#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 4.08 0.71 0.00 1.01 -1.26 -5.02 120.40 119.92 1cw3 s VAL 8 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1cw3 s VAL 8 Cb 0.00 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.73 1cw3 s VAL 8 CO 0.00 -1.21 1.16 -2.84 0.00 0.00 0.00 175.10 172.20 1cw3 s PRO 9 N 4.79 2.37 0.15 2.72 0.02 -1.26 -4.92 135.00 138.88 1cw3 s PRO 9 Ca 0.45 1.57 -0.31 0.00 0.02 0.00 0.00 61.00 62.73 1cw3 s PRO 9 Cb -0.07 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1cw3 s PRO 9 CO 0.28 -1.62 1.64 0.00 -0.33 0.00 0.00 177.00 176.97 1cw3 s ALA 10 N -2.21 3.80 0.50 -1.55 0.00 -1.26 -4.98 121.76 116.06 1cw3 s ALA 10 Ca 0.70 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.88 1cw3 s ALA 10 Cb -0.25 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.13 1cw3 s ALA 10 CO 0.45 -0.90 0.99 -1.25 0.00 0.00 0.00 175.76 175.05 1cw3 s PRO 11 N 1.53 3.92 -0.60 0.00 0.04 -1.26 -5.01 135.00 133.62 1cw3 s PRO 11 Ca 0.73 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1cw3 s PRO 11 Cb -0.45 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.07 1cw3 s PRO 11 CO 0.32 -0.30 0.71 1.21 0.04 0.00 0.00 177.00 178.98 1cw3 s ASN 12 N -2.63 6.20 0.00 6.66 3.84 -1.26 -4.92 114.94 122.83 1cw3 s ASN 12 Ca 0.62 -1.47 0.03 0.00 0.21 0.00 0.00 52.86 52.24 1cw3 s ASN 12 Cb -0.11 -2.30 0.18 0.00 -0.55 0.00 0.00 41.25 38.47 1cw3 s ASN 12 CO 0.25 -1.11 0.83 0.00 -2.79 0.00 0.00 177.10 174.29 1cw3 n GLN 13 N 6.29 0.07 -3.05 0.43 6.02 -1.26 -3.22 117.38 122.67 1cw3 n GLN 13 Ca -0.08 0.16 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 1cw3 n GLN 13 Cb 0.43 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1cw3 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1cw3 n GLN 14 N -1.18 0.80 -2.02 -1.09 6.02 -1.26 -5.02 117.38 113.64 1cw3 n GLN 14 Ca 0.02 -2.80 -0.38 0.00 -0.01 0.00 0.00 57.00 53.83 1cw3 n GLN 14 Cb 0.02 -1.35 0.01 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.86 3.51 0.42 -1.09 0.04 -1.20 -5.00 135.00 130.83 1cw3 s PRO 15 Ca 0.34 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.20 1cw3 s PRO 15 Cb 0.23 -2.39 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1cw3 s PRO 15 CO -0.13 -0.83 0.95 -2.00 0.04 0.00 0.00 177.00 175.03 1cw3 s GLU 16 N -2.73 4.25 -0.22 4.56 2.12 -1.26 -5.04 118.70 120.37 1cw3 s GLU 16 Ca 0.66 1.13 -0.08 0.00 0.36 0.00 0.00 54.97 57.04 1cw3 s GLU 16 Cb -0.35 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 1cw3 s GLU 16 CO 0.43 -0.01 0.10 0.08 -0.54 0.00 0.00 175.26 175.31 1cw3 s VAL 17 N -2.14 4.85 -0.07 3.70 1.01 -1.26 -4.97 120.40 121.51 1cw3 s VAL 17 Ca 0.61 -0.00 0.16 0.00 0.00 0.00 0.00 61.98 62.76 1cw3 s VAL 17 Cb -0.10 -3.24 -0.25 0.00 0.00 0.00 0.00 36.38 32.80 1cw3 s VAL 17 CO 0.14 0.38 0.27 0.49 0.00 0.00 0.00 175.10 176.38 1cw3 n PHE 18 N 4.25 0.00 -4.19 5.22 3.01 -1.26 -4.95 117.46 119.54 1cw3 n PHE 18 Ca -0.16 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.04 1cw3 n PHE 18 Cb 0.52 -0.53 -0.17 0.00 -0.01 0.00 0.00 39.48 39.29 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 4.47 -0.04 -1.28 0.00 6.94 -1.26 -4.69 115.26 119.41 1cw3 n ASN 20 Ca -0.17 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.45 1cw3 n ASN 20 Cb 0.51 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 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 0.21 2.33 -3.52 -3.83 6.02 -1.26 -1.36 117.38 115.97 1cw3 n GLN 21 Ca -0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.52 1cw3 n GLN 21 Cb 0.88 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 32.07 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 -0.51 5.24 -0.41 5.09 1.01 0.20 -4.68 121.20 127.13 1cw3 s ILE 22 Ca 0.00 0.66 -0.14 0.00 0.00 0.00 0.00 60.65 61.16 1cw3 s ILE 22 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1cw3 s ILE 22 CO 0.00 0.44 0.29 0.12 0.00 0.00 0.00 174.94 175.79 1cw3 s PHE 23 N 0.01 3.24 -0.02 3.97 5.36 -0.01 -0.25 117.98 130.28 1cw3 s PHE 23 Ca 0.20 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.46 1cw3 s PHE 23 Cb -0.14 -2.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.93 1cw3 s PHE 23 CO 0.07 -0.63 0.00 0.42 -1.46 0.00 0.00 175.22 173.63 1cw3 s ILE 24 N 1.65 0.09 -1.44 3.12 1.01 -0.31 -0.59 121.20 124.73 1cw3 s ILE 24 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1cw3 s ILE 24 Cb -0.20 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.14 1cw3 s ILE 24 CO 0.09 0.09 0.61 0.59 0.00 0.00 0.00 174.94 176.32 1cw3 n ASN 25 N 3.78 -1.51 -1.56 3.58 3.02 -1.26 -0.97 115.26 120.34 1cw3 n ASN 25 Ca -0.22 -0.94 -0.18 0.00 -0.03 0.00 0.00 54.58 53.21 1cw3 n ASN 25 Cb 0.53 -3.35 -0.07 0.00 -0.61 0.00 0.00 39.78 36.28 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 -2.94 -4.64 -4.25 6.41 5.03 -1.26 -4.66 115.26 108.95 1cw3 n ASN 26 Ca -0.21 0.41 -0.20 0.00 0.87 0.00 0.00 54.58 55.45 1cw3 n ASN 26 Cb 0.64 -4.16 -0.12 0.00 -1.02 0.00 0.00 39.78 35.11 1cw3 n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cw3 s GLU 27 N -3.57 1.03 -0.04 3.52 2.02 -0.14 -5.03 118.70 116.48 1cw3 s GLU 27 Ca 0.00 -1.16 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 1cw3 s GLU 27 Cb 0.00 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 1cw3 s GLU 27 CO 0.00 0.23 0.45 -1.58 0.02 0.00 0.00 175.26 174.38 1cw3 s TRP 28 N -1.58 3.65 0.03 1.61 0.52 -1.26 -1.16 118.94 120.74 1cw3 s TRP 28 Ca 0.06 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.17 1cw3 s TRP 28 Cb -0.08 -2.41 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 1cw3 s TRP 28 CO 0.04 0.45 -0.07 -1.01 0.02 0.00 0.00 176.95 176.38 1cw3 s HIS 29 N -0.40 0.58 0.64 -1.98 3.76 0.66 -4.93 115.29 113.62 1cw3 s HIS 29 Ca 0.25 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.67 1cw3 s HIS 29 Cb -0.16 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.16 1cw3 s HIS 29 CO 0.13 -0.07 1.02 -0.51 -0.85 0.00 0.00 174.74 174.46 1cw3 s ASP 30 N -1.17 5.81 0.52 1.40 -0.00 -1.26 -0.63 116.67 121.34 1cw3 s ASP 30 Ca -0.07 1.16 -0.21 0.00 -0.00 0.00 0.00 52.55 53.43 1cw3 s ASP 30 Cb -0.08 -2.12 -0.06 0.00 -0.00 0.00 0.00 42.92 40.67 1cw3 s ASP 30 CO 0.00 -1.07 1.19 0.00 -0.00 0.00 0.00 175.17 175.29 1cw3 s ALA 31 N -3.20 2.80 0.40 5.23 0.00 -1.26 -4.85 121.76 120.88 1cw3 s ALA 31 Ca 0.56 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.67 1cw3 s ALA 31 Cb -0.11 -3.42 1.07 0.00 0.00 0.00 0.00 23.12 20.66 1cw3 s ALA 31 CO 0.51 -0.88 1.80 0.28 0.00 0.00 0.00 175.76 177.47 1cw3 h VAL 32 N 1.47 0.60 0.00 0.00 2.07 -1.94 0.45 116.25 118.89 1cw3 h VAL 32 Ca -0.50 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1cw3 h VAL 32 Cb 1.27 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1cw3 h VAL 32 CO 0.58 0.08 -0.02 -1.54 0.02 0.00 0.00 177.57 176.69 1cw3 n SER 33 N -4.59 0.27 0.00 0.57 3.41 -1.26 -4.90 113.62 107.12 1cw3 n SER 33 Ca 0.23 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1cw3 n SER 33 Cb 0.79 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.74 -0.65 -2.65 4.33 5.12 0.16 -4.99 116.66 116.25 1cw3 n ARG 34 Ca 0.06 0.16 -0.34 0.00 -1.93 0.00 0.00 57.85 55.81 1cw3 n ARG 34 Cb 0.37 -3.77 -0.05 0.00 -1.16 0.00 0.00 32.46 27.85 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 -0.78 3.98 0.05 5.56 1.02 -1.26 -4.85 119.74 123.46 1cw3 s LYS 35 Ca 0.00 1.25 -0.01 0.00 0.02 0.00 0.00 55.97 57.23 1cw3 s LYS 35 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1cw3 s LYS 35 CO 0.00 -0.26 -0.03 0.95 -0.92 0.00 0.00 175.35 175.08 1cw3 s THR 36 N -2.09 0.26 0.03 2.17 -4.23 -1.26 -1.31 115.64 109.21 1cw3 s THR 36 Ca 0.65 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1cw3 s THR 36 Cb -0.13 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 1cw3 s THR 36 CO 0.17 -0.93 -0.11 0.72 -0.54 0.00 0.00 174.62 173.93 1cw3 s PHE 37 N -3.60 0.99 0.33 3.99 -0.12 0.26 -4.80 117.98 115.04 1cw3 s PHE 37 Ca 0.05 -0.35 -0.23 0.00 -0.05 0.00 0.00 56.93 56.35 1cw3 s PHE 37 Cb 0.06 -0.59 -0.10 0.00 -0.63 0.00 0.00 43.02 41.75 1cw3 s PHE 37 CO -0.08 0.00 0.90 -1.25 -0.05 0.00 0.00 175.22 174.74 1cw3 s PRO 38 N -1.11 4.41 -0.17 1.99 0.04 -1.26 -0.68 135.00 138.22 1cw3 s PRO 38 Ca -0.01 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1cw3 s PRO 38 Cb -0.08 -2.64 -0.00 0.00 0.04 0.00 0.00 34.50 31.82 1cw3 s PRO 38 CO 0.01 0.21 -0.12 -0.08 0.04 0.00 0.00 177.00 177.06 1cw3 s THR 39 N -1.76 2.91 0.14 1.26 -1.32 -0.84 -4.94 115.64 111.09 1cw3 s THR 39 Ca 0.52 -0.68 -0.03 0.00 -1.21 0.00 0.00 61.69 60.30 1cw3 s THR 39 Cb -0.15 -2.26 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1cw3 s THR 39 CO 0.20 0.49 0.35 -0.69 -2.21 0.00 0.00 174.62 172.76 1cw3 s VAL 40 N 0.96 5.22 -0.46 5.08 1.01 -1.26 -0.52 120.40 130.42 1cw3 s VAL 40 Ca -0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 1cw3 s VAL 40 Cb -0.15 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1cw3 s VAL 40 CO -0.01 0.01 0.73 0.21 0.00 0.00 0.00 175.10 176.04 1cw3 s ASN 41 N -2.59 6.35 0.29 3.32 3.04 0.31 -4.78 114.94 120.87 1cw3 s ASN 41 Ca 0.39 -0.32 0.21 0.00 0.04 0.00 0.00 52.86 53.18 1cw3 s ASN 41 Cb -0.12 -2.35 1.07 0.00 -1.54 0.00 0.00 41.25 38.30 1cw3 s ASN 41 CO 0.26 -0.90 1.64 -0.81 -3.04 0.00 0.00 177.10 174.26 1cw3 n PRO 42 N 6.57 0.15 0.16 0.43 -0.04 -1.26 0.82 135.00 141.83 1cw3 n PRO 42 Ca -0.00 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1cw3 n PRO 42 Cb 0.48 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.27 113.55 113.95 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1cw3 h SER 43 CO 0.00 0.16 -0.69 0.35 -1.14 0.00 0.00 176.83 175.51 1cw3 n THR 44 N -3.02 0.00 -0.95 -2.27 -2.24 -0.83 -3.96 114.28 101.02 1cw3 n THR 44 Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1cw3 n THR 44 Cb 0.60 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1cw3 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 45 N 1.86 0.64 3.88 3.38 0.00 0.24 -4.41 105.19 110.78 1cw3 n GLY 45 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1cw3 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cw3 s GLU 46 N -0.27 3.79 0.15 1.61 2.56 -1.22 -4.79 118.70 120.53 1cw3 s GLU 46 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 54.97 54.96 1cw3 s GLU 46 Cb 0.00 -2.59 -0.07 0.00 2.00 0.00 0.00 34.13 33.46 1cw3 s GLU 46 CO 0.00 0.24 1.14 0.08 -0.56 0.00 0.00 175.26 176.16 1cw3 s VAL 47 N -1.95 3.85 -0.14 3.70 1.01 -1.26 -0.53 120.40 125.08 1cw3 s VAL 47 Ca 0.48 1.52 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1cw3 s VAL 47 Cb -0.11 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1cw3 s VAL 47 CO 0.23 0.23 0.24 0.40 0.00 0.00 0.00 175.10 176.20 1cw3 h ILE 48 N 3.91 0.70 -2.51 2.22 2.04 -1.13 -3.46 117.51 119.28 1cw3 h ILE 48 Ca -0.44 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 63.89 1cw3 h ILE 48 Cb 1.21 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1cw3 h ILE 48 CO 0.75 0.24 0.37 0.00 0.00 0.00 0.00 178.15 179.51 1cw3 s GLN 50 N -2.05 3.13 0.02 0.00 2.00 -1.26 -1.98 119.66 119.52 1cw3 s GLN 50 Ca 0.16 -0.35 0.07 0.00 -2.00 0.00 0.00 55.36 53.24 1cw3 s GLN 50 Cb -0.03 -2.90 -0.02 0.00 0.80 0.00 0.00 33.01 30.86 1cw3 s GLN 50 CO 0.06 0.69 -0.21 0.08 -0.50 0.00 0.00 175.29 175.42 1cw3 s VAL 51 N -0.84 1.67 0.15 1.34 1.01 0.14 -4.85 120.40 119.01 1cw3 s VAL 51 Ca 0.13 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 60.69 1cw3 s VAL 51 Cb -0.12 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.72 1cw3 s VAL 51 CO 0.03 0.30 1.74 0.00 0.00 0.00 0.00 175.10 177.17 1cw3 n ALA 52 N 2.09 2.13 -3.00 5.51 0.00 -0.47 -0.57 120.51 126.21 1cw3 n ALA 52 Ca -0.16 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 1cw3 n ALA 52 Cb 0.53 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 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 1.88 3.47 0.49 0.00 2.12 -0.43 -4.38 118.70 121.85 1cw3 s GLU 53 Ca 0.80 -1.69 -0.21 0.00 0.36 0.00 0.00 54.97 54.23 1cw3 s GLU 53 Cb -0.55 -4.69 -0.07 0.00 0.26 0.00 0.00 34.13 29.08 1cw3 s GLU 53 CO 0.37 -1.68 1.10 0.20 -0.54 0.00 0.00 175.26 174.71 1cw3 s GLY 54 N 3.44 2.65 0.01 -1.50 0.00 0.41 -4.77 107.32 107.57 1cw3 s GLY 54 Ca 0.27 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1cw3 s GLY 54 CO -0.05 1.16 0.01 1.34 0.00 0.00 0.00 173.10 175.56 1cw3 n ASP 55 N -0.84 -0.03 -0.25 1.64 -0.08 -1.26 -4.20 116.55 111.53 1cw3 n ASP 55 Ca 0.09 -1.08 0.03 0.00 -1.51 0.00 0.00 54.79 52.32 1cw3 n ASP 55 Cb 0.50 0.06 0.12 0.00 2.34 0.00 0.00 41.12 44.15 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 0.04 -0.82 -0.67 3.64 -1.91 -0.38 116.57 116.47 1cw3 h LYS 56 Ca -0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1cw3 h LYS 56 Cb 0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1cw3 h LYS 56 CO 0.01 0.03 0.54 0.93 -2.27 0.00 0.00 179.45 178.69 1cw3 h GLU 57 N 0.04 1.04 -0.19 1.90 5.08 -1.98 0.43 114.58 120.91 1cw3 h GLU 57 Ca 0.38 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.47 1cw3 h GLU 57 Cb 0.62 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1cw3 h GLU 57 CO -0.71 0.69 -0.70 -0.44 -1.00 0.00 0.00 179.01 176.85 1cw3 h ASP 58 N 1.07 0.88 -0.82 1.42 3.32 -1.52 -2.72 116.42 118.06 1cw3 h ASP 58 Ca 0.31 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1cw3 h ASP 58 Cb -0.07 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1cw3 h ASP 58 CO -0.08 1.33 0.39 0.58 -1.72 0.00 0.00 179.24 179.74 1cw3 h VAL 59 N 0.54 1.26 -0.74 -1.35 2.07 -0.69 -1.08 116.25 116.26 1cw3 h VAL 59 Ca -0.03 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1cw3 h VAL 59 Cb 1.31 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1cw3 h VAL 59 CO 0.14 0.31 0.49 0.44 0.02 0.00 0.00 177.57 178.97 1cw3 h ASP 60 N 1.17 0.85 -0.29 0.57 3.32 -0.84 0.22 116.42 121.42 1cw3 h ASP 60 Ca 0.28 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1cw3 h ASP 60 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1cw3 h ASP 60 CO -0.03 0.62 -0.15 0.11 -1.72 0.00 0.00 179.24 178.06 1cw3 h LYS 61 N 1.00 0.62 -0.47 3.56 1.57 -1.06 -2.38 116.57 119.42 1cw3 h LYS 61 Ca 0.27 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1cw3 h LYS 61 Cb -0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1cw3 h LYS 61 CO -0.06 0.86 0.23 0.00 -0.57 0.00 0.00 179.45 179.90 1cw3 h ALA 62 N 0.75 0.61 -0.58 3.86 0.00 -0.33 -1.40 119.26 122.17 1cw3 h ALA 62 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 62 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1cw3 h ALA 62 CO 0.04 0.17 0.16 0.28 0.00 0.00 0.00 179.25 179.91 1cw3 h VAL 63 N 0.62 1.23 -0.67 0.00 2.07 -0.60 -0.46 116.25 118.44 1cw3 h VAL 63 Ca 0.16 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1cw3 h VAL 63 Cb 0.12 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1cw3 h VAL 63 CO -0.02 0.31 0.19 0.11 0.02 0.00 0.00 177.57 178.17 1cw3 h LYS 64 N 0.86 1.05 -0.03 1.57 1.57 -1.04 0.54 116.57 121.09 1cw3 h LYS 64 Ca 0.19 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1cw3 h LYS 64 Cb 0.28 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1cw3 h LYS 64 CO -0.00 0.93 0.01 0.00 -0.57 0.00 0.00 179.45 179.81 1cw3 h ALA 65 N 1.08 0.04 -0.17 3.86 0.00 -0.82 -1.83 119.26 121.42 1cw3 h ALA 65 