.00 0.00 177.57 177.22 1cw3 h VAL 417 N 0.00 0.94 -0.48 1.51 2.07 -1.33 0.15 116.25 119.11 1cw3 h VAL 417 Ca -0.00 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1cw3 h VAL 417 Cb 0.10 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1cw3 h VAL 417 CO 0.01 0.14 0.10 1.23 0.02 0.00 0.00 177.57 179.07 1cw3 h GLY 418 N -0.52 0.78 1.14 2.17 0.00 -1.29 -0.56 103.07 104.79 1cw3 h GLY 418 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1cw3 h GLY 418 CO 0.04 0.41 -0.50 3.21 0.00 0.00 0.00 176.54 179.70 1cw3 h ARG 419 N 0.70 0.90 -0.37 4.80 3.08 -1.24 -1.05 114.38 121.20 1cw3 h ARG 419 Ca 0.16 -0.54 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1cw3 h ARG 419 Cb 0.28 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1cw3 h ARG 419 CO -0.00 1.19 -0.00 0.00 -1.07 0.00 0.00 179.97 180.08 1cw3 h ALA 420 N 0.70 0.50 0.00 0.04 0.00 -0.75 -2.96 119.26 116.79 1cw3 h ALA 420 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1cw3 h ALA 420 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1cw3 h ALA 420 CO 0.12 0.27 0.00 -0.91 0.00 0.00 0.00 179.25 178.73 1cw3 h ASN 421 N 0.47 0.00 -0.38 0.00 2.35 -1.08 -3.39 115.58 113.56 1cw3 h ASN 421 Ca 0.10 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.24 1cw3 h ASN 421 Cb 0.47 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1cw3 h ASN 421 CO 0.02 0.00 2.29 -3.20 -1.65 0.00 0.00 177.43 174.89 1cw3 n ASN 422 N -2.51 3.83 -3.53 5.81 5.15 -0.40 -4.78 115.26 118.83 1cw3 n ASN 422 Ca 0.03 -2.81 -0.15 0.00 -0.60 0.00 0.00 54.58 51.05 1cw3 n ASN 422 Cb 0.34 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 37.94 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 4.49 -0.57 0.00 1.20 0.15 -1.26 -5.00 113.70 112.71 1cw3 s SER 423 Ca 0.55 0.56 0.27 0.00 0.70 0.00 0.00 55.95 58.03 1cw3 s SER 423 Cb 0.08 0.48 0.89 0.00 -1.71 0.00 0.00 66.02 65.76 1cw3 s SER 423 CO 0.05 -0.57 1.68 0.35 1.20 0.00 0.00 173.24 175.95 1cw3 n THR 424 N 0.72 0.00 -2.97 6.45 -2.24 -1.26 -4.84 114.28 110.14 1cw3 n THR 424 Ca -0.16 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 1cw3 n THR 424 Cb 0.58 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.96 3.18 -0.21 4.78 4.12 -1.26 -1.26 117.35 123.75 1cw3 s TYR 425 Ca 0.14 0.19 0.02 0.00 0.02 0.00 0.00 57.07 57.44 1cw3 s TYR 425 Cb 0.18 -2.34 0.09 0.00 -1.52 0.00 0.00 41.96 38.37 1cw3 s TYR 425 CO 0.61 -0.39 0.92 0.41 0.02 0.00 0.00 175.55 177.12 1cw3 n GLY 426 N -2.08 -0.44 0.07 0.71 0.00 -1.19 -4.84 105.19 97.41 1cw3 n GLY 426 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.76 0.00 -8.44 0.99 5.85 -1.81 0.19 115.31 112.86 1cw3 h LEU 427 Ca -0.35 -0.89 -0.21 0.00 0.84 0.00 0.00 57.88 57.27 1cw3 h LEU 427 Cb 1.16 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1cw3 h LEU 427 CO -0.13 0.89 -0.19 0.00 -0.34 0.00 0.00 178.44 178.67 1cw3 s ALA 428 N -2.66 0.50 -0.01 1.25 0.00 -1.26 -2.50 121.76 117.09 1cw3 s ALA 428 Ca -0.18 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 1cw3 s ALA 428 Cb -0.02 1.14 0.10 0.00 0.00 0.00 0.00 23.12 24.34 1cw3 s ALA 428 CO 0.69 -0.80 0.91 0.00 0.00 0.00 0.00 175.76 176.56 1cw3 s ALA 429 N -3.36 -1.83 0.01 0.00 0.00 0.27 -4.06 121.76 112.78 1cw3 s ALA 429 Ca 0.29 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 1cw3 s ALA 429 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1cw3 s ALA 429 CO 0.16 -0.69 0.07 0.00 0.00 0.00 0.00 175.76 175.30 1cw3 s ALA 430 N -3.08 -0.15 -0.08 0.00 0.00 -0.42 -1.24 121.76 116.80 1cw3 s ALA 430 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1cw3 s ALA 430 Cb -0.01 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1cw3 s ALA 430 CO -0.08 -0.18 -0.04 0.08 0.00 0.00 0.00 175.76 175.54 1cw3 s VAL 431 N -1.31 0.66 -0.28 0.00 1.01 0.17 -0.48 120.40 120.18 1cw3 s VAL 431 Ca -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1cw3 s VAL 431 Cb -0.08 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1cw3 s VAL 431 CO 0.00 0.29 -0.03 -0.36 0.00 0.00 0.00 175.10 175.00 1cw3 s PHE 432 N 1.54 3.17 -0.01 5.22 0.40 0.12 -0.14 117.98 128.28 1cw3 s PHE 432 Ca -0.00 -1.74 -0.28 0.00 -0.60 0.00 0.00 56.93 54.30 1cw3 s PHE 432 Cb -0.13 -2.08 0.09 0.00 0.51 0.00 0.00 43.02 41.41 1cw3 s PHE 432 CO -0.04 -0.77 0.79 -0.08 0.70 0.00 0.00 175.22 175.82 1cw3 s THR 433 N 1.28 0.00 -0.69 0.64 -1.32 -1.26 -1.79 115.64 112.50 1cw3 s THR 433 Ca -0.03 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.67 1cw3 s THR 433 Cb -0.18 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.60 1cw3 s THR 433 CO -0.03 0.00 0.87 0.29 -2.21 0.00 0.00 174.62 173.54 1cw3 n LYS 434 N 0.19 0.22 -2.74 7.08 5.02 -1.20 -4.85 118.16 121.87 1cw3 n LYS 434 Ca -0.13 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 1cw3 n LYS 434 Cb 0.61 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1cw3 n LYS 434 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cw3 s ASP 435 N -3.57 7.23 0.13 4.39 -1.08 -1.26 -4.97 116.67 117.54 1cw3 s ASP 435 Ca 0.04 1.51 -0.18 0.00 -0.52 0.00 0.00 52.55 53.39 1cw3 s ASP 435 Cb 0.15 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1cw3 s ASP 435 CO 0.85 -0.37 1.76 0.25 0.52 0.00 0.00 175.17 178.18 1cw3 h LEU 436 N 7.62 0.36 -0.83 -1.34 5.85 -2.00 -2.06 115.31 122.91 1cw3 h LEU 436 Ca -0.34 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 1cw3 h LEU 436 Cb 1.17 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1cw3 h LEU 436 CO 0.82 0.30 -0.19 0.44 -0.34 0.00 0.00 178.44 179.47 1cw3 h ASP 437 N 0.38 0.67 -0.37 1.25 3.45 -1.99 -2.58 116.42 117.22 1cw3 h ASP 437 Ca 0.11 -0.22 -0.09 0.00 0.43 0.00 0.00 57.03 57.26 1cw3 h ASP 437 Cb 0.01 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1cw3 h ASP 437 CO -0.02 0.86 -0.11 0.11 -1.57 0.00 0.00 179.24 178.51 1cw3 h LYS 438 N 0.60 0.74 -0.16 3.56 1.57 -1.95 -0.46 116.57 120.46 1cw3 h LYS 438 Ca 0.09 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1cw3 h LYS 438 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1cw3 h LYS 438 CO 0.05 0.90 0.09 0.00 -0.57 0.00 0.00 179.45 179.91 1cw3 h ALA 439 N 0.82 0.19 -0.36 3.86 0.00 -1.31 -1.20 119.26 121.26 1cw3 h ALA 439 Ca 0.09 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1cw3 h ALA 439 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cw3 h ALA 439 CO 0.04 -0.34 -0.30 -0.91 0.00 0.00 0.00 179.25 177.75 1cw3 h ASN 440 N 0.19 0.81 -0.05 0.00 2.35 -1.41 