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1cw3 h ALA 65 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cw3 h ALA 65 CO -0.00 -0.35 0.09 0.00 0.00 0.00 0.00 179.25 178.99 1cw3 h ALA 66 N 0.80 0.20 -0.77 0.00 0.00 -0.94 -1.30 119.26 117.24 1cw3 h ALA 66 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 66 Cb 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1cw3 h ALA 66 CO -0.00 -0.34 0.51 -0.09 0.00 0.00 0.00 179.25 179.33 1cw3 h ARG 67 N 0.19 0.94 -0.36 0.00 9.65 -0.84 -1.90 114.38 122.07 1cw3 h ARG 67 Ca 0.07 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1cw3 h ARG 67 Cb 0.00 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 1cw3 h ARG 67 CO -0.04 0.62 0.08 0.00 2.80 0.00 0.00 179.97 183.44 1cw3 h ALA 68 N 1.54 0.47 0.00 2.80 0.00 -0.89 -2.64 119.26 120.54 1cw3 h ALA 68 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cw3 h ALA 68 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cw3 h ALA 68 CO -0.08 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1cw3 h ALA 69 N 0.92 1.00 -0.19 0.00 0.00 -0.66 -2.07 119.26 118.26 1cw3 h ALA 69 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cw3 h ALA 69 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cw3 h ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.59 1cw3 n PHE 70 N -3.06 0.24 -2.13 0.00 7.35 -0.77 -4.43 117.46 114.65 1cw3 n PHE 70 Ca -0.01 -0.12 -0.41 0.00 -0.76 0.00 0.00 57.45 56.16 1cw3 n PHE 70 Cb 0.20 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 1cw3 n PHE 70 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1cw3 s GLN 71 N -1.76 4.36 0.17 -4.13 -1.52 -0.78 -4.92 119.66 111.09 1cw3 s GLN 71 Ca 0.34 2.20 -0.33 0.00 -1.95 0.00 0.00 55.36 55.62 1cw3 s GLN 71 Cb 0.20 -3.08 -0.14 0.00 -0.22 0.00 0.00 33.01 29.76 1cw3 s GLN 71 CO 0.29 -0.19 1.44 -0.11 -0.25 0.00 0.00 175.29 176.47 1cw3 n LEU 72 N 1.01 2.67 0.00 2.90 7.94 -1.26 -1.08 117.00 129.18 1cw3 n LEU 72 Ca 0.01 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1cw3 n LEU 72 Cb 0.42 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1cw3 n LEU 72 CO 0.59 -0.60 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1cw3 n GLY 73 N 2.71 0.76 3.87 -3.96 0.00 -1.26 -5.05 105.19 102.26 1cw3 n GLY 73 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.96 6.27 0.23 1.61 1.04 -0.24 -4.82 113.70 114.84 1cw3 s SER 74 Ca 0.00 1.37 -0.07 0.00 0.48 0.00 0.00 55.95 57.72 1cw3 s SER 74 Cb 0.00 -2.44 0.39 0.00 0.10 0.00 0.00 66.02 64.07 1cw3 s SER 74 CO 0.00 -0.81 1.67 -0.65 0.98 0.00 0.00 173.24 174.44 1cw3 h PRO 75 N -0.14 0.19 -0.39 4.02 0.11 -1.88 0.16 132.00 134.07 1cw3 h PRO 75 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1cw3 h PRO 75 Cb 1.19 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1cw3 h PRO 75 CO 0.62 0.13 -0.08 2.35 -0.21 0.00 0.00 178.00 180.81 1cw3 h TRP 76 N 0.20 0.73 0.08 0.65 -0.00 -1.93 0.13 115.95 115.80 1cw3 h TRP 76 Ca 0.38 -0.11 -0.25 0.00 -0.00 0.00 0.00 58.89 58.90 1cw3 h TRP 76 Cb 0.63 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.59 1cw3 h TRP 76 CO -0.31 0.73 -1.14 0.00 -0.00 0.00 0.00 178.44 177.72 1cw3 h ARG 77 N 0.62 0.23 0.00 2.65 2.47 -1.53 -3.31 114.38 115.52 1cw3 h ARG 77 Ca 0.11 -0.36 -0.10 0.00 -1.26 0.00 0.00 59.98 58.38 1cw3 h ARG 77 Cb 0.51 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1cw3 h ARG 77 CO 0.03 1.14 -0.63 0.00 0.56 0.00 0.00 179.97 181.07 1cw3 h ARG 78 N 0.08 0.00 -6.47 0.04 3.08 -0.92 -3.47 114.38 106.71 1cw3 h ARG 78 Ca -0.10 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.35 1cw3 h ARG 78 Cb 1.86 0.00 0.11 0.00 0.08 0.00 0.00 29.97 32.02 1cw3 h ARG 78 CO 0.18 0.41 0.12 -0.12 -1.07 0.00 0.00 179.97 179.49 1cw3 n MET 79 N -3.14 1.34 -2.01 0.04 1.56 0.02 -4.92 117.12 110.01 1cw3 n MET 79 Ca 0.00 0.47 -0.40 0.00 -0.27 0.00 0.00 57.70 57.50 1cw3 n MET 79 Cb 0.73 -1.84 -0.01 0.00 2.15 0.00 0.00 33.22 34.25 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 -0.57 6.46 0.26 6.12 1.01 -1.26 -4.90 116.67 123.78 1cw3 s ASP 80 Ca 0.59 2.76 -0.04 0.00 0.71 0.00 0.00 52.55 56.57 1cw3 s ASP 80 Cb -0.70 -2.65 0.36 0.00 1.01 0.00 0.00 42.92 40.95 1cw3 s ASP 80 CO 0.60 -0.76 1.88 0.00 0.21 0.00 0.00 175.17 177.10 1cw3 h ALA 81 N 2.98 1.31 0.00 5.23 0.00 -1.91 0.35 119.26 127.21 1cw3 h ALA 81 Ca -0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1cw3 h ALA 81 Cb 1.24 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cw3 h ALA 81 CO 0.64 0.41 -0.14 0.66 0.00 0.00 0.00 179.25 180.82 1cw3 h SER 82 N 1.13 0.00 1.06 0.00 4.64 -1.90 -1.05 113.55 117.43 1cw3 h SER 82 Ca 0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1cw3 h SER 82 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1cw3 h SER 82 CO -0.16 0.14 -0.72 -0.74 -0.87 0.00 0.00 176.83 174.48 1cw3 h HIS 83 N 0.00 0.00 -0.38 4.77 6.17 -1.31 -2.52 115.15 121.88 1cw3 h HIS 83 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 1cw3 h HIS 83 Cb 0.30 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.21 1cw3 h HIS 83 CO 0.00 0.72 0.02 0.00 0.71 0.00 0.00 177.93 179.38 1cw3 h ARG 84 N 0.00 0.60 -0.60 5.26 3.08 -0.63 -0.83 114.38 121.25 1cw3 h ARG 84 Ca -0.01 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1cw3 h ARG 84 Cb 1.45 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 1cw3 h ARG 84 CO 0.09 0.61 0.03 0.78 -1.07 0.00 0.00 179.97 180.41 1cw3 h GLY 85 N 0.87 1.13 0.97 0.04 0.00 -1.28 -1.05 103.07 103.75 1cw3 h GLY 85 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1cw3 h GLY 85 CO 0.01 0.75 0.12 3.21 0.00 0.00 0.00 176.54 180.62 1cw3 h ARG 86 N 0.95 0.26 -0.68 4.80 2.47 -0.92 -1.53 114.38 119.73 1cw3 h ARG 86 Ca 0.17 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1cw3 h ARG 86 Cb 0.52 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 1cw3 h ARG 86 CO 0.03 0.21 0.43 -0.07 0.56 0.00 0.00 179.97 181.13 1cw3 h LEU 87 N 0.23 0.72 -0.99 3.04 3.38 -0.96 0.13 115.31 120.86 1cw3 h LEU 87 Ca 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1cw3 h LEU 87 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1cw3 h LEU 87 CO -0.01 0.51 0.09 -0.07 0.09 0.00 0.00 178.44 179.04 1cw3 h LEU 88 N 0.85 0.77 -0.66 1.67 3.38 -0.98 0.02 115.31 120.37 1cw3 h LEU 88 Ca 0.26 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1cw3 h LEU 88 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1cw3 h LEU 88 CO -0.09 0.79 -0.59 0.78 0.09 0.00 0.00 178.44 179.41 1cw3 h ASN 89 N 0.78 0.29 -0.31 -0.43 2.35 -0.61 -1.83 115.58 115.82 1cw3 h ASN 89 Ca 0.17 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1cw3 h ASN 89 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1cw3 h ASN 89 CO 0.01 0.81 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.49 1cw3 h ARG 90 N 0.19 0.56 -0.53 0.81 9.65 -0.26 -1.19 114.38 123.62 1cw3 h ARG 90 Ca -0.00 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.70 1cw3 h ARG 90 Cb 1.09 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 1cw3 h ARG 90 CO 0.09 0.71 0.33 1.25 2.80 0.00 0.00 179.97 185.16 1cw3 h LEU 91 N 0.35 0.55 -1.01 3.80 5.85 -0.91 -1.58 115.31 122.36 1cw3 h LEU 91 Ca 0.09 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1cw3 h LEU 91 Cb 0.47 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1cw3 h LEU 91 CO 0.02 0.39 0.65 0.00 -0.34 0.00 0.00 178.44 179.17 1cw3 h ALA 92 N 1.22 1.37 -0.37 1.25 0.00 -1.06 -1.29 119.26 120.38 1cw3 h ALA 92 Ca 0.20 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 92 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1cw3 h ALA 92 CO -0.07 0.51 -0.28 -0.44 0.00 0.00 0.00 179.25 178.97 1cw3 h ASP 93 N 1.23 0.80 -0.42 0.00 3.32 -0.44 -1.02 116.42 119.89 1cw3 h ASP 93 Ca 0.42 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1cw3 h ASP 93 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1cw3 h ASP 93 CO -0.15 1.03 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.19 1cw3 h LEU 94 N 0.66 0.89 -0.44 1.55 3.38 -0.71 -0.47 115.31 120.17 1cw3 h LEU 94 Ca 0.08 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1cw3 h LEU 94 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1cw3 h LEU 94 CO 0.07 1.03 0.02 0.40 0.09 0.00 0.00 178.44 180.05 1cw3 h ILE 95 N 0.79 1.26 -0.26 1.22 2.04 -1.10 -1.81 117.51 119.64 1cw3 h ILE 95 Ca 0.12 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1cw3 h ILE 95 Cb 0.67 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1cw3 h ILE 95 CO 0.05 0.35 -0.14 -0.08 0.00 0.00 0.00 178.15 178.33 1cw3 h GLU 96 N 0.61 0.44 -0.67 2.37 4.81 -0.98 0.11 114.58 121.27 1cw3 h GLU 96 Ca 0.13 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1cw3 h GLU 96 Cb 0.46 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1cw3 h GLU 96 CO 0.02 0.57 0.26 -0.09 -0.73 0.00 0.00 179.01 179.05 1cw3 h ARG 97 N 0.41 1.00 -0.95 1.92 2.43 -0.78 -2.66 114.38 115.75 1cw3 h ARG 97 Ca 0.08 -0.18 -0.49 0.00 -0.81 0.00 0.00 59.98 58.57 1cw3 h ARG 97 Cb 0.49 -0.16 -0.29 0.00 -0.42 0.00 0.00 29.97 29.58 1cw3 h ARG 97 CO 0.03 0.84 0.60 -0.25 -1.51 0.00 0.00 179.97 179.68 1cw3 n ASP 98 N -4.39 3.67 -0.26 -3.80 8.00 -0.71 -4.66 116.55 114.41 1cw3 n ASP 98 Ca 0.05 -3.63 -0.06 0.00 0.71 0.00 0.00 54.79 51.86 1cw3 n ASP 98 Cb 0.18 -0.82 0.05 0.00 -0.02 0.00 0.00 41.12 40.50 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 1.01 0.99 -0.33 -1.24 2.43 -0.62 -0.86 114.38 115.77 1cw3 h ARG 99 Ca 0.61 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1cw3 h ARG 99 Cb 2.76 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 32.11 1cw3 h ARG 99 CO 1.06 0.75 -0.12 1.15 -1.51 0.00 0.00 179.97 181.29 1cw3 h THR 100 N 0.98 1.29 0.13 0.20 2.02 -1.84 -1.42 112.91 114.26 1cw3 h THR 100 Ca 0.25 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1cw3 h THR 100 Cb 0.05 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1cw3 h THR 100 CO -0.04 0.39 -0.06 0.22 0.37 0.00 0.00 175.52 176.40 1cw3 h TYR 101 N 0.43 -0.16 -0.35 3.16 3.20 -1.88 -2.27 116.97 119.10 1cw3 h TYR 101 Ca 0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1cw3 h TYR 101 Cb 0.64 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1cw3 h TYR 101 CO 0.06 0.03 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.52 1cw3 h LEU 102 N -0.34 0.53 -0.94 2.82 3.38 -1.20 -0.45 115.31 119.11 1cw3 h LEU 102 Ca -0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1cw3 h LEU 102 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1cw3 h LEU 102 CO 0.03 0.61 -0.21 0.00 0.09 0.00 0.00 178.44 178.95 1cw3 h ALA 103 N 1.46 1.11 -0.07 1.53 0.00 -1.18 0.30 119.26 122.40 1cw3 h ALA 103 Ca 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1cw3 h ALA 103 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cw3 h ALA 103 CO 0.01 0.55 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 1cw3 h ALA 104 N 1.30 0.12 -0.42 0.00 0.00 -0.99 -2.90 119.26 116.38 1cw3 h ALA 104 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1cw3 h ALA 104 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1cw3 h ALA 104 CO 0.04 0.17 0.07 1.25 0.00 0.00 0.00 179.25 180.78 1cw3 h LEU 105 N -0.18 0.59 -0.46 0.00 5.85 -0.98 -0.02 115.31 120.10 1cw3 h LEU 105 Ca -0.02 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1cw3 h LEU 105 Cb 0.95 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1cw3 h LEU 105 CO 0.06 0.61 0.26 -0.08 -0.34 0.00 0.00 178.44 178.96 1cw3 h GLU 106 N 0.61 0.64 -0.40 1.25 4.57 -0.95 -1.81 114.58 118.48 1cw3 h GLU 106 Ca 0.14 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 1cw3 h GLU 106 Cb 0.28 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1cw3 h GLU 106 CO 0.00 0.49 -0.15 1.15 -1.18 0.00 0.00 179.01 179.32 1cw3 h THR 107 N 0.61 1.28 -0.69 0.32 2.02 -1.23 0.66 112.91 115.89 1cw3 h THR 107 Ca 0.16 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.10 1cw3 h THR 107 Cb 0.03 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1cw3 h THR 107 CO -0.03 0.42 0.43 0.25 0.37 0.00 0.00 175.52 176.97 1cw3 h LEU 108 N 0.62 0.71 0.01 2.58 5.85 -0.79 0.18 115.31 124.49 1cw3 h LEU 108 Ca 0.10 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.54 1cw3 h LEU 108 Cb 0.69 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1cw3 h LEU 108 CO 0.05 0.50 -1.53 -0.78 -0.34 0.00 0.00 178.44 176.34 1cw3 h ASP 109 N 0.85 0.05 0.00 1.25 3.58 -1.30 -3.39 116.42 117.45 1cw3 h ASP 109 Ca 0.27 -0.08 -0.37 0.00 0.42 0.00 0.00 57.03 57.27 1cw3 h ASP 109 Cb 0.00 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 40.97 1cw3 h ASP 109 CO -0.10 1.07 -2.40 -3.20 -2.88 0.00 0.00 179.24 171.73 1cw3 n ASN 110 N -3.17 0.37 0.00 2.28 2.85 0.22 -4.59 115.26 113.22 1cw3 n ASN 110 Ca -0.13 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1cw3 n ASN 110 Cb 1.02 0.73 0.00 0.00 1.24 0.00 0.00 39.78 42.78 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 1.84 2.56 3.75 8.20 0.00 0.64 -4.31 105.19 117.87 1cw3 n GLY 111 Ca -0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.95 2.82 0.27 1.61 -2.85 -1.26 -3.82 119.74 115.55 1cw3 s LYS 112 Ca 0.00 1.88 -0.30 0.00 -1.00 0.00 0.00 55.97 56.55 1cw3 s LYS 112 Cb 0.00 -1.90 -0.13 0.00 -2.06 0.00 0.00 37.83 33.74 1cw3 s LYS 112 CO 0.00 -1.34 1.40 -2.30 0.10 0.00 0.00 175.35 173.21 1cw3 n PRO 113 N -1.74 2.13 -0.22 1.78 -0.02 -1.26 -4.46 135.00 131.21 1cw3 n PRO 113 Ca 0.14 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.36 1cw3 n PRO 113 Cb 0.49 -2.41 0.10 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 3.89 0.58 -0.96 6.00 3.20 -1.27 -0.26 116.97 128.14 1cw3 h TYR 114 Ca -0.45 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.54 1cw3 h TYR 114 Cb 1.27 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.30 1cw3 h TYR 114 CO 0.55 0.24 0.60 0.28 -1.64 0.00 0.00 178.16 178.19 1cw3 h VAL 115 N 0.58 0.96 -0.25 1.81 2.07 -1.91 0.13 116.25 119.63 1cw3 h VAL 115 Ca 0.30 -0.34 -0.19 0.00 0.82 0.00 0.00 66.70 67.28 1cw3 h VAL 115 Cb 0.25 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1cw3 h VAL 115 CO -0.22 0.18 -0.60 0.40 0.02 0.00 0.00 177.57 177.35 1cw3 h ILE 116 N 0.99 1.28 -0.91 4.57 1.08 -1.71 -0.90 117.51 121.90 1cw3 h ILE 116 Ca 0.46 -1.