0.00 115.58 117.47 1cw3 h ASN 440 Ca 0.06 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1cw3 h ASN 440 Cb -0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1cw3 h ASN 440 CO -0.03 1.05 0.03 0.22 -1.65 0.00 0.00 177.43 177.05 1cw3 h TYR 441 N 0.66 0.08 -0.29 1.19 3.20 -0.91 -2.60 116.97 118.30 1cw3 h TYR 441 Ca 0.08 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.78 1cw3 h TYR 441 Cb 0.83 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1cw3 h TYR 441 CO 0.04 0.16 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.19 1cw3 h LEU 442 N -0.03 0.92 -1.77 2.82 3.38 -1.19 -1.30 115.31 118.14 1cw3 h LEU 442 Ca 0.02 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1cw3 h LEU 442 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1cw3 h LEU 442 CO -0.00 1.26 -0.16 0.77 0.09 0.00 0.00 178.44 180.39 1cw3 h SER 443 N 0.60 0.00 0.14 -0.43 4.64 -1.01 -1.22 113.55 116.27 1cw3 h SER 443 Ca 0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.06 1cw3 h SER 443 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1cw3 h SER 443 CO 0.11 0.16 -1.41 -0.61 -0.87 0.00 0.00 176.83 174.21 1cw3 h GLN 444 N 0.00 0.29 -0.50 4.77 4.15 -1.42 -3.39 115.11 119.02 1cw3 h GLN 444 Ca -0.00 -0.50 -0.12 0.00 0.77 0.00 0.00 58.65 58.80 1cw3 h GLN 444 Cb 0.37 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1cw3 h GLN 444 CO 0.02 1.24 -0.17 0.00 -1.93 0.00 0.00 178.83 177.99 1cw3 h ALA 445 N 0.01 0.75 -2.59 3.38 0.00 -1.02 -3.45 119.26 116.35 1cw3 h ALA 445 Ca -0.29 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 53.72 1cw3 h ALA 445 Cb 1.83 -0.18 0.05 0.00 0.00 0.00 0.00 17.79 19.49 1cw3 h ALA 445 CO 0.10 0.67 1.02 -0.51 0.00 0.00 0.00 179.25 180.53 1cw3 s LEU 446 N -9.10 4.38 -1.28 0.00 1.43 -0.48 -4.91 118.68 108.72 1cw3 s LEU 446 Ca -0.11 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 1cw3 s LEU 446 Cb 0.13 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.93 1cw3 s LEU 446 CO 0.86 -0.95 2.00 0.00 0.23 0.00 0.00 176.35 178.49 1cw3 n GLN 447 N 4.64 3.97 -4.26 1.70 6.02 -1.26 -4.94 117.38 123.26 1cw3 n GLN 447 Ca 0.16 -3.58 -0.20 0.00 -0.01 0.00 0.00 57.00 53.37 1cw3 n GLN 447 Cb 0.37 -2.81 -0.12 0.00 1.02 0.00 0.00 30.24 28.70 1cw3 n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 s ALA 448 N -0.30 1.36 0.38 -1.58 0.00 -1.26 -4.58 121.76 115.78 1cw3 s ALA 448 Ca 0.43 -1.03 0.22 0.00 0.00 0.00 0.00 51.96 51.58 1cw3 s ALA 448 Cb 0.12 -0.16 1.19 0.00 0.00 0.00 0.00 23.12 24.27 1cw3 s ALA 448 CO -0.02 0.24 1.99 0.78 0.00 0.00 0.00 175.76 178.75 1cw3 h GLY 449 N 4.38 0.00 -6.22 0.00 0.00 -0.96 -3.42 103.07 96.85 1cw3 h GLY 449 Ca -0.42 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.71 1cw3 h GLY 449 CO 0.41 0.00 -0.51 -1.59 0.00 0.00 0.00 176.54 174.85 1cw3 s THR 450 N -4.21 -0.18 -0.26 4.70 2.01 -1.09 -4.65 115.64 111.96 1cw3 s THR 450 Ca -0.03 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1cw3 s THR 450 Cb 0.13 -0.40 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1cw3 s THR 450 CO 0.63 0.08 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.89 1cw3 s VAL 451 N 1.70 2.71 -0.05 3.82 1.01 -1.26 -0.56 120.40 127.77 1cw3 s VAL 451 Ca -0.05 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 1cw3 s VAL 451 Cb -0.11 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1cw3 s VAL 451 CO -0.08 0.11 0.44 0.26 0.00 0.00 0.00 175.10 175.83 1cw3 s TRP 452 N 1.27 3.63 -0.24 5.22 0.51 -0.37 -4.97 118.94 123.98 1cw3 s TRP 452 Ca -0.02 0.95 -0.03 0.00 -2.12 0.00 0.00 56.10 54.88 1cw3 s TRP 452 Cb -0.18 -2.42 0.01 0.00 -0.81 0.00 0.00 33.47 30.08 1cw3 s TRP 452 CO -0.04 0.42 -0.06 0.08 -0.51 0.00 0.00 176.95 176.84 1cw3 s VAL 453 N -0.28 3.06 -1.56 4.03 1.01 -1.26 -0.65 120.40 124.74 1cw3 s VAL 453 Ca 0.24 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1cw3 s VAL 453 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1cw3 s VAL 453 CO 0.12 0.30 0.00 0.59 0.00 0.00 0.00 175.10 176.10 1cw3 n ASN 454 N 4.73 -5.01 -3.71 3.32 3.02 0.80 -4.95 115.26 113.45 1cw3 n ASN 454 Ca -0.17 0.13 -0.06 0.00 -0.03 0.00 0.00 54.58 54.44 1cw3 n ASN 454 Cb 0.49 -4.08 -0.02 0.00 -0.61 0.00 0.00 39.78 35.56 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 -3.50 -0.22 -1.46 0.00 5.04 -1.26 -4.66 117.35 111.29 1cw3 s TYR 456 Ca 0.10 0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 1cw3 s TYR 456 Cb -0.03 0.11 0.04 0.00 0.35 0.00 0.00 41.96 42.43 1cw3 s TYR 456 CO 0.00 -0.36 0.86 -0.25 -1.34 0.00 0.00 175.55 174.46 1cw3 n ASP 457 N 1.53 -5.41 -4.39 4.32 8.00 -1.26 -4.93 116.55 114.41 1cw3 n ASP 457 Ca -0.20 -0.53 -0.44 0.00 0.71 0.00 0.00 54.79 54.33 1cw3 n ASP 457 Cb 0.56 -4.33 -0.04 0.00 -0.02 0.00 0.00 41.12 37.29 1cw3 n ASP 457 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cw3 s VAL 458 N -3.21 4.72 -0.12 2.53 1.01 -1.26 -5.03 120.40 119.04 1cw3 s VAL 458 Ca 0.51 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1cw3 s VAL 458 Cb -0.24 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 1cw3 s VAL 458 CO 0.63 -1.20 0.11 -0.36 0.00 0.00 0.00 175.10 174.27 1cw3 s PHE 459 N 2.96 3.48 -0.05 5.22 0.40 -1.26 -5.09 117.98 123.64 1cw3 s PHE 459 Ca 0.14 0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 1cw3 s PHE 459 Cb -0.22 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1cw3 s PHE 459 CO 0.07 0.64 -0.05 0.20 0.70 0.00 0.00 175.22 176.78 1cw3 s GLY 460 N -0.88 0.48 0.62 4.36 0.00 -1.26 -5.01 107.32 105.63 1cw3 s GLY 460 Ca 0.14 -0.09 0.32 0.00 0.00 0.00 0.00 44.72 45.09 1cw3 s GLY 460 CO 0.03 0.43 2.09 0.00 0.00 0.00 0.00 173.10 175.65 1cw3 h ALA 461 N 7.20 1.59 0.00 3.20 0.00 -1.96 -0.60 119.26 128.69 1cw3 h ALA 461 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cw3 h ALA 461 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cw3 h ALA 461 CO 0.47 -0.29 -0.79 0.00 0.00 0.00 0.00 179.25 178.64 1cw3 n GLN 462 N -3.46 0.34 -3.92 0.00 0.00 -1.26 0.29 117.38 109.37 1cw3 n GLN 462 Ca 0.01 0.07 -0.35 0.00 0.00 0.00 0.00 57.00 56.72 1cw3 n GLN 462 Cb 0.33 -1.68 -0.11 0.00 0.00 0.00 0.00 30.24 28.77 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 -4.33 5.33 0.71 2.61 0.01 -0.23 -3.95 113.70 113.84 1cw3 s SER 463 Ca 0.04 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 1cw3 s SER 463 Cb 0.13 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 1cw3 s SER 463 CO 0.75 0.07 0.87 -0.81 