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1cw3 h ILE 116 Cb 0.38 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 1cw3 h ILE 116 CO -0.24 0.58 0.55 0.28 -0.69 0.00 0.00 178.15 178.63 1cw3 h SER 117 N 0.62 1.10 0.25 1.72 0.02 -0.02 0.28 113.55 117.52 1cw3 h SER 117 Ca -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1cw3 h SER 117 Cb 1.22 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1cw3 h SER 117 CO 0.13 0.84 -0.12 0.22 -1.14 0.00 0.00 176.83 176.76 1cw3 h TYR 118 N 1.26 -0.31 -0.10 3.45 3.20 -0.75 -0.63 116.97 123.09 1cw3 h TYR 118 Ca 0.33 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.04 1cw3 h TYR 118 Cb -0.05 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1cw3 h TYR 118 CO 0.01 -0.19 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.65 1cw3 h LEU 119 N -0.82 0.38 0.00 2.82 3.38 -1.21 -3.32 115.31 116.55 1cw3 h LEU 119 Ca -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1cw3 h LEU 119 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cw3 h LEU 119 CO 0.06 0.90 -0.22 0.52 0.09 0.00 0.00 178.44 179.79 1cw3 n VAL 120 N -3.89 0.34 0.08 1.22 0.31 0.90 -4.24 118.33 113.05 1cw3 n VAL 120 Ca -0.03 0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 64.60 1cw3 n VAL 120 Cb 0.63 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.69 0.57 4.52 3.32 -1.30 -1.02 116.42 121.59 1cw3 h ASP 121 Ca 0.00 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1cw3 h ASP 121 Cb 0.22 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1cw3 h ASP 121 CO 0.00 -0.31 -0.39 -0.07 -1.72 0.00 0.00 179.24 176.74 1cw3 h LEU 122 N -0.40 0.00 -0.60 1.55 4.07 -1.23 -1.90 115.31 116.80 1cw3 h LEU 122 Ca 0.05 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.89 1cw3 h LEU 122 Cb 0.46 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1cw3 h LEU 122 CO -0.18 0.39 -0.15 -0.78 -1.08 0.00 0.00 178.44 176.64 1cw3 h ASP 123 N 0.00 0.97 0.65 -0.43 3.58 -1.57 -1.55 116.42 118.06 1cw3 h ASP 123 Ca -0.00 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 1cw3 h ASP 123 Cb 0.78 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1cw3 h ASP 123 CO 0.05 1.10 -0.60 0.24 -2.88 0.00 0.00 179.24 177.15 1cw3 h MET 124 N 0.84 0.00 0.13 0.28 2.86 -0.98 -1.39 114.93 116.67 1cw3 h MET 124 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1cw3 h MET 124 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1cw3 h MET 124 CO 0.05 0.60 -0.06 0.28 1.06 0.00 0.00 176.91 178.85 1cw3 h VAL 125 N 0.00 1.05 -0.09 -2.22 2.07 -1.10 -1.22 116.25 114.74 1cw3 h VAL 125 Ca -0.01 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1cw3 h VAL 125 Cb 1.09 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1cw3 h VAL 125 CO 0.08 0.19 -0.09 -0.07 0.02 0.00 0.00 177.57 177.70 1cw3 h LEU 126 N -0.56 -0.27 -1.52 2.57 3.38 -1.27 -1.30 115.31 116.35 1cw3 h LEU 126 Ca -0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1cw3 h LEU 126 Cb 0.44 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1cw3 h LEU 126 CO 0.03 -0.12 0.34 0.11 0.09 0.00 0.00 178.44 178.88 1cw3 h LYS 127 N -0.11 0.64 0.06 1.13 1.57 -1.26 -1.04 116.57 117.56 1cw3 h LYS 127 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1cw3 h LYS 127 Cb 0.20 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1cw3 h LYS 127 CO -0.16 0.43 -0.03 0.00 -0.57 0.00 0.00 179.45 179.12 1cw3 h LEU 129 N -0.59 0.38 -1.18 0.00 3.38 -1.03 -0.49 115.31 115.78 1cw3 h LEU 129 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1cw3 h LEU 129 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1cw3 h LEU 129 CO 0.01 0.29 -0.21 0.03 0.09 0.00 0.00 178.44 178.66 1cw3 h ARG 130 N 0.44 0.31 -0.02 1.13 3.08 -1.28 -0.08 114.38 117.95 1cw3 h ARG 130 Ca 0.12 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1cw3 h ARG 130 Cb -0.03 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1cw3 h ARG 130 CO -0.02 0.52 0.01 -0.92 -1.07 0.00 0.00 179.97 178.48 1cw3 h TYR 131 N 0.29 0.04 0.00 3.04 3.20 -0.64 -3.04 116.97 119.85 1cw3 h TYR 131 Ca 0.05 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1cw3 h TYR 131 Cb 0.54 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1cw3 h TYR 131 CO 0.01 0.22 -0.28 1.88 -1.64 0.00 0.00 178.16 178.34 1cw3 h TYR 132 N -0.15 0.00 -0.56 -3.82 -1.99 -0.74 -2.49 116.97 107.21 1cw3 h TYR 132 Ca 0.01 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1cw3 h TYR 132 Cb 0.19 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1cw3 h TYR 132 CO -0.01 0.28 0.37 0.00 -0.00 0.00 0.00 178.16 178.81 1cw3 h ALA 133 N 1.72 1.60 0.00 3.88 0.00 -0.91 -1.40 119.26 124.15 1cw3 h ALA 133 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 133 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cw3 h ALA 133 CO 0.04 0.37 -0.28 0.78 0.00 0.00 0.00 179.25 180.16 1cw3 h GLY 134 N 0.77 0.00 1.86 0.00 0.00 -1.40 -2.94 103.07 101.36 1cw3 h GLY 134 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1cw3 h GLY 134 CO -0.04 0.00 -0.12 1.49 0.00 0.00 0.00 176.54 177.86 1cw3 h TRP 135 N 0.00 0.00 -0.88 5.60 4.06 -1.31 -3.39 115.95 120.03 1cw3 h TRP 135 Ca -0.00 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.16 1cw3 h TRP 135 Cb 0.63 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.63 1cw3 h TRP 135 CO 0.00 0.00 -0.05 0.00 -3.56 0.00 0.00 178.44 174.83 1cw3 h ALA 136 N 2.26 0.87 -0.41 1.49 0.00 -1.38 -2.13 119.26 119.96 1cw3 h ALA 136 Ca 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 1cw3 h ALA 136 Cb 0.87 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1cw3 h ALA 136 CO 0.00 -0.46 -0.04 -0.40 0.00 0.00 0.00 179.25 178.35 1cw3 n ASP 137 N -5.46 2.62 0.00 0.00 3.85 -1.26 -4.62 116.55 111.68 1cw3 n ASP 137 Ca 0.17 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.46 1cw3 n ASP 137 Cb 0.57 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 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 -1.12 1.18 -2.07 0.11 5.02 -0.80 -4.90 118.16 115.58 1cw3 n LYS 138 Ca 0.36 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1cw3 n LYS 138 Cb 1.08 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 -0.21 3.42 -1.63 2.13 9.36 -1.22 -4.97 117.16 124.05 1cw3 n TYR 139 Ca 0.00 -2.91 -0.36 0.00 3.32 0.00 0.00 57.90 57.95 1cw3 n TYR 139 Cb 0.07 -2.30 0.08 0.00 -0.63 0.00 0.00 39.34 36.56 1cw3 n TYR 139 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1cw3 n HIS 140 N 5.31 1.79 -0.72 2.98 8.25 -1.26 -4.84 115.22 126.74 1cw3 n HIS 140 Ca 0.46 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 1cw3 n HIS 140 Cb 0.38 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.26 1cw3 n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cw3 n GLY 141 N 0.88 1.29 3.16 -1.41 0.00 -1.26 -4.92 105.19 102.93 1cw3 n GLY 141 Ca 0.16 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1cw3 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cw3 s LYS 142 N 2.13 0.70 -0.19 1.61 1.02 -1.21 -4.95 119.74 118.86 1cw3 s LYS 142 Ca 0.00 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 1cw3 s LYS 142 Cb 0.00 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 1cw3 s LYS 142 CO 0.00 -0.19 -0.04 0.95 -0.92 0.00 0.00 175.35 175.15 1cw3 s THR 143 N -3.24 3.63 -0.15 2.17 -4.23 -1.26 -0.61 115.64 111.95 1cw3 s THR 143 Ca 0.00 -0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1cw3 s THR 143 Cb 0.02 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1cw3 s THR 143 CO -0.08 0.45 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.77 1cw3 s ILE 144 N 0.92 3.65 -0.96 2.99 1.01 0.48 -4.96 121.20 124.33 1cw3 s ILE 144 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 1cw3 s ILE 144 Cb -0.15 -2.58 -0.11 0.00 0.01 0.00 0.00 42.46 39.63 1cw3 s ILE 144 CO 0.01 0.50 2.68 -0.81 0.00 0.00 0.00 174.94 177.32 1cw3 n PRO 145 N 3.59 2.60 -1.07 2.79 -0.04 -1.26 -3.86 135.00 137.75 1cw3 n PRO 145 Ca -0.18 -1.58 -0.32 0.00 -0.04 0.00 0.00 63.50 61.39 1cw3 n PRO 145 Cb 0.52 -2.44 0.12 0.00 -0.04 0.00 0.00 33.50 31.66 1cw3 n PRO 145 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1cw3 s ILE 146 N 2.39 2.60 0.89 0.52 2.07 -1.26 -5.02 121.20 123.39 1cw3 s ILE 146 Ca 0.55 0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.89 1cw3 s ILE 146 Cb 0.17 -2.51 0.13 0.00 0.13 0.00 0.00 42.46 40.38 1cw3 s ILE 146 CO -0.04 -0.23 1.09 -1.81 -1.91 0.00 0.00 174.94 172.04 1cw3 s ASP 147 N -2.81 3.47 0.26 4.50 1.01 -1.26 -4.80 116.67 117.04 1cw3 s ASP 147 Ca 0.66 1.63 0.00 0.00 0.71 0.00 0.00 52.55 55.55 1cw3 s ASP 147 Cb -0.22 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1cw3 s ASP 147 CO 0.54 -2.66 0.00 0.61 0.21 0.00 0.00 175.17 173.87 1cw3 n GLY 148 N -0.89 -1.95 2.89 0.21 0.00 -1.26 -4.37 105.19 99.83 1cw3 n GLY 148 Ca 0.08 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.68 4.34 -4.05 1.61 8.00 -1.26 -4.73 116.55 117.78 1cw3 n ASP 149 Ca 0.00 -2.92 -0.08 0.00 0.71 0.00 0.00 54.79 52.51 1cw3 n ASP 149 Cb 0.33 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 39.71 1cw3 n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cw3 s PHE 150 N 2.56 0.43 -0.26 1.24 0.40 -1.26 -1.93 117.98 119.16 1cw3 s PHE 150 Ca 0.46 -0.90 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1cw3 s PHE 150 Cb 0.11 -0.32 0.06 0.00 0.51 0.00 0.00 43.02 43.38 1cw3 s PHE 150 CO -0.04 -0.34 -0.09 0.12 0.70 0.00 0.00 175.22 175.56 1cw3 s PHE 151 N -3.29 3.24 0.08 0.36 5.36 0.11 -4.78 117.98 119.05 1cw3 s PHE 151 Ca 0.01 -2.20 0.08 0.00 -0.96 0.00 0.00 56.93 53.86 1cw3 s PHE 151 Cb 0.03 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.71 1cw3 s PHE 151 CO -0.08 -0.86 -0.16 0.45 -1.46 0.00 0.00 175.22 173.11 1cw3 s SER 152 N 1.14 3.97 0.30 6.13 0.15 -1.25 -0.26 113.70 123.89 1cw3 s SER 152 Ca -0.07 -0.46 -0.20 0.00 0.70 0.00 0.00 55.95 55.92 1cw3 s SER 152 Cb -0.20 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1cw3 s SER 152 CO -0.05 0.21 0.73 -0.72 1.20 0.00 0.00 173.24 174.62 1cw3 s TYR 153 N -1.06 -0.11 0.06 3.44 -0.85 -0.56 -0.38 117.35 117.89 1cw3 s TYR 153 Ca 0.17 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 1cw3 s TYR 153 Cb -0.11 0.74 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1cw3 s TYR 153 CO 0.09 -1.31 -0.15 0.95 -1.52 0.00 0.00 175.55 173.61 1cw3 s THR 154 N -3.55 1.15 -0.17 -3.49 -4.23 0.22 -0.43 115.64 105.14 1cw3 s THR 154 Ca 0.12 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1cw3 s THR 154 Cb -0.06 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 1cw3 s THR 154 CO 0.08 -0.13 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.85 1cw3 s ARG 155 N -1.54 3.57 -0.81 3.99 0.52 0.63 -3.31 118.95 122.01 1cw3 s ARG 155 Ca -0.00 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.47 1cw3 s ARG 155 Cb -0.09 -2.90 0.15 0.00 0.52 0.00 0.00 34.95 32.62 1cw3 s ARG 155 CO 0.02 0.14 0.92 -1.01 0.02 0.00 0.00 175.30 175.39 1cw3 s HIS 156 N 0.62 3.24 0.49 -0.53 3.76 -1.26 -1.55 115.29 120.05 1cw3 s HIS 156 Ca -0.03 -1.41 -0.00 0.00 -0.15 0.00 0.00 55.06 53.46 1cw3 s HIS 156 Cb -0.15 -4.10 0.01 0.00 1.11 0.00 0.00 32.58 29.45 1cw3 s HIS 156 CO 0.03 -1.32 0.72 -1.21 -0.85 0.00 0.00 174.74 172.11 1cw3 s GLU 157 N 2.07 2.93 0.48 1.40 2.02 -0.22 -4.88 118.70 122.51 1cw3 s GLU 157 Ca 0.23 -0.49 -0.21 0.00 0.02 0.00 0.00 54.97 54.51 1cw3 s GLU 157 Cb -0.11 -2.51 -0.07 0.00 0.10 0.00 0.00 34.13 31.53 1cw3 s GLU 157 CO -0.05 -0.42 1.11 -2.14 0.02 0.00 0.00 175.26 173.79 1cw3 s PRO 158 N -4.65 3.69 0.37 0.39 0.02 -1.26 -0.47 135.00 133.09 1cw3 s PRO 158 Ca 0.51 1.61 0.14 0.00 0.02 0.00 0.00 61.00 63.28 1cw3 s PRO 158 Cb -0.10 -2.24 0.73 0.00 0.02 0.00 0.00 34.50 32.91 1cw3 s PRO 158 CO 0.39 -0.57 1.81 -0.24 -0.33 0.00 0.00 177.00 178.06 1cw3 h VAL 159 N 1.64 1.21 0.00 3.83 3.04 -1.78 -3.38 116.25 120.81 1cw3 h VAL 159 Ca -0.49 -1.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 1cw3 h VAL 159 Cb 1.24 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1cw3 h VAL 159 CO 0.59 0.37 0.00 0.61 -1.01 0.00 0.00 177.57 178.14 1cw3 n GLY 160 N -0.35 0.25 3.63 3.17 0.00 -1.26 -4.83 105.19 105.80 1cw3 n GLY 160 Ca -0.02 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.78 4.68 -0.27 1.61 1.01 -1.26 -2.37 120.40 123.02 1cw3 s VAL 161 Ca 0.00 1.50 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 1cw3 s VAL 161 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1cw3 s VAL 161 CO 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 175.10 174.82 1cw3 s GLY 163 N 1.46 2.81 -0.15 0.00 0.00 0.25 -1.54 107.32 110.15 1cw3 s GLY 163 Ca 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.97 1cw3 s GLY 163 CO 0.00 0.82 0.03 1.20 0.00 0.00 0.00 173.10 175.14 1cw3 s GLN 164 N -0.83 0.62 -0.19 2.90 -0.21 -0.39 -1.37 119.66 120.19 1cw3 s GLN 164 Ca 0.34 -0.21 -0.05 0.00 0.02 0.00 0.00 55.36 55.46 1cw3 s GLN 164 Cb -0.21 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 1cw3 s GLN 164 CO 0.23 -0.52 0.01 0.42 -2.12 0.00 0.00 175.29 173.31 1cw3 s ILE 165 N 1.91 4.11 0.16 1.08 1.01 -0.16 -0.85 121.20 128.45 1cw3 s ILE 165 Ca 0.01 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1cw3 s ILE 165 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1cw3 s ILE 165 CO -0.07 0.44 -0.16 0.27 0.00 0.00 0.00 174.94 175.42 1cw3 s ILE 166 N 0.77 1.62 0.02 2.92 -4.36 -1.05 -1.46 121.20 119.66 1cw3 s ILE 166 Ca 0.01 -1.91 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1cw3 s ILE 166 Cb -0.14 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.80 1cw3 s ILE 166 CO 0.02 -0.41 0.03 -0.81 0.24 0.00 0.00 174.94 174.01 1cw3 n PRO 167 N 0.23 0.04 -0.00 0.37 -0.04 -1.19 -2.90 135.00 131.51 1cw3 n PRO 167 Ca -0.13 -0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1cw3 n PRO 167 Cb 0.58 -0.03 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.97 0.00 -0.26 0.54 4.27 -1.26 -4.29 117.44 114.47 1cw3 n TRP 168 Ca 0.00 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.55 1cw3 n TRP 168 Cb 0.01 -0.05 0.06 0.00 -1.36 0.00 0.00 31.31 29.97 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 1.07 -2.39 -0.67 -1.07 -1.97 -3.33 115.58 107.23 1cw3 h ASN 169 Ca 0.00 -0.22 -0.59 0.00 0.07 0.00 0.00 56.30 55.56 1cw3 h ASN 169 Cb 0.39 -0.28 -0.40 0.00 -2.07 0.00 0.00 38.32 35.96 1cw3 h ASN 169 CO 0.00 1.02 -0.87 0.49 0.07 0.00 0.00 177.43 178.14 1cw3 n PHE 170 N -4.24 0.84 0.03 4.14 3.01 -1.26 -5.01 117.46 114.96 1cw3 n PHE 170 Ca 0.06 -3.72 -0.12 0.00 1.01 0.00 0.00 57.45 54.67 1cw3 n PHE 170 Cb 0.25 -0.22 -0.08 0.00 -0.01 0.00 0.00 39.48 39.42 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 4.91 -0.48 -0.16 -1.08 0.11 -1.80 0.12 132.00 133.62 1cw3 h PRO 171 Ca 0.18 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1cw3 h PRO 171 Cb 0.83 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1cw3 h PRO 171 CO 0.54 -0.32 0.06 -0.07 -0.21 0.00 0.00 178.00 178.00 1cw3 h LEU 172 N -0.50 0.22 -0.65 2.35 3.38 -1.94 -2.63 115.31 115.53 1cw3 h LEU 172 Ca 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1cw3 h LEU 172 Cb 0.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1cw3 h LEU 172 CO -0.30 0.34 0.25 0.25 0.09 0.00 0.00 178.44 179.07 1cw3 h LEU 173 N 0.09 0.90 -1.30 1.67 5.85 -1.83 -1.08 115.31 119.61 1cw3 h LEU 173 Ca 0.05 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1cw3 h LEU 173 Cb 0.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1cw3 h LEU 173 CO -0.00 0.83 0.08 0.24 -0.34 0.00 0.00 178.44 179.25 1cw3 h MET 174 N 0.92 0.56 -0.15 1.25 2.86 -0.76 0.66 114.93 120.27 1cw3 h MET 174 Ca 0.22 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1cw3 h MET 174 Cb 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1cw3 h MET 174 CO -0.02 0.52 -0.01 0.37 1.06 0.00 0.00 176.91 178.84 1cw3 h GLN 175 N 0.55 0.27 -0.89 1.72 4.15 -1.03 -2.93 115.11 116.93 1cw3 h GLN 175 Ca 0.13 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1cw3 h GLN 175 Cb 0.23 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1cw3 h GLN 175 CO -0.00 0.51 0.59 0.00 -1.93 0.00 0.00 178.83 178.00 1cw3 h ALA 176 N 0.75 1.14 0.00 3.38 0.00 -0.54 0.67 119.26 124.65 1cw3 h ALA 176 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 176 Cb 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1cw3 h ALA 176 CO 0.01 0.51 -0.09 -1.49 0.00 0.00 0.00 179.25 178.20 1cw3 h TRP 177 N 1.19 0.00 0.00 0.00 4.06 -0.82 -1.41 115.95 118.97 1cw3 h TRP 177 Ca 0.33 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.09 1cw3 h TRP 177 Cb -0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.02 1cw3 h TRP 177 CO -0.01 0.09 -1.07 0.87 -3.56 0.00 0.00 178.44 174.75 1cw3 h LYS 178 N 0.00 0.00 -0.61 0.49 1.79 -1.14 -3.41 116.57 113.69 1cw3 h LYS 178 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1cw3 h LYS 178 Cb 0.