0.41 0.00 0.00 173.24 174.53 1cw3 n PRO 464 N 4.26 0.48 -3.73 12.44 -0.04 -1.26 -4.38 135.00 142.77 1cw3 n PRO 464 Ca -0.16 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1cw3 n PRO 464 Cb 0.52 -2.13 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 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 -1.82 -0.21 -0.02 0.54 5.36 0.90 -4.94 117.98 117.80 1cw3 s PHE 465 Ca 0.72 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.98 1cw3 s PHE 465 Cb -0.35 -0.09 0.10 0.00 -0.34 0.00 0.00 43.02 42.34 1cw3 s PHE 465 CO 0.52 -0.20 1.29 0.20 -1.46 0.00 0.00 175.22 175.56 1cw3 s GLY 466 N 1.43 -0.16 0.24 13.12 0.00 -1.26 -0.86 107.32 119.83 1cw3 s GLY 466 Ca -0.07 0.11 0.09 0.00 0.00 0.00 0.00 44.72 44.84 1cw3 s GLY 466 CO -0.07 5.06 0.03 -0.32 0.00 0.00 0.00 173.10 177.81 1cw3 s GLY 467 N -3.72 1.63 0.11 0.20 0.00 -1.26 -3.89 107.32 100.38 1cw3 s GLY 467 Ca 0.28 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1cw3 s GLY 467 CO -0.01 -1.59 0.21 -0.19 0.00 0.00 0.00 173.10 171.52 1cw3 s TYR 468 N -2.15 3.42 0.00 1.90 1.51 0.58 -4.38 117.35 118.23 1cw3 s TYR 468 Ca 0.31 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 1cw3 s TYR 468 Cb -0.07 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1cw3 s TYR 468 CO 0.20 0.54 0.00 1.63 -1.11 0.00 0.00 175.55 176.82 1cw3 n LYS 469 N -0.10 0.00 -0.44 -0.62 5.02 -1.26 -2.23 118.16 118.53 1cw3 n LYS 469 Ca -0.07 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1cw3 n LYS 469 Cb 0.53 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.75 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 2.91 -0.02 1.97 2.81 -0.39 -3.68 117.12 134.73 1cw3 n MET 470 Ca 0.00 -1.63 0.13 0.00 -1.81 0.00 0.00 57.70 54.39 1cw3 n MET 470 Cb 0.00 -1.83 0.26 0.00 -0.71 0.00 0.00 33.22 30.94 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 0.37 2.48 0.00 7.83 7.64 -0.95 -4.58 113.62 126.42 1cw3 n SER 471 Ca 0.14 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1cw3 n SER 471 Cb 0.70 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.30 1.01 3.31 0.23 0.00 -1.24 -0.54 105.19 109.25 1cw3 n GLY 472 Ca 0.16 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 1cw3 n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 473 N -2.16 -0.46 0.00 1.61 1.04 -0.41 -4.49 113.70 108.83 1cw3 s SER 473 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1cw3 s SER 473 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1cw3 s SER 473 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1cw3 n GLY 474 N 3.17 -0.40 3.14 7.32 0.00 -1.26 -1.57 105.19 115.59 1cw3 n GLY 474 Ca -0.15 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.69 0.74 0.26 1.61 1.81 -1.26 -4.32 118.95 116.08 1cw3 s ARG 475 Ca 0.00 -1.10 0.11 0.00 -1.72 0.00 0.00 55.73 53.02 1cw3 s ARG 475 Cb 0.00 -0.33 -0.05 0.00 -0.45 0.00 0.00 34.95 34.12 1cw3 s ARG 475 CO 0.00 0.03 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.25 1cw3 s GLU 476 N -2.80 1.58 0.20 3.54 2.02 -0.04 -4.01 118.70 119.19 1cw3 s GLU 476 Ca 0.03 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1cw3 s GLU 476 Cb -0.02 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.60 1cw3 s GLU 476 CO -0.02 0.30 0.00 1.28 0.02 0.00 0.00 175.26 176.84 1cw3 n LEU 477 N -0.52 -0.33 0.00 1.80 4.77 -1.26 -0.07 117.00 121.39 1cw3 n LEU 477 Ca -0.06 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1cw3 n LEU 477 Cb 0.60 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1cw3 n LEU 477 CO 0.37 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1cw3 n GLY 478 N -2.89 -1.13 0.18 -0.72 0.00 0.14 -1.87 105.19 98.89 1cw3 n GLY 478 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 0.02 -0.89 1.61 4.81 -1.88 -2.92 114.58 115.34 1cw3 h GLU 479 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1cw3 h GLU 479 Cb 0.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1cw3 h GLU 479 CO 0.00 0.44 0.58 1.88 -0.73 0.00 0.00 179.01 181.19 1cw3 h TYR 480 N 0.02 1.07 0.00 0.92 -1.99 -1.93 -2.28 116.97 112.78 1cw3 h TYR 480 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1cw3 h TYR 480 Cb 0.77 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1cw3 h TYR 480 CO 0.00 0.63 0.09 0.41 -0.00 0.00 0.00 178.16 179.29 1cw3 n GLY 481 N -1.40 -0.36 0.04 3.88 0.00 -0.78 -0.88 105.19 105.70 1cw3 n GLY 481 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.35 0.25 -0.19 0.99 4.77 -0.86 -4.47 117.00 116.16 1cw3 n LEU 482 Ca 0.00 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1cw3 n LEU 482 Cb 0.09 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1cw3 n LEU 482 CO 0.00 -0.03 1.03 1.56 -1.33 0.00 0.00 177.39 178.62 1cw3 h GLN 483 N 0.00 0.51 0.00 3.23 4.20 -1.14 -2.34 115.11 119.57 1cw3 h GLN 483 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1cw3 h GLN 483 Cb 1.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1cw3 h GLN 483 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 1cw3 h ALA 484 N 1.31 1.00 -0.55 3.87 0.00 -1.78 -2.87 119.26 120.24 1cw3 h ALA 484 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cw3 h ALA 484 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cw3 h ALA 484 CO -0.18 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.73 1cw3 n TYR 485 N -2.98 1.38 -5.00 0.00 4.02 -0.89 -4.89 117.16 108.80 1cw3 n TYR 485 Ca -0.00 -0.65 -0.27 0.00 -0.01 0.00 0.00 57.90 56.96 1cw3 n TYR 485 Cb 0.24 -0.27 -0.16 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.02 1.60 -0.17 -0.72 2.01 -1.08 -2.49 115.64 112.77 1cw3 s THR 486 Ca 0.47 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1cw3 s THR 486 Cb 0.32 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1cw3 s THR 486 CO 0.20 0.45 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.80 1cw3 s GLU 487 N -0.48 3.41 -0.21 4.92 2.56 0.70 -4.70 118.70 124.91 1cw3 s GLU 487 Ca 0.08 -0.64 -0.20 0.00 0.00 0.00 0.00 54.97 54.21 1cw3 s GLU 487 Cb -0.08 -2.83 -0.03 0.00 2.00 0.00 0.00 34.13 33.19 1cw3 s GLU 487 CO -0.01 0.03 0.57 0.08 -0.56 0.00 0.00 175.26 175.38 1cw3 s VAL 488 N 0.86 5.06 -0.12 3.70 1.01 -1.26 -1.62 120.40 128.02 1cw3 s VAL 488 Ca -0.02 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1cw3 s VAL 488 Cb -0.15 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1cw3 s VAL 488 CO 0.01 0.13 -0.11 -0.75 0.00 0.00 0.00 175.10 174.38 1cw3 s LYS 489 N 1.88 3.33 -0.23 2.72 2.20 -0.61 -4.96 119.74 124.07 1cw3 s LYS 489 Ca 0.26 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 1cw3 s LYS 489 Cb -0.16 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 1cw3 s LYS 489 CO 0.10 0.29 0.08 0.99 -0.36 0.00 0.00 175.35 176.45 1cw3 s THR 490 N 0.17 4.55 -0.22 3.43 2.01 -1.26 0.11 115.64 124.43 1cw3 s THR 490 Ca -0.06 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 1cw3 s THR 490 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1cw3 s THR 490 CO 0.04 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.59 1cw3 s VAL 491 N 1.22 3.23 -0.31 3.82 1.01 0.10 -4.99 120.40 124.48 1cw3 s VAL 491 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1cw3 s VAL 491 Cb -0.14 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1cw3 s VAL 491 CO 0.04 0.44 -0.00 -0.89 0.00 0.00 0.00 175.10 174.68 1cw3 s THR 492 N 1.45 2.55 -0.16 3.92 2.01 -1.26 -1.53 115.64 122.62 1cw3 s THR 492 Ca 0.06 -1.80 -0.07 0.00 0.31 0.00 0.00 61.69 60.18 1cw3 s THR 492 Cb -0.14 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1cw3 s THR 492 CO -0.04 -0.28 0.08 -0.69 -0.69 0.00 0.00 174.62 173.00 1cw3 s VAL 493 N 1.09 4.97 0.10 3.82 1.01 0.34 -4.92 120.40 126.81 1cw3 s VAL 493 Ca -0.01 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1cw3 s VAL 493 Cb -0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1cw3 s VAL 493 CO -0.05 0.50 1.22 -0.75 0.00 0.00 0.00 175.10 176.03 1cw3 s LYS 494 N -0.04 4.44 0.19 2.72 2.20 -1.26 0.07 119.74 128.06 1cw3 s LYS 494 Ca 0.07 1.83 0.10 0.00 -0.36 0.00 0.00 55.97 57.61 1cw3 s LYS 494 Cb -0.12 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1cw3 s LYS 494 CO 0.01 -0.23 -0.20 0.14 -0.36 0.00 0.00 175.35 174.71 1cw3 s VAL 495 N 0.76 2.06 0.25 4.02 -7.23 -0.76 -4.88 120.40 114.62 1cw3 s VAL 495 Ca 0.58 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1cw3 s VAL 495 Cb -0.31 -1.99 0.22 0.00 0.56 0.00 0.00 36.38 34.87 1cw3 s VAL 495 CO 0.31 -0.26 1.78 -0.65 -0.31 0.00 0.00 175.10 175.97 1cw3 h PRO 496 N 3.12 0.67 -1.04 4.82 0.11 -1.96 -3.43 132.00 134.30 1cw3 h PRO 496 Ca -0.43 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.78 1cw3 h PRO 496 Cb 1.21 -0.15 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 1cw3 h PRO 496 CO 0.51 0.44 -0.04 -1.14 -0.21 0.00 0.00 178.00 177.57 1cw3 s GLN 497 N -6.01 0.42 0.28 1.05 0.74 -1.26 -5.04 119.66 109.84 1cw3 s GLN 497 Ca -0.12 0.88 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 1cw3 s GLN 497 Cb 0.20 0.51 -0.09 0.00 1.10 0.00 0.00 33.01 34.73 1cw3 s GLN 497 CO 0.78 -0.33 1.02 0.21 -0.55 0.00 0.00 175.29 176.43 1cw3 s LYS 498 N 2.80 4.67 0.06 1.67 2.20 -1.26 -5.04 119.74 124.83 1cw3 s LYS 498 Ca 0.05 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.30 1cw3 s LYS 498 Cb -0.11 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1cw3 s LYS 498 CO -0.17 0.30 -0.05 -0.80 -0.36 0.00 0.00 175.35 174.26 1cw3 s ASN 499 N -1.11 0.74 0.00 1.43 0.01 -1.26 -4.99 114.94 109.76 1cw3 s ASN 499 Ca 0.45 -0.77 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 1cw3 s ASN 499 Cb -0.28 0.10 0.48 0.00 0.41 0.00 0.00 41.25 41.96 1cw3 s ASN 499 CO 0.35 -0.39 0.93 -1.54 -1.51 0.00 0.00 177.10 174.94