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1cw3 h LYS 178 CO 0.01 0.94 0.01 -0.07 -1.08 0.00 0.00 179.45 179.26 1cw3 h LEU 179 N -1.00 1.06 -0.07 2.94 3.38 -0.87 -2.95 115.31 117.79 1cw3 h LEU 179 Ca -0.29 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.39 1cw3 h LEU 179 Cb 1.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1cw3 h LEU 179 CO -0.18 1.10 -0.30 1.23 0.09 0.00 0.00 178.44 180.39 1cw3 h GLY 180 N 0.98 -1.31 1.52 0.83 0.00 -1.48 -0.78 103.07 102.83 1cw3 h GLY 180 Ca 0.17 0.68 -0.13 0.00 0.00 0.00 0.00 47.33 48.05 1cw3 h GLY 180 CO 0.03 -0.38 -0.42 -0.56 0.00 0.00 0.00 176.54 175.21 1cw3 h PRO 181 N -0.32 0.52 0.27 4.80 0.13 -1.78 -1.73 132.00 133.89 1cw3 h PRO 181 Ca 0.02 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1cw3 h PRO 181 Cb 0.37 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1cw3 h PRO 181 CO -0.24 0.85 -0.13 0.00 -0.23 0.00 0.00 178.00 178.25 1cw3 h ALA 182 N 1.12 -0.36 -0.35 -0.56 0.00 -1.42 -2.25 119.26 115.43 1cw3 h ALA 182 Ca 0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1cw3 h ALA 182 Cb 0.91 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1cw3 h ALA 182 CO 0.08 -0.66 -0.33 -0.07 0.00 0.00 0.00 179.25 178.27 1cw3 h LEU 183 N -0.44 0.82 -2.22 0.00 3.38 -1.20 -1.78 115.31 113.87 1cw3 h LEU 183 Ca -0.04 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1cw3 h LEU 183 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1cw3 h LEU 183 CO 0.06 1.08 0.07 0.00 0.09 0.00 0.00 178.44 179.74 1cw3 h ALA 184 N 0.97 1.83 -0.03 1.53 0.00 -1.21 -0.88 119.26 121.47 1cw3 h ALA 184 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cw3 h ALA 184 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cw3 h ALA 184 CO 0.08 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.47 1cw3 n THR 185 N -4.13 0.00 -1.46 0.00 -2.24 -0.85 -4.14 114.28 101.46 1cw3 n THR 185 Ca -0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1cw3 n THR 185 Cb 0.17 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1cw3 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 186 N 1.30 0.67 3.99 3.38 0.00 -0.33 -4.18 105.19 110.01 1cw3 n GLY 186 Ca 0.15 -0.74 -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 -2.80 5.61 0.11 1.61 0.01 -0.69 -4.77 114.94 114.03 1cw3 s ASN 187 Ca 0.00 -0.14 0.07 0.00 -0.71 0.00 0.00 52.86 52.08 1cw3 s ASN 187 Cb 0.00 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.66 1cw3 s ASN 187 CO 0.00 -0.82 -0.08 0.68 -1.51 0.00 0.00 177.10 175.37 1cw3 s VAL 188 N -2.49 3.48 0.05 1.60 -7.23 -1.00 -4.53 120.40 110.29 1cw3 s VAL 188 Ca 0.53 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.49 1cw3 s VAL 188 Cb -0.10 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1cw3 s VAL 188 CO 0.35 0.08 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.37 1cw3 s VAL 189 N -1.30 1.27 -0.30 1.32 1.01 0.87 -0.83 120.40 122.44 1cw3 s VAL 189 Ca 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1cw3 s VAL 189 Cb -0.11 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.21 1cw3 s VAL 189 CO 0.15 0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.64 1cw3 s VAL 190 N -0.92 1.27 -0.19 2.92 1.01 -0.59 -0.61 120.40 123.29 1cw3 s VAL 190 Ca 0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 1cw3 s VAL 190 Cb -0.08 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1cw3 s VAL 190 CO 0.02 -0.57 0.10 -0.32 0.00 0.00 0.00 175.10 174.33 1cw3 s MET 191 N 1.43 4.10 -0.39 2.72 1.75 0.40 -1.27 119.30 128.05 1cw3 s MET 191 Ca 0.08 -0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 54.17 1cw3 s MET 191 Cb -0.18 -3.33 0.07 0.00 2.84 0.00 0.00 34.83 34.23 1cw3 s MET 191 CO -0.18 0.29 0.20 0.21 -0.65 0.00 0.00 175.02 174.89 1cw3 s LYS 192 N 0.36 2.53 0.42 4.11 2.36 -0.03 -0.71 119.74 128.78 1cw3 s LYS 192 Ca 0.06 -1.42 -0.15 0.00 -2.55 0.00 0.00 55.97 51.92 1cw3 s LYS 192 Cb -0.12 -3.64 -0.08 0.00 -1.05 0.00 0.00 37.83 32.94 1cw3 s LYS 192 CO -0.01 -0.87 0.85 0.14 1.55 0.00 0.00 175.35 177.00 1cw3 s VAL 193 N 1.38 4.63 0.20 4.02 -7.23 -1.26 -2.53 120.40 119.62 1cw3 s VAL 193 Ca 0.02 0.99 -0.32 0.00 -1.81 0.00 0.00 61.98 60.86 1cw3 s VAL 193 Cb -0.22 -3.68 -0.12 0.00 0.56 0.00 0.00 36.38 32.92 1cw3 s VAL 193 CO 0.01 -0.46 1.70 0.00 -0.31 0.00 0.00 175.10 176.05 1cw3 s ALA 194 N -2.32 3.92 0.65 1.32 0.00 -1.14 -4.23 121.76 119.96 1cw3 s ALA 194 Ca 0.56 1.56 0.39 0.00 0.00 0.00 0.00 51.96 54.47 1cw3 s ALA 194 Cb -0.10 -3.69 2.14 0.00 0.00 0.00 0.00 23.12 21.47 1cw3 s ALA 194 CO 0.25 -0.91 2.26 1.05 0.00 0.00 0.00 175.76 178.42 1cw3 h GLU 195 N 6.79 0.00 0.00 0.00 9.09 -1.91 -1.52 114.58 127.03 1cw3 h GLU 195 Ca -0.43 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.84 1cw3 h GLU 195 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 1cw3 h GLU 195 CO 0.95 0.00 -0.66 1.96 0.05 0.00 0.00 179.01 181.32 1cw3 h GLN 196 N 0.00 0.00 -1.67 1.06 7.50 -1.92 -3.39 115.11 116.69 1cw3 h GLN 196 Ca 0.01 0.00 -0.49 0.00 0.50 0.00 0.00 58.65 58.67 1cw3 h GLN 196 Cb 0.15 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 27.35 1cw3 h GLN 196 CO -0.00 0.66 -0.95 0.25 -1.50 0.00 0.00 178.83 177.29 1cw3 n THR 197 N -3.32 -0.64 -0.01 -0.54 -2.24 -0.59 -4.71 114.28 102.22 1cw3 n THR 197 Ca 0.01 -3.31 -0.04 0.00 -2.27 0.00 0.00 64.05 58.44 1cw3 n THR 197 Cb 0.77 -1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 1cw3 n THR 197 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cw3 n PRO 198 N 1.79 0.63 -0.13 -0.78 -0.04 -1.09 -4.51 135.00 130.88 1cw3 n PRO 198 Ca 0.20 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1cw3 n PRO 198 Cb 0.54 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1cw3 n PRO 198 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cw3 h LEU 199 N 0.00 -1.49 -0.98 1.53 3.38 -1.90 -2.82 115.31 113.03 1cw3 h LEU 199 Ca -0.25 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1cw3 h LEU 199 Cb 1.79 0.65 -0.04 0.00 0.09 0.00 0.00 40.66 43.15 1cw3 h LEU 199 CO 0.05 -0.37 0.42 0.71 0.09 0.00 0.00 178.44 179.34 1cw3 h THR 200 N -0.33 1.24 0.00 0.22 1.35 -1.88 -2.05 112.91 111.47 1cw3 h THR 200 Ca 0.13 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 65.29 1cw3 h THR 200 Cb 0.59 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1cw3 h THR 200 CO -0.58 0.28 -0.27 0.00 -0.25 0.00 0.00 175.52 174.69 1cw3 h ALA 201 N 1.32 1.46 -0.06 6.62 0.00 -1.83 -1.36 119.26 125.40 1cw3 h ALA 201 Ca 0.28 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1cw3 h ALA 201 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cw3 h ALA 201 CO -0.04 0.34 -0.84 -0.07 0.00 0.00 0.00 179.25 178.64 1cw3 h LEU 202 N 0.00 0.66 -0.95 0.00 3.38 -1.15 -2.71 115.31 114.54 1cw3 h LEU 202 Ca -0.00 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 1cw3 h LEU 202 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1cw3 h LEU 202 CO 0.04 1.25 -0.37 0.22 0.09 0.00 0.00 178.44 179.67 1cw3 h TYR 203 N 0.34 0.35 -0.17 1.13 3.20 -0.88 -2.53 116.97 118.42 1cw3 h TYR 203 Ca -0.06 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.64 1cw3 h TYR 203 Cb 1.46 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 1cw3 h TYR 203 CO 0.07 0.64 -0.23 0.28 -1.64 0.00 0.00 178.16 177.27 1cw3 h VAL 204 N 0.26 1.24 -0.83 1.81 2.07 -1.16 -2.24 116.25 117.40 1cw3 h VAL 204 Ca 0.03 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1cw3 h VAL 204 Cb 0.78 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1cw3 h VAL 204 CO 0.06 0.34 0.55 0.00 0.02 0.00 0.00 177.57 178.54 1cw3 h ALA 205 N 1.49 1.44 -0.52 1.67 0.00 -1.13 0.12 119.26 122.34 1cw3 h ALA 205 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 205 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1cw3 h ALA 205 CO 0.04 0.51 0.25 -0.97 0.00 0.00 0.00 179.25 179.08 1cw3 h ASN 206 N 1.09 0.68 0.25 0.00 -1.24 -1.34 -1.95 115.58 113.07 1cw3 h ASN 206 Ca 0.31 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 57.11 1cw3 h ASN 206 Cb -0.08 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1cw3 h ASN 206 CO -0.08 0.61 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.27 1cw3 h LEU 207 N 0.69 0.13 -0.80 0.34 3.38 -1.02 -1.27 115.31 116.77 1cw3 h LEU 207 Ca 0.18 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1cw3 h LEU 207 Cb 0.12 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1cw3 h LEU 207 CO -0.02 0.46 0.22 0.40 0.09 0.00 0.00 178.44 179.59 1cw3 h ILE 208 N 0.11 1.26 -0.02 1.22 2.04 -0.25 0.12 117.51 122.00 1cw3 h ILE 208 Ca 0.01 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1cw3 h ILE 208 Cb 0.65 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1cw3 h ILE 208 CO 0.05 0.35 -0.00 0.50 0.00 0.00 0.00 178.15 179.05 1cw3 h LYS 209 N 1.07 0.04 -0.01 2.37 3.64 -0.71 -2.84 116.57 120.13 1cw3 h LYS 209 Ca 0.23 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1cw3 h LYS 209 Cb 0.31 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1cw3 h LYS 209 CO -0.01 0.35 -0.02 1.49 -2.27 0.00 0.00 179.45 178.99 1cw3 h GLU 210 N -0.28 0.02 0.00 1.90 4.81 -1.03 -0.26 114.58 119.74 1cw3 h GLU 210 Ca 0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1cw3 h GLU 210 Cb 0.33 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1cw3 h GLU 210 CO 0.00 0.04 -0.04 0.00 -0.73 0.00 0.00 179.01 178.29 1cw3 h ALA 211 N 1.96 1.01 0.00 2.92 0.00 -0.58 -3.47 119.26 121.11 1cw3 h ALA 211 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 211 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1cw3 h ALA 211 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1cw3 n GLY 212 N 0.04 0.98 3.74 0.00 0.00 -0.11 -4.89 105.19 104.96 1cw3 n GLY 212 Ca 0.00 -0.03 -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 3.30 0.51 1.61 0.40 -1.09 -4.97 117.98 115.75 1cw3 s PHE 213 Ca 0.00 1.32 -0.22 0.00 -0.60 0.00 0.00 56.93 57.43 1cw3 s PHE 213 Cb 0.00 -3.54 -0.07 0.00 0.51 0.00 0.00 43.02 39.92 1cw3 s PHE 213 CO 0.00 -1.61 1.11 -2.30 0.70 0.00 0.00 175.22 173.12 1cw3 n PRO 214 N 2.35 1.35 -1.72 0.24 -0.02 -1.26 -4.81 135.00 131.13 1cw3 n PRO 214 Ca 0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1cw3 n PRO 214 Cb 0.43 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1cw3 n PRO 214 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1cw3 n PRO 215 N -0.54 2.28 -0.41 0.52 -0.02 -1.26 -2.45 135.00 133.13 1cw3 n PRO 215 Ca 0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1cw3 n PRO 215 Cb 0.43 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1cw3 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cw3 n GLY 216 N 0.97 1.64 0.17 -1.23 0.00 -1.26 -4.71 105.19 100.76 1cw3 n GLY 216 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 1.39 -3.04 1.61 2.07 -1.80 -3.29 116.25 113.21 1cw3 h VAL 217 Ca 0.00 -2.04 -0.47 0.00 0.82 0.00 0.00 66.70 65.01 1cw3 h VAL 217 Cb 0.00 2.04 -0.41 0.00 -1.52 0.00 0.00 31.29 31.40 1cw3 h VAL 217 CO 0.00 0.60 -0.75 -0.69 0.02 0.00 0.00 177.57 176.75 1cw3 s VAL 218 N -3.71 -0.03 -0.12 2.57 1.01 -1.26 -0.09 120.40 118.77 1cw3 s VAL 218 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1cw3 s VAL 218 Cb 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1cw3 s VAL 218 CO 0.80 -0.34 -0.15 0.20 0.00 0.00 0.00 175.10 175.62 1cw3 s ASN 219 N 2.11 3.89 -0.18 3.32 0.01 0.22 -4.76 114.94 119.55 1cw3 s ASN 219 Ca 0.03 -0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 1cw3 s ASN 219 Cb -0.16 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.97 1cw3 s ASN 219 CO -0.13 0.18 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.88 1cw3 s ILE 220 N 0.27 2.75 -0.56 0.60 1.01 0.24 -0.45 121.20 125.08 1cw3 s ILE 220 Ca -0.11 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1cw3 s ILE 220 Cb -0.16 -2.19 0.15 0.00 0.01 0.00 0.00 42.46 40.27 1cw3 s ILE 220 CO 0.06 0.50 0.37 -0.69 0.00 0.00 0.00 174.94 175.18 1cw3 s VAL 221 N 1.05 3.65 0.54 2.92 1.01 0.11 -0.83 120.40 128.85 1cw3 s VAL 221 Ca -0.01 -2.63 -0.19 0.00 0.00 0.00 0.00 61.98 59.15 1cw3 s VAL 221 Cb -0.15 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1cw3 s VAL 221 CO -0.03 -0.82 1.12 -2.16 0.00 0.00 0.00 175.10 173.21 1cw3 s PRO 222 N 0.37 3.38 0.00 2.72 0.04 -1.26 -3.99 135.00 136.25 1cw3 s PRO 222 Ca 0.14 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1cw3 s PRO 222 Cb -0.21 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1cw3 s PRO 222 CO -0.04 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1cw3 n GLY 223 N 0.09 -0.99 3.94 0.56 0.00 -1.26 -0.44 105.19 107.09 1cw3 n GLY 223 Ca 0.11 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1cw3 n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 224 N -3.00 3.19 0.00 1.61 0.40 -1.26 -3.79 117.98 115.13 1cw3 s PHE 224 Ca 0.00 0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.57 1cw3 s PHE 224 Cb 0.00 -2.50 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 1cw3 s PHE 224 CO 0.00 -0.57 0.79 0.78 0.70 0.00 0.00 175.22 176.92 1cw3 h GLY 225 N 0.17 -0.38 1.13 4.36 0.00 -1.96 -2.26 103.07 104.14 1cw3 h GLY 225 Ca -0.45 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.10 1cw3 h GLY 225 CO 0.58 -0.14 0.36 -2.55 0.00 0.00 0.00 176.54 174.79 1cw3 h PRO 226 N -0.52 0.00 0.00 4.80 0.11 -1.97 0.81 132.00 135.23 1cw3 h PRO 226 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1cw3 h PRO 226 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1cw3 h PRO 226 CO 0.06 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.10 1cw3 n THR 227 N -3.62 0.00 -0.06 -1.15 -2.24 -1.25 -4.20 114.28 101.76 1cw3 n THR 227 Ca 0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1cw3 n THR 227 Cb 0.50 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.27 0.35 6.98 0.00 -1.52 -1.42 119.26 121.93 1cw3 h ALA 228 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cw3 h ALA 228 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1cw3 h ALA 228 CO 0.00 -0.19 -0.32 0.78 0.00 0.00 0.00 179.25 179.53 1cw3 h GLY 229 N 0.23 -0.75 2.00 0.00 0.00 -0.57 -2.23 103.07 101.74 1cw3 h GLY 229 Ca 0.07 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1cw3 h GLY 229 CO -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 176.54 176.20 1cw3 h ALA 230 N -0.17 1.71 -0.50 3.60 0.00 -1.01 -1.48 119.26 121.41 1cw3 h ALA 230 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1cw3 h ALA 230 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1cw3 h ALA 230 CO -0.04 0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.32 1cw3 h ALA 231 N 1.95 0.66 0.14 0.00 0.00 -0.76 -1.34 119.26 119.91 1cw3 h ALA 231 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1cw3 h ALA 231 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1cw3 h ALA 231 CO 0.01 0.43 -0.07 0.82 0.00 0.00 0.00 179.25 180.44 1cw3 h ILE 232 N 0.71 1.02 -0.22 0.00 2.04 -0.77 -0.77 117.51 119.51 1cw3 h ILE 232 Ca 0.15 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1cw3 h ILE 232 Cb 0.45 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1cw3 h ILE 232 CO 0.02 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.51 1cw3 h ALA 233 N 0.22 2.19 -0.01 1.87 0.00 -1.28 -2.36 119.26 119.90 1cw3 h ALA 233 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 233 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cw3 h ALA 233 CO 0.03 -0.25 -0.65 0.43 0.00 0.00 0.00 179.25 178.81 1cw3 n SER 234 N -4.47 1.68 -4.72 0.00 7.64 -0.51 -3.80 113.62 109.44 1cw3 n SER 234 Ca 0.02 -1.34 -0.42 0.00 1.01 0.00 0.00 58.87 58.14 1cw3 n SER 234 Cb 0.30 0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 64.12 1cw3 n SER 234 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1cw3 n HIS 235 N -0.51 2.73 0.67 1.43 -0.00 -0.30 -4.71 115.22 114.53 1cw3 n HIS 235 Ca 0.07 0.08 0.08 0.00 -0.00 0.00 0.00 57.72 57.95 1cw3 n HIS 235 Cb 0.42 -2.66 0.39 0.00 -0.00 0.00 0.00 29.99 28.14 1cw3 n HIS 235 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1cw3 n GLU 236 N 3.74 0.09 -0.05 1.57 4.07 -1.26 -3.08 120.64 125.72 1cw3 n GLU 236 Ca 0.15 0.18 0.03 0.00 -0.06 0.00 0.00 57.16 57.46 1cw3 n GLU 236 Cb 0.35 -1.50 0.06 0.00 -0.06 0.00 0.00 31.44 30.28 1cw3 n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1cw3 n ASP 237 N -1.42 2.24 -4.59 4.31 2.03 -1.26 -4.83 116.55 113.03 1cw3 n ASP 237 Ca 0.06 -2.27 -0.39 0.00 0.52 0.00 0.00 54.79 52.71 1cw3 n ASP 237 Cb 0.18 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 1cw3 n ASP 237 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1cw3 s VAL 238 N -1.47 5.24 0.01 5.18 1.01 -1.18 -4.77 120.40 124.42 1cw3 s VAL 238 Ca 0.11 0.30 0.15 0.00 0.00 0.00 0.00 61.98 62.54 1cw3 s VAL 238 Cb 0.09 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1cw3 s VAL 238 CO 0.03 0.17 1.52 0.44 0.00 0.00 0.00 175.10 177.26 1cw3 h ASP 239 N 8.30 0.00 -4.80 3.32 3.32 -1.48 -3.43 116.42 121.66 1cw3 h ASP 239 Ca -0.33 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1cw3 h ASP 239 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 1cw3 h ASP 239 CO 0.61 0.54 -0.16 -0.75 -1.72 0.00 0.00 179.24 177.76 1cw3 s LYS 240 N -3.16 0.73 -0.03 3.56 2.36 -0.99 -1.59 119.74 120.61 1cw3 s LYS 240 Ca 0.02 0.05 0.03 0.00 -2.55 0.00 0.00 55.97 53.52 1cw3 s LYS 240 Cb 0.09 0.33 -0.00 0.00 -1.05 0.00 0.00 37.83 37.21 1cw3 s LYS 240 CO 0.74 -0.20 -0.13 0.54 1.55 0.00 0.00 175.35 177.86 1cw3 s VAL 241 N -1.03 1.06 -0.15 4.02 0.11 0.38 -0.58 120.40 124.21 1cw3 s VAL 241 Ca -0.11 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1cw3 s VAL 241 Cb -0.04 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1cw3 s VAL 241 CO 0.05 0.32 -0.13 0.00 -3.33 0.00 0.00 175.10 172.00 1cw3 s ALA 242 N 0.10 1.78 0.01 1.54 0.00 -0.47 -2.57 121.76 122.15 1cw3 s ALA 242 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1cw3 s ALA 242 Cb -0.09 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1cw3 s ALA 242 CO 0.01 -0.40 -0.23 0.12 0.00 0.00 0.00 175.76 175.26 1cw3 s PHE 243 N 1.52 2.05 -0.11 0.00 5.36 -0.95 -0.99 117.98 124.86 1cw3 s PHE 243 Ca 0.05 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1cw3 s PHE 243 Cb -0.13 -1.27 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1cw3 s PHE 243 CO -0.10 0.04 -0.01 0.99 -1.46 0.00 0.00 175.22 174.67 1cw3 s THR 244 N -0.67 0.61 -2.40 0.12 2.01 -0.54 -0.61 115.64 114.17 1cw3 s THR 244 Ca 0.09 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1cw3 s THR 244 Cb -0.09 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1cw3 s THR 244 CO 0.00 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1cw3 n GLY 245 N 5.06 -0.64 3.77 4.40 0.00 -0.53 -3.16 105.19 114.10 1cw3 n GLY 245 Ca -0.09 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 6.01 0.36 1.61 1.04 -1.26 -3.16 113.70 114.31 1cw3 s SER 246 Ca 0.00 2.35 0.05 0.00 0.48 0.00 0.00 55.95 58.83 1cw3 s SER 246 Cb 0.00 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.24 1cw3 s SER 246 CO 0.00 -1.03 1.97 0.74 0.98 0.00 0.00 173.24 175.91 1cw3 h THR 247 N 1.75 1.05 0.01 2.02 2.02 -1.92 -1.31 112.91 116.53 1cw3 h THR 247 Ca -0.50 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.45 1cw3 h THR 247 Cb 1.26 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1cw3 h THR 247 CO 0.59 0.14 -0.23 -0.08 0.37 0.00 0.00 175.52 176.32 1cw3 h GLU 248 N 0.77 -0.35 0.00 6.66 4.81 -1.95 -2.15 114.58 122.36 1cw3 h GLU 248 Ca 0.29 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1cw3 h GLU 248 Cb 0.17 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1cw3 h GLU 248 CO -0.09 -0.23 -0.37 0.82 -0.73 0.00 0.00 179.01 178.41 1cw3 h ILE 249 N -0.36 0.94 -0.87 2.32 1.08 -1.80 -2.86 117.51 115.95 1cw3 h ILE 249 Ca 0.06 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.10 1cw3 h ILE 249 Cb 0.44 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 1cw3 h ILE 249 CO -0.20 0.36 0.58 1.23 -0.69 0.00 0.00 178.15 179.43 1cw3 h GLY 250 N 1.84 1.24 1.34 5.37 0.00 -0.63 0.52 103.07 112.75 1cw3 h GLY 250 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1cw3 h GLY 250 CO 0.05 0.40 -0.21 3.21 0.00 0.00 0.00 176.54 179.99 1cw3 h ARG 251 N 1.13 0.76 -0.59 4.80 3.08 -1.22 -1.24 114.38 121.09 1cw3 h ARG 251 Ca 0.34 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1cw3 h ARG 251 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1cw3 h ARG 251 CO -0.09 0.91 0.18 0.28 -1.07 0.00 0.00 179.97 180.18 1cw3 h VAL 252 N 0.67 1.24 -0.19 2.04 2.07 -1.17 -1.73 116.25 119.18 1cw3 h VAL 252 Ca 0.09 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1cw3 h VAL 252 Cb 0.72 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1cw3 h VAL 252 CO 0.06 0.31 0.08 0.40 0.02 0.00 0.00 177.57 178.44 1cw3 h ILE 253 N 0.83 1.16 -0.42 4.57 1.08 -0.64 -0.93 117.51 123.17 1cw3 h ILE 253 Ca 0.19 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1cw3 h ILE 253 Cb 0.30 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1cw3 h ILE 253 CO -0.00 0.15 -0.00 -0.61 -0.69 0.00 0.00 178.15 177.00 1cw3 h GLN 254 N 0.16 0.68 -0.32 2.37 4.15 -1.13 -1.39 115.11 119.63 1cw3 h GLN 254 Ca 0.06 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 1cw3 h GLN 254 Cb 0.17 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1cw3 h GLN 254 CO -0.01 0.70 -0.00 0.28 -1.93 0.00 0.00 178.83 177.87 1cw3 h VAL 255 N 0.64 1.26 -0.54 2.39 2.07 -1.19 -2.46 116.25 118.42 1cw3 h VAL 255 Ca 0.13 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1cw3 h VAL 255 Cb 0.40 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1cw3 h VAL 255 CO 0.02 0.31 0.25 0.00 0.02 0.00 0.00 177.57 178.17 1cw3 h ALA 256 N 0.85 0.70 -0.63 1.67 0.00 -0.79 -0.53 119.26 120.53 1cw3 h ALA 256 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cw3 h ALA 256 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1cw3 h ALA 256 CO 0.02 -0.12 0.40 0.00 0.00 0.00 0.00 179.25 179.55 1cw3 h ALA 257 N 1.32 0.80 0.00 0.00 0.00 -1.14 -0.53 119.26 119.71 1cw3 h ALA 257 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1cw3 h ALA 257 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1cw3 h ALA 257 CO -0.20 0.25 -0.52 0.78 0.00 0.00 0.00 179.25 179.55 1cw3 h GLY 258 N 0.85 0.00 1.96 0.00 0.00 -0.95 -0.69 103.07 104.24 1cw3 h GLY 258 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 1cw3 h GLY 258 CO -0.05 0.00 -0.58 1.76 0.00 0.00 0.00 176.54 177.67 1cw3 h SER 259 N 0.00 0.00 0.00 0.19 0.02 -0.69 -3.42 113.55 109.64 1cw3 h SER 259 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1cw3 h SER 259 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1cw3 h SER 259 CO 0.07 0.55 0.00 -1.54 -1.14 0.00 0.00 176.83 174.76 1cw3 n SER 260 N -3.22 0.00 -1.41 3.07 3.41 -0.24 -4.95 113.62 110.28 1cw3 n SER 260 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1cw3 n SER 260 Cb 0.76 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 65.01 1cw3 n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1cw3 n ASN 261 N 0.00 4.14 -2.57 4.04 6.94 -1.24 -4.92 115.26 121.65 1cw3 n ASN 261 Ca 0.00 -2.40 -0.19 0.00 -0.02 0.00 0.00 54.58 51.97 1cw3 n ASN 261 Cb 0.00 -0.54 0.03 0.00 -2.36 0.00 0.00 39.78 36.91 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 0.90 -2.48 -4.72 -4.53 4.77 -0.27 -4.97 117.00 105.70 1cw3 n LEU 262 Ca 0.22 -0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1cw3 n LEU 262 Cb 0.79 -2.63 0.08 0.00 -2.33 0.00 0.00 43.42 39.33 1cw3 n LEU 262 CO 0.21 0.17 0.87 -1.59 -1.33 0.00 0.00 177.39 175.72 1cw3 s LYS 263 N -5.48 2.34 0.33 3.23 -2.85 -1.25 -4.96 119.74 111.10 1cw3 s LYS 263 Ca 0.24 1.97 -0.28 0.00 -1.00 0.00 0.00 55.97 56.90 1cw3 s LYS 263 Cb -0.11 -1.83 -0.09 0.00 -2.06 0.00 0.00 37.83 33.74 1cw3 s LYS 263 CO 0.30 -1.74 1.17 1.03 0.10 0.00 0.00 175.35 176.22 1cw3 s ARG 264 N -3.57 4.40 -0.01 1.78 3.00 -0.62 -4.85 118.95 119.08 1cw3 s ARG 264 Ca 0.80 1.92 0.04 0.00 0.00 0.00 0.00 55.73 58.49 1cw3 s ARG 264 Cb -0.35 -3.01 -0.01 0.00 0.00 0.00 0.00 34.95 31.58 1cw3 s ARG 264 CO 0.42 -0.04 -0.12 0.08 0.00 0.00 0.00 175.30 175.64 1cw3 s VAL 265 N -1.23 0.99 -0.01 3.52 1.01 -1.26 -0.47 120.40 122.95 1cw3 s VAL 265 Ca 0.49 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1cw3 s VAL 265 Cb -0.34 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1cw3 s VAL 265 CO 0.44 0.28 -0.03 0.42 0.00 0.00 0.00 175.10 176.21 1cw3 s THR 266 N -0.22 0.25 -0.02 3.92 -4.23 -1.06 -4.91 115.64 109.37 1cw3 s THR 266 Ca 0.03 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1cw3 s THR 266 Cb -0.06 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.53 1cw3 s THR 266 CO -0.00 0.09 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.26 1cw3 s LEU 267 N 0.20 1.97 -0.49 4.79 1.43 -0.71 -2.25 118.68 123.62 1cw3 s LEU 267 Ca -0.02 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1cw3 s LEU 267 Cb -0.04 -0.82 0.13 0.00 0.03 0.00 0.00 46.19 45.48 1cw3 s LEU 267 CO -0.00 0.17 0.23 -1.61 0.23 0.00 0.00 176.35 175.37 1cw3 s GLU 268 N -0.20 1.83 0.00 1.70 0.41 0.22 -1.15 118.70 121.51 1cw3 s GLU 268 Ca 0.02 -2.46 0.00 0.00 -0.41 0.00 0.00 54.97 52.13 1cw3 s GLU 268 Cb -0.08 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1cw3 s GLU 268 CO 0.00 -1.10 0.00 1.28 -0.49 0.00 0.00 175.26 174.96 1cw3 n LEU 269 N 3.29 0.00 0.00 1.80 4.77 0.19 -1.45 117.00 125.61 1cw3 n LEU 269 Ca 0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1cw3 n LEU 269 Cb 0.33 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1cw3 n LEU 269 CO 0.31 -0.07 0.17 0.61 -1.33 0.00 0.00 177.39 177.09 1cw3 n GLY 270 N 5.00 0.31 3.80 -0.72 0.00 -1.19 -4.79 105.19 107.59 1cw3 n GLY 270 Ca 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 2.90 0.82 2.44 -0.02 0.00 -1.21 -4.37 105.19 105.76 1cw3 n GLY 271 Ca 0.04 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 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 0.90 -2.03 1.61 3.00 -1.26 -4.50 118.16 115.26 1cw3 n LYS 272 Ca -0.06 -2.64 -0.42 0.00 -0.00 0.00 0.00 58.31 55.19 1cw3 n LYS 272 Cb 0.59 -1.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 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 -1.72 6.69 -0.06 3.14 0.01 -1.23 -4.73 113.70 115.80 1cw3 s SER 273 Ca 0.32 2.43 -0.26 0.00 1.31 0.00 0.00 55.95 59.76 1cw3 s SER 273 Cb 0.28 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1cw3 s SER 273 CO -0.11 -0.79 0.82 -2.16 0.41 0.00 0.00 173.24 171.42 1cw3 s PRO 274 N 1.78 4.46 -0.46 12.44 0.04 -1.26 -2.00 135.00 150.01 1cw3 s PRO 274 Ca 0.69 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 1cw3 s PRO 274 Cb -0.39 -3.47 0.11 0.00 0.04 0.00 0.00 34.50 30.78 1cw3 s PRO 274 CO 0.31 -0.04 0.32 1.21 0.04 0.00 0.00 177.00 178.84 1cw3 s ASN 275 N 0.93 5.69 -0.36 6.66 3.04 0.56 -1.21 114.94 130.25 1cw3 s ASN 275 Ca 0.43 -1.79 -0.21 0.00 0.04 0.00 0.00 52.86 51.33 1cw3 s ASN 275 Cb -0.19 -2.01 0.00 0.00 -1.54 0.00 0.00 41.25 37.52 1cw3 s ASN 275 CO 0.21 -0.65 0.66 -0.63 -3.04 0.00 0.00 177.10 173.65 1cw3 s ILE 276 N 1.39 4.86 -0.46 -5.21 1.01 0.25 -0.85 121.20 122.19 1cw3 s ILE 276 Ca 0.05 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 1cw3 s ILE 276 Cb -0.25 -4.11 0.09 0.00 0.01 0.00 0.00 42.46 38.20 1cw3 s ILE 276 CO 0.00 -0.35 0.34 -0.63 0.00 0.00 0.00 174.94 174.31 1cw3 s ILE 277 N 2.79 4.63 0.71 2.92 -1.09 0.97 -0.72 121.20 131.41 1cw3 s ILE 277 Ca 0.26 -1.38 -0.11 0.00 -2.23 0.00 0.00 60.65 57.19 1cw3 s ILE 277 Cb -0.14 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1cw3 s ILE 277 CO 0.15 -0.62 1.06 -0.04 -1.23 0.00 0.00 174.94 174.27 1cw3 s MET 278 N 1.50 2.84 0.53 2.79 -1.94 -0.51 -1.99 119.30 122.52 1cw3 s MET 278 Ca 0.04 0.92 0.30 0.00 -1.71 0.00 0.00 55.69 55.24 1cw3 s MET 278 Cb -0.25 -1.98 1.45 0.00 2.01 0.00 0.00 34.83 36.06 1cw3 s MET 278 CO 0.03 -1.16 2.04 0.66 -0.01 0.00 0.00 175.02 176.59 1cw3 h SER 279 N -0.76 0.00 -0.35 3.03 4.64 -1.90 -2.67 113.55 115.54 1cw3 h SER 279 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1cw3 h SER 279 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1cw3 h SER 279 CO 0.57 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1cw3 n ASP 280 N -3.41 2.60 -4.86 4.97 5.68 -1.26 -4.92 116.55 115.35 1cw3 n ASP 280 Ca -0.01 -2.19 -0.31 0.00 -0.50 0.00 0.00 54.79 51.77 1cw3 n ASP 280 Cb 0.27 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.66 3.11 -0.62 2.12 0.00 -1.01 -3.56 121.76 120.14 1cw3 s ALA 281 Ca 0.27 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 1cw3 s ALA 281 Cb 0.17 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1cw3 s ALA 281 CO 0.14 -0.43 1.79 0.34 0.00 0.00 0.00 175.76 177.59 1cw3 s ASP 282 N -3.62 5.39 0.15 0.00 2.15 -1.26 -4.90 116.67 114.58 1cw3 s ASP 282 Ca 0.56 0.26 -0.31 0.00 0.43 0.00 0.00 52.55 53.50 1cw3 s ASP 282 Cb -0.10 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.92 1cw3 s ASP 282 CO 0.42 -2.30 1.55 -0.03 -0.17 0.00 0.00 175.17 174.64 1cw3 h MET 283 N 14.33 -0.25 -0.33 4.34 1.85 -1.94 0.13 114.93 133.06 1cw3 h MET 283 Ca -0.26 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 58.91 1cw3 h MET 283 Cb 1.15 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 33.17 1cw3 h MET 283 CO 1.22 -0.16 -0.11 -0.44 -0.40 0.00 0.00 176.91 177.02 1cw3 h ASP 284 N -0.26 -0.40 0.05 1.39 3.32 -2.00 -0.23 116.42 118.30 1cw3 h ASP 284 Ca 0.12 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1cw3 h ASP 284 Cb 0.54 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1cw3 h ASP 284 CO -0.71 -0.14 -0.02 -0.25 -1.72 0.00 0.00 179.24 176.39 1cw3 h TRP 285 N -0.04 -0.06 -0.69 4.55 -0.00 -1.82 -2.02 115.95 115.86 1cw3 h TRP 285 Ca 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1cw3 h TRP 285 Cb 0.29 0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1cw3 h TRP 285 CO -0.33 0.03 0.42 0.00 -0.00 0.00 0.00 178.44 178.56 1cw3 h ALA 286 N 0.82 1.45 -0.23 2.65 0.00 -0.51 0.63 119.26 124.07 1cw3 h ALA 286 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1cw3 h ALA 286 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cw3 h ALA 286 CO 0.01 0.48 -0.06 0.28 0.00 0.00 0.00 179.25 179.96 1cw3 h VAL 287 N 0.94 1.29 -0.30 0.00 2.07 -0.87 0.15 116.25 119.53 1cw3 h VAL 287 Ca 0.25 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.56 1cw3 h VAL 287 Cb -0.06 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1cw3 h VAL 287 CO -0.05 0.33 -0.39 -0.08 0.02 0.00 0.00 177.57 177.41 1cw3 h GLU 288 N 0.18 0.69 -0.12 1.57 4.57 -1.05 -2.09 114.58 118.34 1cw3 h GLU 288 Ca 0.06 -0.35 -0.20 0.00 -1.18 0.00 0.00 59.36 57.69 1cw3 h GLU 288 Cb 0.53 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1cw3 h GLU 288 CO 0.02 0.96 -0.73 1.96 -1.18 0.00 0.00 179.01 180.05 1cw3 h GLN 289 N 0.57 0.56 -0.54 1.92 1.08 -0.87 -2.17 115.11 115.66 1cw3 h GLN 289 Ca 0.05 -0.45 -0.08 0.00 -1.45 0.00 0.00 58.65 56.73 1cw3 h GLN 289 Cb 0.92 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 1cw3 h GLN 289 CO 0.08 1.07 0.02 0.00 -0.95 0.00 0.00 178.83 179.05 1cw3 h ALA 290 N 0.80 1.02 -0.14 3.87 0.00 -0.88 0.35 119.26 124.29 1cw3 h ALA 290 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cw3 h ALA 290 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1cw3 h ALA 290 CO 0.14 0.61 0.06 1.25 0.00 0.00 0.00 179.25 181.30 1cw3 h HIS 291 N 0.84 0.21 -0.38 0.00 -0.00 -1.31 -2.76 115.15 111.75 1cw3 h HIS 291 Ca 0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1cw3 h HIS 291 Cb 0.47 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1cw3 h HIS 291 CO 0.03 0.29 0.17 0.35 -0.00 0.00 0.00 177.93 178.77 1cw3 h PHE 292 N 0.07 0.56 -0.91 5.26 3.04 -1.18 -0.52 116.94 123.26 1cw3 h PHE 292 Ca 0.05 -0.03 0.24 0.00 3.98 0.00 0.00 57.97 62.21 1cw3 h PHE 292 Cb 0.16 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 1cw3 h PHE 292 CO -0.02 0.48 0.63 0.00 -2.02 0.00 0.00 178.31 177.39 1cw3 h ALA 293 N 1.02 2.59 0.00 2.41 0.00 -0.08 -1.70 119.26 123.50 1cw3 h ALA 293 Ca 0.13 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 1cw3 h ALA 293 Cb 0.14 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1cw3 h ALA 293 CO -0.01 -0.87 -1.97 -0.11 0.00 0.00 0.00 179.25 176.28 1cw3 n LEU 294 N -4.37 1.62 0.00 0.00 0.00 -1.06 -0.84 117.00 112.34 1cw3 n LEU 294 Ca 0.19 0.28 0.09 0.00 0.00 0.00 0.00 56.01 56.57 1cw3 n LEU 294 Cb 0.87 -0.66 0.42 0.00 0.00 0.00 0.00 43.42 44.05 1cw3 n LEU 294 CO 0.35 0.30 0.78 0.49 0.00 0.00 0.00 177.39 179.31 1cw3 n PHE 295 N -4.06 0.00 -1.73 1.96 3.01 -0.22 -3.75 117.46 112.67 1cw3 n PHE 295 Ca -0.38 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.66 1cw3 n PHE 295 Cb 0.74 -0.39 -0.01 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.39 2.70 -3.73 1.38 -0.00 -0.64 -2.74 117.46 113.03 1cw3 n PHE 296 Ca 0.06 0.34 -0.23 0.00 -0.00 0.00 0.00 57.45 57.63 1cw3 n PHE 296 Cb 0.18 -2.55 0.03 0.00 -0.00 0.00 0.00 39.48 37.13 1cw3 n PHE 296 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1cw3 n ASN 297 N 1.82 -1.52 -2.23 -2.13 5.15 -1.26 -0.88 115.26 114.22 1cw3 n ASN 297 Ca 0.08 -0.87 -0.15 0.00 -0.60 0.00 0.00 54.58 53.04 1cw3 n ASN 297 Cb 0.36 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.73 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 -4.25 -1.89 -0.90 1.20 3.00 -1.11 -0.05 117.38 113.39 1cw3 n GLN 298 Ca -0.28 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1cw3 n GLN 298 Cb 0.67 -5.34 0.00 0.00 0.00 0.00 0.00 30.24 25.57 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 -0.76 0.64 2.66 1.08 0.00 -0.06 -3.10 105.19 105.66 1cw3 n GLY 299 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1cw3 n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cw3 n GLN 300 N -1.98 4.08 -4.07 1.61 6.02 0.93 -3.33 117.38 120.65 1cw3 n GLN 300 Ca 0.00 -3.45 -0.18 0.00 -0.01 0.00 0.00 57.00 53.36 1cw3 n GLN 300 Cb 0.03 -2.78 -0.16 0.00 1.02 0.00 0.00 30.24 28.35 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 -0.39 2.56 -2.30 0.00 0.00 -0.68 -4.79 120.51 114.91 1cw3 n ALA 304 Ca 0.46 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.95 1cw3 n ALA 304 Cb 1.46 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 1.04 0.83 0.00 0.00 0.00 -0.02 -3.51 107.32 105.65 1cw3 s GLY 305 Ca 0.74 -2.49 0.16 0.00 0.00 0.00 0.00 44.72 43.12 1cw3 s GLY 305 CO 0.35 3.19 1.43 -1.14 0.00 0.00 0.00 173.10 176.93 1cw3 n SER 306 N 11.71 1.38 -3.57 1.64 3.41 -0.84 -4.36 113.62 122.98 1cw3 n SER 306 Ca 0.47 -1.79 -0.29 0.00 -0.26 0.00 0.00 58.87 57.00 1cw3 n SER 306 Cb 0.46 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 1cw3 n SER 306 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1cw3 s ARG 307 N -1.75 1.04 -0.76 4.33 0.52 -1.11 -4.11 118.95 117.11 1cw3 s ARG 307 Ca 0.26 -1.91 -0.22 0.00 -0.52 0.00 0.00 55.73 53.34 1cw3 s ARG 307 Cb 0.14 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.82 1cw3 s ARG 307 CO 0.20 -1.24 1.09 0.99 0.02 0.00 0.00 175.30 176.36 1cw3 s THR 308 N 0.38 4.28 -0.02 0.02 2.01 -0.01 -0.32 115.64 121.98 1cw3 s THR 308 Ca 0.22 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.41 1cw3 s THR 308 Cb -0.16 -4.77 -0.03 0.00 0.01 0.00 0.00 72.50 67.55 1cw3 s THR 308 CO -0.06 -1.57 0.87 -0.36 -0.69 0.00 0.00 174.62 172.81 1cw3 s PHE 309 N 4.11 3.64 -0.05 4.92 0.40 -0.03 -0.95 117.98 130.03 1cw3 s PHE 309 Ca 0.28 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 58.17 1cw3 s PHE 309 Cb -0.12 -2.99 0.01 0.00 0.51 0.00 0.00 43.02 40.43 1cw3 s PHE 309 CO 0.05 0.04 -0.12 0.08 0.70 0.00 0.00 175.22 175.97 1cw3 s VAL 310 N 0.88 1.09 0.34 -0.44 1.01 0.32 -0.02 120.40 123.59 1cw3 s VAL 310 Ca 0.46 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1cw3 s VAL 310 Cb -0.20 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.10 1cw3 s VAL 310 CO 0.24 0.34 1.41 -1.58 0.00 0.00 0.00 175.10 175.51 1cw3 s GLN 311 N 0.38 4.22 0.42 2.72 -0.44 -0.84 -1.87 119.66 124.25 1cw3 s GLN 311 Ca -0.09 2.40 0.18 0.00 -2.50 0.00 0.00 55.36 55.35 1cw3 s GLN 311 Cb -0.13 -3.03 1.08 0.00 -1.64 0.00 0.00 33.01 29.30 1cw3 s GLN 311 CO 0.02 -0.39 1.85 1.05 0.50 0.00 0.00 175.29 178.33 1cw3 h GLU 312 N 3.42 0.40 -0.26 1.67 4.11 -1.30 -1.30 114.58 121.31 1cw3 h GLU 312 Ca -0.49 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.88 1cw3 h GLU 312 Cb 1.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1cw3 h GLU 312 CO 0.67 0.26 0.01 -0.44 0.07 0.00 0.00 179.01 179.58 1cw3 h ASP 313 N 0.41 0.36 -0.33 3.06 3.32 -1.91 -2.84 116.42 118.49 1cw3 h ASP 313 Ca 0.48 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1cw3 h ASP 313 Cb 1.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1cw3 h ASP 313 CO -0.19 0.41 0.00 2.30 -1.72 0.00 0.00 179.24 180.04 1cw3 n ILE 314 N -4.34 0.90 0.11 0.35 -5.35 -0.83 -4.79 119.36 105.40 1cw3 n ILE 314 Ca 0.01 -0.95 -0.10 0.00 -0.27 0.00 0.00 62.75 61.44 1cw3 n ILE 314 Cb 0.20 0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 38.62 1cw3 n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1cw3 h TYR 315 N 2.18 -0.89 -0.61 4.28 5.03 -1.00 -0.98 116.97 124.98 1cw3 h TYR 315 Ca 0.00 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.40 1cw3 h TYR 315 Cb 0.72 0.37 -0.06 0.00 1.55 0.00 0.00 36.73 39.31 1cw3 h TYR 315 CO 0.22 -0.37 0.29 -0.44 -1.32 0.00 0.00 178.16 176.54 1cw3 h ASP 316 N -0.51 0.40 -0.35 -2.11 3.32 -1.87 0.01 116.42 115.31 1cw3 h ASP 316 Ca -0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1cw3 h ASP 316 Cb 0.48 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1cw3 h ASP 316 CO -0.13 0.25 0.17 -0.08 -1.72 0.00 0.00 179.24 177.74 1cw3 h GLU 317 N 0.54 0.51 -0.21 3.56 4.81 -1.89 0.07 114.58 121.98 1cw3 h GLU 317 Ca 0.28 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1cw3 h GLU 317 Cb 0.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1cw3 h GLU 317 CO -0.22 0.46 0.11 0.35 -0.73 0.00 0.00 179.01 178.98 1cw3 h PHE 318 N 0.43 0.20 0.26 0.92 3.57 -0.70 -0.97 116.94 120.65 1cw3 h PHE 318 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1cw3 h PHE 318 Cb 0.12 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1cw3 h PHE 318 CO -0.01 0.12 -0.13 0.28 -2.23 0.00 0.00 178.31 176.34 1cw3 h VAL 319 N 0.23 0.73 -0.51 1.41 2.07 -0.82 -0.04 116.25 119.33 1cw3 h VAL 319 Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1cw3 h VAL 319 Cb 0.01 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1cw3 h VAL 319 CO -0.05 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.44 1cw3 h GLU 320 N -0.35 0.09 -0.66 1.57 4.81 -0.80 0.52 114.58 119.75 1cw3 h GLU 320 Ca -0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1cw3 h GLU 320 Cb 0.28 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1cw3 h GLU 320 CO 0.05 0.06 0.24 0.00 -0.73 0.00 0.00 179.01 178.63 1cw3 h ARG 321 N 0.09 1.01 -0.33 1.92 3.08 -0.98 -2.26 114.38 116.92 1cw3 h ARG 321 Ca 0.26 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1cw3 h ARG 321 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1cw3 h ARG 321 CO -0.45 0.86 -0.29 0.77 -1.07 0.00 0.00 179.97 179.79 1cw3 h SER 322 N 0.95 0.70 -0.29 7.04 0.02 0.01 -0.98 113.55 121.00 1cw3 h SER 322 Ca 0.22 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1cw3 h SER 322 Cb 0.25 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1cw3 h SER 322 CO -0.01 0.95 -0.19 0.58 -1.14 0.00 0.00 176.83 177.02 1cw3 h VAL 323 N 0.58 1.27 -0.41 2.27 2.07 -0.82 -0.04 116.25 121.17 1cw3 h VAL 323 Ca 0.07 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1cw3 h VAL 323 Cb 0.79 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1cw3 h VAL 323 CO 0.07 0.43 0.13 0.00 0.02 0.00 0.00 177.57 178.21 1cw3 h ALA 324 N 1.12 0.54 -0.60 1.67 0.00 -1.17 -0.86 119.26 119.96 1cw3 h ALA 324 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1cw3 h ALA 324 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cw3 h ALA 324 CO 0.05 0.19 0.07 -0.09 0.00 0.00 0.00 179.25 179.48 1cw3 h ARG 325 N 0.53 1.02 -0.53 0.00 9.65 -0.92 -2.39 114.38 121.73 1cw3 h ARG 325 Ca 0.13 -0.29 -0.10 0.00 -1.10 0.00 0.00 59.98 58.62 1cw3 h ARG 325 Cb 0.26 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1cw3 h ARG 325 CO -0.00 0.97 -0.07 0.00 2.80 0.00 0.00 179.97 183.67 1cw3 h ALA 326 N 1.01 0.73 -0.34 2.80 0.00 -0.82 -2.64 119.26 119.99 1cw3 h ALA 326 Ca 0.18 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1cw3 h ALA 326 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1cw3 h ALA 326 CO 0.02 0.61 -0.03 0.87 0.00 0.00 0.00 179.25 180.71 1cw3 h LYS 327 N 0.86 0.55 0.00 0.00 1.57 -1.05 -2.72 116.57 115.78 1cw3 h LYS 327 Ca 0.14 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1cw3 h LYS 327 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1cw3 h LYS 327 CO 0.04 0.60 -0.06 -1.13 -0.57 0.00 0.00 179.45 178.32 1cw3 n SER 328 N -4.25 0.52 -4.61 0.86 3.41 -0.91 -4.83 113.62 103.80 1cw3 n SER 328 Ca 0.01 0.49 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 1cw3 n SER 328 Cb 0.27 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 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 -3.07 3.38 -0.15 4.33 3.52 -1.01 -4.91 118.95 121.04 1cw3 s ARG 329 Ca 0.11 2.07 -0.29 0.00 -0.13 0.00 0.00 55.73 57.50 1cw3 s ARG 329 Cb 0.15 -4.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.21 1cw3 s ARG 329 CO 0.59 -1.81 1.54 0.08 -0.81 0.00 0.00 175.30 174.88 1cw3 s VAL 330 N 7.26 3.80 -0.16 7.11 1.01 -1.26 -4.91 120.40 133.25 1cw3 s VAL 330 Ca 0.95 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.82 1cw3 s VAL 330 Cb -0.34 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1cw3 s VAL 330 CO 0.36 -0.18 0.03 -0.69 0.00 0.00 0.00 175.10 174.62 1cw3 s VAL 331 N 4.36 4.51 -1.88 2.92 1.01 -1.26 -1.02 120.40 129.05 1cw3 s VAL 331 Ca 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1cw3 s VAL 331 Cb -0.27 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1cw3 s VAL 331 CO 0.26 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.46 1cw3 n GLY 332 N 3.27 -0.75 3.67 4.51 0.00 -0.85 -4.99 105.19 110.04 1cw3 n GLY 332 Ca -0.17 -0.84 -0.49 0.00 0.00 0.00 0.00 46.02 44.52 1cw3 n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cw3 n ASN 333 N 0.32 3.29 0.27 1.61 2.85 -1.26 -4.39 115.26 117.94 1cw3 n ASN 333 Ca 0.00 0.91 0.17 0.00 -0.11 0.00 0.00 54.58 55.55 1cw3 n ASN 333 Cb 0.00 -1.35 0.84 0.00 1.24 0.00 0.00 39.78 40.51 1cw3 n ASN 333 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1cw3 h PRO 334 N 9.54 0.00 0.00 1.20 0.13 -1.89 -0.68 132.00 140.30 1cw3 h PRO 334 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cw3 h PRO 334 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1cw3 h PRO 334 CO 0.96 0.00 -0.45 1.19 -0.23 0.00 0.00 178.00 179.46 1cw3 n PHE 335 N -3.18 0.59 -2.81 1.56 3.01 -1.26 -0.77 117.46 114.60 1cw3 n PHE 335 Ca 0.00 0.17 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1cw3 n PHE 335 Cb 0.40 -0.69 -0.04 0.00 -0.01 0.00 0.00 39.48 39.14 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 -4.18 6.80 0.58 4.37 -1.08 -0.26 -4.92 116.67 117.97 1cw3 s ASP 336 Ca 0.08 0.86 0.31 0.00 -0.52 0.00 0.00 52.55 53.28 1cw3 s ASP 336 Cb 0.14 -2.47 1.41 0.00 -1.46 0.00 0.00 42.92 40.54 1cw3 s ASP 336 CO 0.68 -0.72 1.77 0.77 0.52 0.00 0.00 175.17 178.19 1cw3 h SER 337 N 8.06 0.00 0.20 -0.34 4.64 -1.85 -0.05 113.55 124.21 1cw3 h SER 337 Ca -0.22 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 1cw3 h SER 337 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1cw3 h SER 337 CO 0.95 0.00 -0.34 0.50 -0.87 0.00 0.00 176.83 177.07 1cw3 h LYS 338 N 0.00 0.22 -6.37 4.77 1.63 -1.92 -3.45 116.57 111.46 1cw3 h LYS 338 Ca 0.39 -0.09 -0.59 0.00 -0.85 0.00 0.00 60.65 59.51 1cw3 h LYS 338 Cb 1.86 -0.01 0.03 0.00 -0.60 0.00 0.00 32.23 33.51 1cw3 h LYS 338 CO -0.00 0.54 1.04 2.41 -3.45 0.00 0.00 179.45 179.98 1cw3 n THR 339 N -4.09 0.43 -0.09 1.00 -1.04 -0.03 -4.79 114.28 105.66 1cw3 n THR 339 Ca -0.01 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 1cw3 n THR 339 Cb 0.42 -1.85 -0.16 0.00 -1.82 0.00 0.00 70.33 66.92 1cw3 n THR 339 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cw3 n GLU 340 N 5.79 0.70 -3.87 -2.82 1.02 -0.19 -4.91 120.64 116.37 1cw3 n GLU 340 Ca 0.20 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 1cw3 n GLU 340 Cb 0.31 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.57 0.45 0.00 3.49 0.74 -0.67 -4.87 119.66 116.22 1cw3 s GLN 341 Ca -0.10 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.41 1cw3 s GLN 341 Cb 0.07 -0.73 0.00 0.00 1.10 0.00 0.00 33.01 33.44 1cw3 s GLN 341 CO 0.83 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 1cw3 n GLY 342 N 4.68 1.04 3.93 2.59 0.00 -1.26 -2.00 105.19 114.16 1cw3 n GLY 342 Ca -0.15 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 1cw3 n GLY 342 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cw3 s PRO 343 N 2.01 2.37 0.66 1.61 0.04 -1.25 -4.76 135.00 135.68 1cw3 s PRO 343 Ca 0.00 -0.19 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 1cw3 s PRO 343 Cb 0.00 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1cw3 s PRO 343 CO 0.00 -1.11 1.05 -0.65 0.04 0.00 0.00 177.00 176.32 1cw3 s GLN 344 N -5.19 3.23 0.23 4.56 -1.52 0.41 -4.66 119.66 116.72 1cw3 s GLN 344 Ca 0.59 0.83 -0.07 0.00 -1.95 0.00 0.00 55.36 54.76 1cw3 s GLN 344 Cb -0.11 -2.03 0.38 0.00 -0.22 0.00 0.00 33.01 31.03 1cw3 s GLN 344 CO 0.45 -0.86 1.72 -0.24 -0.25 0.00 0.00 175.29 176.11 1cw3 h VAL 345 N -0.53 0.66 -3.43 1.09 3.04 -1.90 -3.43 116.25 111.76 1cw3 h VAL 345 Ca -0.44 -0.13 -0.15 0.00 -1.01 0.00 0.00 66.70 64.97 1cw3 h VAL 345 Cb 1.20 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1cw3 h VAL 345 CO 0.60 0.07 0.04 -0.90 -1.01 0.00 0.00 177.57 176.37 1cw3 n ASP 346 N -5.05 -1.65 -0.23 3.17 5.68 -1.26 -4.43 116.55 112.79 1cw3 n ASP 346 Ca 0.12 -2.62 -0.06 0.00 -0.50 0.00 0.00 54.79 51.73 1cw3 n ASP 346 Cb 0.37 2.88 0.04 0.00 -1.14 0.00 0.00 41.12 43.27 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 0.90 -0.07 0.11 4.81 -1.98 -1.96 114.58 116.39 1cw3 h GLU 347 Ca -0.28 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1cw3 h GLU 347 Cb 1.11 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 1cw3 h GLU 347 CO 0.36 0.69 -0.20 1.15 -0.73 0.00 0.00 179.01 180.28 1cw3 h THR 348 N 0.87 0.51 -0.50 0.32 2.02 -1.99 0.31 112.91 114.45 1cw3 h THR 348 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1cw3 h THR 348 Cb 0.06 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1cw3 h THR 348 CO -0.03 0.00 0.27 1.56 0.37 0.00 0.00 175.52 177.69 1cw3 h GLN 349 N -0.29 0.69 -0.44 6.66 1.08 -1.96 -0.80 115.11 120.05 1cw3 h GLN 349 Ca 0.08 -0.08 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1cw3 h GLN 349 Cb 0.40 -0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 27.61 1cw3 h GLN 349 CO -0.24 0.54 -0.13 0.35 -0.95 0.00 0.00 178.83 178.40 1cw3 h PHE 350 N 0.66 -0.30 -0.01 2.96 3.57 -0.81 0.74 116.94 123.75 1cw3 h PHE 350 Ca 0.17 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1cw3 h PHE 350 Cb 0.05 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1cw3 h PHE 350 CO -0.02 -0.22 0.00 0.87 -2.23 0.00 0.00 178.31 176.72 1cw3 h LYS 351 N -0.03 0.01 -0.86 1.11 1.79 -0.66 -2.56 116.57 115.36 1cw3 h LYS 351 Ca 0.21 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.75 1cw3 h LYS 351 Cb 0.36 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1cw3 h LYS 351 CO -0.47 0.25 0.56 -0.22 -1.08 0.00 0.00 179.45 178.49 1cw3 h LYS 352 N -0.23 0.92 -0.19 3.15 3.64 -0.66 -0.24 116.57 122.96 1cw3 h LYS 352 Ca 0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1cw3 h LYS 352 Cb 0.24 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1cw3 h LYS 352 CO 0.00 0.61 -0.08 0.82 -2.27 0.00 0.00 179.45 178.53 1cw3 h ILE 353 N 0.95 1.30 -0.47 2.00 2.04 -0.80 -2.13 117.51 120.40 1cw3 h ILE 353 Ca 0.38 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1cw3 h ILE 353 Cb 0.24 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1cw3 h ILE 353 CO -0.14 0.34 0.27 -0.07 0.00 0.00 0.00 178.15 178.55 1cw3 h LEU 354 N 0.09 0.56 -0.62 1.44 3.38 -1.03 -1.23 115.31 117.91 1cw3 h LEU 354 Ca 0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1cw3 h LEU 354 Cb 0.56 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1cw3 h LEU 354 CO 0.03 0.44 0.15 1.23 0.09 0.00 0.00 178.44 180.38 1cw3 h GLY 355 N 0.70 1.06 1.43 0.83 0.00 -0.84 -1.79 103.07 104.46 1cw3 h GLY 355 Ca 0.17 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1cw3 h GLY 355 CO -0.03 0.62 -0.21 -0.97 0.00 0.00 0.00 176.54 175.95 1cw3 h TYR 356 N 0.90 0.74 -0.39 5.60 0.99 -0.60 -1.09 116.97 123.12 1cw3 h TYR 356 Ca 0.19 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1cw3 h TYR 356 Cb 0.35 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.88 1cw3 h TYR 356 CO 0.03 0.82 0.21 0.82 -0.00 0.00 0.00 178.16 180.03 1cw3 h ILE 357 N 0.59 1.15 -0.35 -2.88 2.04 -0.96 0.29 117.51 117.38 1cw3 h ILE 357 Ca 0.09 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1cw3 h ILE 357 Cb 0.68 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1cw3 h ILE 357 CO 0.05 0.16 0.18 0.78 0.00 0.00 0.00 178.15 179.32 1cw3 h ASN 358 N 0.49 0.27 -0.40 1.72 2.35 -1.08 -1.68 115.58 117.25 1cw3 h ASN 358 Ca 0.14 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1cw3 h ASN 358 Cb 0.07 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1cw3 h ASN 358 CO -0.02 0.20 0.23 0.74 -1.65 0.00 0.00 177.43 176.93 1cw3 h THR 359 N 0.37 1.13 -0.28 2.81 2.02 -0.83 -0.96 112.91 117.17 1cw3 h THR 359 Ca 0.15 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1cw3 h THR 359 Cb 0.05 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1cw3 h THR 359 CO -0.10 0.14 0.02 1.23 0.37 0.00 0.00 175.52 177.19 1cw3 h GLY 360 N 0.65 0.52 0.94 2.16 0.00 -0.08 -1.30 103.07 105.96 1cw3 h GLY 360 Ca 0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1cw3 h GLY 360 CO -0.03 0.34 0.10 0.50 0.00 0.00 0.00 176.54 177.45 1cw3 h LYS 361 N 0.28 0.65 -0.98 4.80 1.57 -0.96 -1.93 116.57 120.01 1cw3 h LYS 361 Ca 0.08 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1cw3 h LYS 361 Cb 0.38 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1cw3 h LYS 361 CO 0.01 0.67 0.64 0.37 -0.57 0.00 0.00 179.45 180.57 1cw3 h GLN 362 N 0.52 1.29 0.00 3.15 5.75 -1.11 -2.38 115.11 122.33 1cw3 h GLN 362 Ca 0.13 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1cw3 h GLN 362 Cb 0.31 -0.29 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1cw3 h GLN 362 CO 0.00 0.86 0.00 0.39 -2.65 0.00 0.00 178.83 177.43 1cw3 n GLU 363 N -4.38 0.31 -0.06 1.69 1.02 -0.50 -4.88 120.64 113.84 1cw3 n GLU 363 Ca 0.11 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1cw3 n GLU 363 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1cw3 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw3 n GLY 364 N 0.70 0.88 3.75 0.62 0.00 -0.90 -5.05 105.19 105.20 1cw3 n GLY 364 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 3.45 -0.58 4.61 0.00 -0.74 -4.95 121.76 121.52 1cw3 s ALA 365 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 1cw3 s ALA 365 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1cw3 s ALA 365 CO 0.00 -0.36 1.29 0.21 0.00 0.00 0.00 175.76 176.90 1cw3 s LYS 366 N -1.06 3.41 -0.37 0.00 2.20 -0.61 -4.53 119.74 118.78 1cw3 s LYS 366 Ca 0.49 0.31 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 1cw3 s LYS 366 Cb -0.34 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 31.90 1cw3 s LYS 366 CO 0.42 -1.81 1.64 -1.17 -0.36 0.00 0.00 175.35 174.07 1cw3 s LEU 367 N 5.45 3.53 -0.06 5.43 2.96 -1.26 0.03 118.68 134.76 1cw3 s LEU 367 Ca 0.46 1.09 0.14 0.00 -0.22 0.00 0.00 54.13 55.60 1cw3 s LEU 367 Cb -0.09 -3.50 -0.23 0.00 0.50 0.00 0.00 46.19 42.87 1cw3 s LEU 367 CO 0.25 -1.61 0.60 0.18 -1.32 0.00 0.00 176.35 174.44 1cw3 n LEU 368 N 9.73 0.75 -3.57 -0.68 4.77 0.32 -4.97 117.00 123.35 1cw3 n LEU 368 Ca 0.20 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1cw3 n LEU 368 Cb 0.47 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1cw3 n LEU 368 CO 0.69 0.38 0.58 0.00 -1.33 0.00 0.00 177.39 177.72 1cw3 n GLY 370 N -0.36 3.10 0.70 0.00 0.00 -1.24 -2.64 105.19 104.76 1cw3 n GLY 370 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.80 1.85 -0.02 0.00 -1.26 -4.96 105.19 101.59 1cw3 n GLY 371 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.35 1.68 3.75 -0.02 0.00 -1.26 -4.96 105.19 102.03 1cw3 n GLY 372 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.56 3.29 -0.45 -0.61 1.01 -1.26 -1.25 121.20 119.37 1cw3 s ILE 373 Ca 0.09 1.15 0.23 0.00 0.00 0.00 0.00 60.65 62.12 1cw3 s ILE 373 Cb -0.02 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1cw3 s ILE 373 CO 0.07 0.21 1.05 0.00 0.00 0.00 0.00 174.94 176.27 1cw3 n ALA 374 N 2.02 2.96 -3.37 9.38 0.00 -0.31 -4.70 120.51 126.49 1cw3 n ALA 374 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 1cw3 n ALA 374 Cb 0.44 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.27 -1.22 -2.02 0.00 0.00 -1.25 -4.99 121.76 109.01 1cw3 s ALA 375 Ca 0.02 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1cw3 s ALA 375 Cb 0.13 -0.04 0.37 0.00 0.00 0.00 0.00 23.12 23.58 1cw3 s ALA 375 CO 0.79 -0.30 1.25 -0.40 0.00 0.00 0.00 175.76 177.10 1cw3 n ASP 376 N 1.28 0.32 -3.75 0.00 5.75 -1.26 -4.69 116.55 114.21 1cw3 n ASP 376 Ca -0.20 -1.83 -0.12 0.00 -0.01 0.00 0.00 54.79 52.63 1cw3 n ASP 376 Cb 0.56 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.93 0.33 0.00 0.11 3.52 -1.26 -5.11 118.95 114.61 1cw3 s ARG 377 Ca 0.12 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 1cw3 s ARG 377 Cb 0.06 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1cw3 s ARG 377 CO 0.09 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 1cw3 n GLY 378 N 3.41 -0.50 2.76 8.12 0.00 -1.25 -4.59 105.19 113.15 1cw3 n GLY 378 Ca -0.17 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.53 3.09 -3.08 1.61 4.02 -0.48 -4.94 117.16 116.86 1cw3 n TYR 379 Ca 0.00 -2.72 -0.40 0.00 -0.01 0.00 0.00 57.90 54.78 1cw3 n TYR 379 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 39.34 38.31 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 -4.03 3.51 -0.02 -0.72 0.40 -1.26 -0.44 117.98 115.41 1cw3 s PHE 380 Ca 0.46 1.13 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1cw3 s PHE 380 Cb 0.32 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 1cw3 s PHE 380 CO -0.25 0.01 -0.23 0.42 0.70 0.00 0.00 175.22 175.86 1cw3 s ILE 381 N 1.17 1.82 0.30 0.64 1.01 -1.26 -1.17 121.20 123.72 1cw3 s ILE 381 Ca 0.34 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1cw3 s ILE 381 Cb -0.17 -1.52 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 1cw3 s ILE 381 CO 0.15 0.52 1.27 -1.10 0.00 0.00 0.00 174.94 175.78 1cw3 s GLN 382 N -0.50 4.41 -0.15 2.79 -0.21 -0.38 -4.70 119.66 120.91 1cw3 s GLN 382 Ca 0.08 2.13 -0.30 0.00 0.02 0.00 0.00 55.36 57.28 1cw3 s GLN 382 Cb -0.09 -3.11 -0.08 0.00 1.00 0.00 0.00 33.01 30.73 1cw3 s GLN 382 CO -0.01 -0.13 2.12 -2.30 -2.12 0.00 0.00 175.29 172.86 1cw3 n PRO 383 N 1.12 2.12 -4.14 2.91 -0.02 -1.26 -4.12 135.00 131.62 1cw3 n PRO 383 Ca 0.01 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1cw3 n PRO 383 Cb 0.42 -3.03 -0.08 0.00 -0.02 0.00 0.00 33.50 30.80 1cw3 n PRO 383 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cw3 s THR 384 N 6.76 4.84 -0.06 3.45 2.01 0.28 -3.63 115.64 129.29 1cw3 s THR 384 Ca 0.98 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.87 1cw3 s THR 384 Cb -0.46 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1cw3 s THR 384 CO 0.40 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.13 1cw3 s VAL 385 N -1.01 0.72 -0.12 3.82 1.01 -1.08 -0.29 120.40 123.46 1cw3 s VAL 385 Ca 0.16 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1cw3 s VAL 385 Cb -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1cw3 s VAL 385 CO 0.06 0.27 -0.14 -0.36 0.00 0.00 0.00 175.10 174.93 1cw3 s PHE 386 N 0.98 2.77 0.32 5.22 0.40 0.68 -0.52 117.98 127.83 1cw3 s PHE 386 Ca -0.10 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.65 1cw3 s PHE 386 Cb -0.14 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1cw3 s PHE 386 CO 0.00 -0.21 0.24 0.20 0.70 0.00 0.00 175.22 176.15 1cw3 s GLY 387 N 0.27 1.72 -1.46 4.36 0.00 0.10 -1.50 107.32 110.82 1cw3 s GLY 387 Ca -0.10 -1.63 -0.10 0.00 0.00 0.00 0.00 44.72 42.89 1cw3 s GLY 387 CO 0.06 -1.59 0.86 1.22 0.00 0.00 0.00 173.10 173.66 1cw3 n ASP 388 N -1.28 -5.37 -4.75 1.64 8.00 -1.06 -1.57 116.55 112.15 1cw3 n ASP 388 Ca -0.03 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.52 1cw3 n ASP 388 Cb 0.60 -4.30 -0.04 0.00 -0.02 0.00 0.00 41.12 37.36 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 -3.22 3.39 0.10 2.53 1.01 -1.06 -4.71 120.40 118.43 1cw3 s VAL 389 Ca 0.52 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.87 1cw3 s VAL 389 Cb -0.25 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1cw3 s VAL 389 CO 0.64 0.29 0.10 -1.10 0.00 0.00 0.00 175.10 175.03 1cw3 s GLN 390 N -1.19 2.92 0.27 2.72 -1.52 -1.26 -4.54 119.66 117.05 1cw3 s GLN 390 Ca 0.47 -0.71 -0.00 0.00 -1.95 0.00 0.00 55.36 53.17 1cw3 s GLN 390 Cb -0.33 -2.73 0.53 0.00 -0.22 0.00 0.00 33.01 30.26 1cw3 s GLN 390 CO 0.42 0.55 1.80 -0.44 -0.25 0.00 0.00 175.29 177.37 1cw3 h ASP 391 N 3.11 0.75 0.59 5.90 3.32 -1.96 -2.38 116.42 125.74 1cw3 h ASP 391 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1cw3 h ASP 391 Cb 1.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1cw3 h ASP 391 CO 0.66 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.16 1cw3 n GLY 392 N -1.33 -1.09 3.79 2.75 0.00 -1.26 -4.50 105.19 103.54 1cw3 n GLY 392 Ca 0.18 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1cw3 n GLY 392 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cw3 s MET 393 N -3.05 3.59 0.19 1.61 -1.94 -0.90 -4.96 119.30 113.85 1cw3 s MET 393 Ca 0.07 1.48 -0.12 0.00 -1.71 0.00 0.00 55.69 55.42 1cw3 s MET 393 Cb 0.10 -2.05 0.13 0.00 2.01 0.00 0.00 34.83 35.02 1cw3 s MET 393 CO 0.31 -0.63 1.85 1.15 -0.01 0.00 0.00 175.02 177.69 1cw3 h THR 394 N 1.39 1.14 0.00 2.05 2.02 -1.89 -1.56 112.91 116.06 1cw3 h THR 394 Ca -0.50 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1cw3 h THR 394 Cb 1.24 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1cw3 h THR 394 CO 0.58 0.15 0.00 2.30 0.37 0.00 0.00 175.52 178.92 1cw3 n ILE 395 N -4.66 0.97 0.79 3.11 -5.35 -1.26 -1.01 119.36 111.94 1cw3 n ILE 395 Ca 0.05 0.24 0.09 0.00 -0.27 0.00 0.00 62.75 62.87 1cw3 n ILE 395 Cb 0.04 -1.01 0.05 0.00 -1.74 0.00 0.00 39.64 36.98 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 2.71 0.00 -1.28 0.00 -0.61 -4.58 120.51 115.30 1cw3 n ALA 396 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1cw3 n ALA 396 Cb 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1cw3 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cw3 n LYS 397 N 0.72 3.34 -4.17 0.00 5.02 -0.74 -4.94 118.16 117.38 1cw3 n LYS 397 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1cw3 n LYS 397 Cb 0.44 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.93 2.97 -0.41 1.97 2.02 -0.18 -4.94 118.70 118.20 1cw3 s GLU 398 Ca 0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1cw3 s GLU 398 Cb 0.00 -2.79 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1cw3 s GLU 398 CO 0.00 0.64 1.62 -2.00 0.02 0.00 0.00 175.26 175.55 1cw3 s GLU 399 N -1.64 3.35 0.11 1.61 2.12 -1.26 -4.80 118.70 118.19 1cw3 s GLU 399 Ca 0.21 1.07 -0.02 0.00 0.36 0.00 0.00 54.97 56.60 1cw3 s GLU 399 Cb -0.12 -4.14 -0.19 0.00 0.26 0.00 0.00 34.13 29.94 1cw3 s GLU 399 CO 0.12 -1.84 1.23 0.82 -0.54 0.00 0.00 175.26 175.05 1cw3 h ILE 400 N 6.65 1.51 -6.23 -3.70 2.04 -1.93 -3.48 117.51 112.37 1cw3 h ILE 400 Ca -0.30 -2.91 -0.46 0.00 1.00 0.00 0.00 64.86 62.18 1cw3 h ILE 400 Cb 1.14 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1cw3 h ILE 400 CO 1.08 0.85 -0.75 0.33 0.00 0.00 0.00 178.15 179.67 1cw3 n PHE 401 N -3.57 -2.39 -4.06 1.37 7.35 -1.26 -4.68 117.46 110.21 1cw3 n PHE 401 Ca -0.06 0.92 -0.14 0.00 -0.76 0.00 0.00 57.45 57.41 1cw3 n PHE 401 Cb 0.94 -4.15 -0.04 0.00 0.35 0.00 0.00 39.48 36.58 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 -3.34 1.36 -1.06 7.13 0.00 -1.21 -4.18 107.32 106.02 1cw3 s GLY 402 Ca 0.64 -1.43 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 1cw3 s GLY 402 CO 0.82 -0.92 2.48 -1.55 0.00 0.00 0.00 173.10 173.92 1cw3 n PRO 403 N -0.56 2.57 -3.92 2.90 -0.04 -1.18 -4.44 135.00 130.34 1cw3 n PRO 403 Ca -0.00 -1.63 -0.30 0.00 -0.04 0.00 0.00 63.50 61.53 1cw3 n PRO 403 Cb 0.61 -2.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 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 2.78 1.39 -0.04 0.52 1.01 -1.26 -0.56 120.40 124.25 1cw3 s VAL 404 Ca 0.51 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1cw3 s VAL 404 Cb 0.14 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1cw3 s VAL 404 CO -0.04 -0.08 0.48 -0.32 0.00 0.00 0.00 175.10 175.14 1cw3 s MET 405 N 1.46 4.17 -0.22 2.72 1.75 0.61 -4.97 119.30 124.82 1cw3 s MET 405 Ca -0.05 0.51 0.01 0.00 -1.25 0.00 0.00 55.69 54.91 1cw3 s MET 405 Cb -0.18 -3.32 0.03 0.00 2.84 0.00 0.00 34.83 34.20 1cw3 s MET 405 CO -0.07 0.44 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.96 1cw3 s GLN 406 N -0.32 2.72 -0.30 4.11 1.11 -1.26 -0.23 119.66 125.50 1cw3 s GLN 406 Ca 0.26 -1.03 -0.07 0.00 0.01 0.00 0.00 55.36 54.54 1cw3 s GLN 406 Cb -0.17 -2.80 0.01 0.00 -1.01 0.00 0.00 33.01 29.05 1cw3 s GLN 406 CO 0.13 -0.37 0.08 0.42 0.01 0.00 0.00 175.29 175.56 1cw3 s ILE 407 N 1.25 3.90 0.04 1.08 1.01 -0.56 -0.83 121.20 127.09 1cw3 s ILE 407 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1cw3 s ILE 407 Cb -0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1cw3 s ILE 407 CO -0.08 0.05 0.00 -0.76 0.00 0.00 0.00 174.94 174.15 1cw3 s LEU 408 N 1.48 3.49 -0.02 2.97 1.02 -0.13 -2.57 118.68 124.93 1cw3 s LEU 408 Ca 0.02 -0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 1cw3 s LEU 408 Cb -0.17 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1cw3 s LEU 408 CO 0.02 0.23 0.12 -0.75 0.02 0.00 0.00 176.35 175.99 1cw3 s LYS 409 N -1.89 3.21 0.19 1.70 2.20 -1.26 -0.52 119.74 123.38 1cw3 s LYS 409 Ca 0.22 -0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 1cw3 s LYS 409 Cb -0.12 -2.96 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1cw3 s LYS 409 CO 0.14 0.67 0.30 -0.59 -0.36 0.00 0.00 175.35 175.50 1cw3 s PHE 410 N -1.21 0.57 0.01 4.03 -0.12 -0.78 -4.88 117.98 115.60 1cw3 s PHE 410 Ca 0.23 -0.90 -0.04 0.00 -0.05 0.00 0.00 56.93 56.17 1cw3 s PHE 410 Cb -0.12 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1cw3 s PHE 410 CO 0.14 -0.77 -0.09 1.17 -0.05 0.00 0.00 175.22 175.62 1cw3 n LYS 411 N -0.27 0.13 -3.33 1.99 4.81 -1.26 -0.83 118.16 119.39 1cw3 n LYS 411 Ca -0.04 0.05 -0.19 0.00 -0.87 0.00 0.00 58.31 57.27 1cw3 n LYS 411 Cb 0.63 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 35.02 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 -2.04 3.82 0.15 3.15 -4.23 -1.26 -4.80 115.64 110.42 1cw3 s THR 412 Ca -0.07 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1cw3 s THR 412 Cb 0.01 -3.32 -0.15 0.00 1.34 0.00 0.00 72.50 70.38 1cw3 s THR 412 CO 0.11 -0.13 1.36 -0.29 -0.54 0.00 0.00 174.62 175.12 1cw3 h ILE 413 N 0.80 1.38 -0.71 2.99 2.10 -1.99 -2.62 117.51 119.47 1cw3 h ILE 413 Ca -0.44 -2.29 -0.05 0.00 1.08 0.00 0.00 64.86 63.16 1cw3 h ILE 413 Cb 1.26 2.26 -0.03 0.00 -1.09 0.00 0.00 36.82 39.22 1cw3 h ILE 413 CO 0.51 0.69 0.25 -0.33 -1.08 0.00 0.00 178.15 178.19 1cw3 h GLU 414 N 0.27 1.07 0.77 2.19 3.07 -2.00 -2.02 114.58 117.93 1cw3 h GLU 414 Ca -0.06 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1cw3 h GLU 414 Cb 1.45 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1cw3 h GLU 414 CO 0.15 0.90 -0.39 1.49 -1.40 0.00 0.00 179.01 179.75 1cw3 h GLU 415 N 1.04 -1.03 -0.03 2.33 4.81 -1.95 -2.77 114.58 116.98 1cw3 h GLU 415 Ca 0.23 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1cw3 h GLU 415 Cb 0.25 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1cw3 h GLU 415 CO -0.01 -0.69 -0.00 -0.24 -0.73 0.00 0.00 179.01 177.34 1cw3 h VAL 416 N -1.07 1.03 0.11 0.32 3.04 -1.32 -1.18 116.25 117.17 1cw3 h VAL 416 Ca -0.10 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1cw3 h VAL 416 Cb 0.83 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1cw3 h VAL 416 CO 0.16 0.03 -0.05 0.58 -1.01 0.00 0.00 177.57 177.28 1cw3 h VAL 417 N 0.05 1.05 -0.40 1.51 2.07 -1.27 0.27 116.25 119.53 1cw3 h VAL 417 Ca 0.01 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1cw3 h VAL 417 Cb 0.04 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1cw3 h VAL 417 CO 0.00 0.15 0.02 1.23 0.02 0.00 0.00 177.57 178.99 1cw3 h GLY 418 N -0.43 0.68 1.52 2.17 0.00 -1.16 -0.43 103.07 105.42 1cw3 h GLY 418 Ca -0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 46.71 1cw3 h GLY 418 CO 0.02 0.39 -0.75 3.21 0.00 0.00 0.00 176.54 179.41 1cw3 h ARG 419 N 0.60 0.47 -0.26 4.80 3.08 -1.18 -1.75 114.38 120.15 1cw3 h ARG 419 Ca 0.13 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 1cw3 h ARG 419 Cb 0.36 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1cw3 h ARG 419 CO 0.01 1.02 -0.28 0.00 -1.07 0.00 0.00 179.97 179.65 1cw3 h ALA 420 N 0.87 0.38 0.00 0.04 0.00 -0.71 -3.09 119.26 116.75 1cw3 h ALA 420 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cw3 h ALA 420 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1cw3 h ALA 420 CO 0.13 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.86 1cw3 n ASN 421 N -4.30 0.32 -3.85 0.00 3.02 -0.19 -4.28 115.26 105.97 1cw3 n ASN 421 Ca -0.04 0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 54.64 1cw3 n ASN 421 Cb 0.47 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1cw3 n ASN 421 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cw3 n ASN 422 N -1.82 4.26 -3.61 6.41 5.15 -0.66 -4.81 115.26 120.18 1cw3 n ASN 422 Ca 0.05 -2.91 -0.14 0.00 -0.60 0.00 0.00 54.58 50.98 1cw3 n ASN 422 Cb 0.29 -1.63 -0.06 0.00 -0.53 0.00 0.00 39.78 37.85 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 2.79 -0.40 0.09 1.20 0.15 -1.26 -5.00 113.70 111.27 1cw3 s SER 423 Ca 0.46 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.53 1cw3 s SER 423 Cb 0.12 0.46 0.55 0.00 -1.71 0.00 0.00 66.02 65.44 1cw3 s SER 423 CO -0.05 -0.68 1.48 0.35 1.20 0.00 0.00 173.24 175.54 1cw3 n THR 424 N 0.53 0.27 -2.71 6.45 -2.24 -1.26 -4.86 114.28 110.46 1cw3 n THR 424 Ca -0.19 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 1cw3 n THR 424 Cb 0.60 -0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.10 3.25 -0.21 4.78 4.12 -1.26 -1.21 117.35 123.72 1cw3 s TYR 425 Ca 0.09 0.44 0.04 0.00 0.02 0.00 0.00 57.07 57.65 1cw3 s TYR 425 Cb 0.15 -2.50 0.14 0.00 -1.52 0.00 0.00 41.96 38.23 1cw3 s TYR 425 CO 0.68 -0.56 0.98 0.41 0.02 0.00 0.00 175.55 177.08 1cw3 n GLY 426 N -2.30 -0.05 0.07 0.71 0.00 -1.12 -4.85 105.19 97.65 1cw3 n GLY 426 Ca 0.03 -0.05 -0.12 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 0.77 -0.02 -8.46 0.99 5.85 -1.82 0.71 115.31 113.32 1cw3 h LEU 427 Ca -0.31 -0.76 -0.19 0.00 0.84 0.00 0.00 57.88 57.47 1cw3 h LEU 427 Cb 1.17 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.09 1cw3 h LEU 427 CO -0.11 0.80 -0.34 0.00 -0.34 0.00 0.00 178.44 178.44 1cw3 s ALA 428 N -2.78 0.60 0.07 1.25 0.00 -1.26 -2.52 121.76 117.12 1cw3 s ALA 428 Ca -0.16 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 1cw3 s ALA 428 Cb -0.02 1.23 0.09 0.00 0.00 0.00 0.00 23.12 24.42 1cw3 s ALA 428 CO 0.61 -0.73 0.75 0.00 0.00 0.00 0.00 175.76 176.38 1cw3 s ALA 429 N -3.86 -1.72 0.02 0.00 0.00 0.29 -4.03 121.76 112.47 1cw3 s ALA 429 Ca 0.31 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1cw3 s ALA 429 Cb 0.02 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1cw3 s ALA 429 CO 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 175.76 175.20 1cw3 s ALA 430 N -3.27 0.03 -0.05 0.00 0.00 -0.35 -0.92 121.76 117.20 1cw3 s ALA 430 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1cw3 s ALA 430 Cb -0.01 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1cw3 s ALA 430 CO -0.10 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.52 1cw3 s VAL 431 N -1.38 0.67 -0.27 0.00 1.01 0.53 -0.58 120.40 120.38 1cw3 s VAL 431 Ca -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1cw3 s VAL 431 Cb -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.69 1cw3 s VAL 431 CO -0.00 0.26 -0.05 -0.36 0.00 0.00 0.00 175.10 174.94 1cw3 s PHE 432 N 0.88 3.00 0.01 5.22 0.40 0.10 0.21 117.98 127.80 1cw3 s PHE 432 Ca -0.12 -2.23 -0.28 0.00 -0.60 0.00 0.00 56.93 53.70 1cw3 s PHE 432 Cb -0.15 -1.98 0.07 0.00 0.51 0.00 0.00 43.02 41.48 1cw3 s PHE 432 CO 0.01 -0.86 0.68 -0.08 0.70 0.00 0.00 175.22 175.67 1cw3 s THR 433 N 1.19 0.00 -0.83 0.64 -1.32 -1.26 -1.42 115.64 112.63 1cw3 s THR 433 Ca -0.04 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.66 1cw3 s THR 433 Cb -0.19 -1.00 -0.22 0.00 -1.51 0.00 0.00 72.50 69.58 1cw3 s THR 433 CO -0.07 0.00 0.88 0.29 -2.21 0.00 0.00 174.62 173.51 1cw3 n LYS 434 N 0.46 0.12 -2.78 7.08 5.02 -1.23 -4.86 118.16 121.97 1cw3 n LYS 434 Ca -0.18 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.67 1cw3 n LYS 434 Cb 0.60 -1.51 -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 -3.29 7.22 0.08 4.39 -1.08 -1.26 -4.97 116.67 117.76 1cw3 s ASP 435 Ca 0.06 1.49 -0.28 0.00 -0.52 0.00 0.00 52.55 53.29 1cw3 s ASP 435 Cb 0.16 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.93 1cw3 s ASP 435 CO 0.86 -0.30 1.68 0.25 0.52 0.00 0.00 175.17 178.18 1cw3 h LEU 436 N 7.28 -0.44 -1.48 -1.34 5.85 -2.00 -2.30 115.31 120.87 1cw3 h LEU 436 Ca -0.37 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1cw3 h LEU 436 Cb 1.19 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1cw3 h LEU 436 CO 0.79 -0.30 0.37 0.44 -0.34 0.00 0.00 178.44 179.39 1cw3 h ASP 437 N -0.49 0.60 -0.43 1.25 3.45 -1.99 -1.91 116.42 116.89 1cw3 h ASP 437 Ca -0.04 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.26 1cw3 h ASP 437 Cb 0.39 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1cw3 h ASP 437 CO 0.06 0.43 -0.30 0.11 -1.57 0.00 0.00 179.24 177.97 1cw3 h LYS 438 N 0.70 0.97 -0.40 3.56 1.57 -1.94 -1.02 116.57 120.02 1cw3 h LYS 438 Ca 0.21 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1cw3 h LYS 438 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1cw3 h LYS 438 CO -0.05 1.13 0.12 0.00 -0.57 0.00 0.00 179.45 180.07 1cw3 h ALA 439 N 0.83 0.52 -0.38 3.86 0.00 -0.94 -1.13 119.26 122.02 1cw3 h ALA 439 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1cw3 h ALA 439 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cw3 h ALA 439 CO 0.08 0.17 -0.39 -0.91 0.00 0.00 0.00 179.25 178.20 1cw3 h ASN 440 N 0.50 1.00 -0.05 0.00 2.35 -1.32 -1.30 115.58 116.75 1cw3 h ASN 440 Ca 0.13 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1cw3 h ASN 440 Cb 0.27 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1cw3 h ASN 440 CO -0.00 1.27 0.03 0.22 -1.65 0.00 0.00 177.43 177.29 1cw3 h TYR 441 N 0.76 0.08 -0.25 1.19 3.20 -1.11 -2.46 116.97 118.38 1cw3 h TYR 441 Ca 0.06 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1cw3 h TYR 441 Cb 0.99 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1cw3 h TYR 441 CO 0.06 0.17 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.55 1cw3 h LEU 442 N -0.04 0.56 -1.68 2.82 3.38 -1.23 -1.49 115.31 117.64 1cw3 h LEU 442 Ca 0.02 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1cw3 h LEU 442 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1cw3 h LEU 442 CO -0.00 0.86 0.06 0.77 0.09 0.00 0.00 178.44 180.22 1cw3 h SER 443 N 0.27 0.24 0.24 -0.43 4.64 -1.25 -1.04 113.55 116.21 1cw3 h SER 443 Ca 0.05 -0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 61.03 1cw3 h SER 443 Cb 0.66 -0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.72 1cw3 h SER 443 CO 0.04 0.24 -1.47 -0.61 -0.87 0.00 0.00 176.83 174.16 1cw3 h GLN 444 N 0.27 0.50 -0.36 4.77 4.15 -1.39 -3.37 115.11 119.68 1cw3 h GLN 444 Ca 0.07 -0.86 -0.11 0.00 0.77 0.00 0.00 58.65 58.52 1cw3 h GLN 444 Cb 0.09 0.32 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1cw3 h GLN 444 CO -0.01 1.41 -0.21 0.00 -1.93 0.00 0.00 178.83 178.09 1cw3 h ALA 445 N 0.13 0.50 -2.42 3.38 0.00 -0.92 -3.45 119.26 116.49 1cw3 h ALA 445 Ca -0.26 -0.37 -0.54 0.00 0.00 0.00 0.00 54.91 53.73 1cw3 h ALA 445 Cb 2.11 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.83 1cw3 h ALA 445 CO 0.25 0.47 1.08 1.28 0.00 0.00 0.00 179.25 182.33 1cw3 n LEU 446 N -4.27 3.89 -3.86 0.00 4.77 -0.42 -4.90 117.00 112.20 1cw3 n LEU 446 Ca -0.02 0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 56.53 1cw3 n LEU 446 Cb 0.43 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1cw3 n LEU 446 CO 0.44 0.11 1.91 0.00 -1.33 0.00 0.00 177.39 178.52 1cw3 n GLN 447 N 5.54 3.69 -4.16 3.23 6.02 -1.26 -4.93 117.38 125.51 1cw3 n GLN 447 Ca 0.18 -3.59 -0.15 0.00 -0.01 0.00 0.00 57.00 53.43 1cw3 n GLN 447 Cb 0.36 -2.89 -0.11 0.00 1.02 0.00 0.00 30.24 28.61 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 0.14 1.06 0.31 -1.58 0.00 -1.26 -4.59 121.76 115.85 1cw3 s ALA 448 Ca 0.39 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1cw3 s ALA 448 Cb 0.10 0.00 0.52 0.00 0.00 0.00 0.00 23.12 23.74 1cw3 s ALA 448 CO 0.01 0.01 1.73 0.78 0.00 0.00 0.00 175.76 178.29 1cw3 h GLY 449 N 3.83 0.19 -6.78 0.00 0.00 -0.91 -3.43 103.07 95.97 1cw3 h GLY 449 Ca -0.38 -0.18 -0.35 0.00 0.00 0.00 0.00 47.33 46.43 1cw3 h GLY 449 CO 0.49 0.16 -0.74 -1.59 0.00 0.00 0.00 176.54 174.85 1cw3 s THR 450 N -4.15 0.05 -0.28 4.70 2.01 -1.08 -4.73 115.64 112.15 1cw3 s THR 450 Ca -0.04 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 1cw3 s THR 450 Cb 0.14 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.49 1cw3 s THR 450 CO 0.76 0.15 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.11 1cw3 s VAL 451 N 1.49 2.74 -0.01 3.82 1.01 -1.26 -0.54 120.40 127.65 1cw3 s VAL 451 Ca -0.03 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 1cw3 s VAL 451 Cb -0.13 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1cw3 s VAL 451 CO -0.03 -0.04 0.55 0.26 0.00 0.00 0.00 175.10 175.83 1cw3 s TRP 452 N 1.22 3.68 -0.26 5.22 0.51 -0.09 -4.97 118.94 124.25 1cw3 s TRP 452 Ca -0.06 1.13 -0.02 0.00 -2.12 0.00 0.00 56.10 55.03 1cw3 s TRP 452 Cb -0.19 -2.54 0.02 0.00 -0.81 0.00 0.00 33.47 29.95 1cw3 s TRP 452 CO -0.03 0.39 -0.04 0.08 -0.51 0.00 0.00 176.95 176.84 1cw3 s VAL 453 N -0.28 3.02 -1.46 4.03 1.01 -1.26 -0.34 120.40 125.11 1cw3 s VAL 453 Ca 0.29 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1cw3 s VAL 453 Cb -0.18 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1cw3 s VAL 453 CO 0.16 0.17 0.10 0.59 0.00 0.00 0.00 175.10 176.12 1cw3 n ASN 454 N 4.69 -5.19 -3.66 3.32 3.02 0.13 -4.96 115.26 112.62 1cw3 n ASN 454 Ca -0.16 -0.06 -0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1cw3 n ASN 454 Cb 0.47 -4.23 -0.01 0.00 -0.61 0.00 0.00 39.78 35.40 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 -3.07 -0.22 -1.39 0.00 5.04 -1.26 -4.66 117.35 111.78 1cw3 s TYR 456 Ca 0.10 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 55.04 1cw3 s TYR 456 Cb -0.00 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1cw3 s TYR 456 CO -0.02 -0.35 1.13 -0.25 -1.34 0.00 0.00 175.55 174.72 1cw3 n ASP 457 N 1.61 -5.80 -4.37 4.32 8.00 -1.26 -4.93 116.55 114.12 1cw3 n ASP 457 Ca -0.20 -0.60 -0.45 0.00 0.71 0.00 0.00 54.79 54.25 1cw3 n ASP 457 Cb 0.56 -4.77 -0.04 0.00 -0.02 0.00 0.00 41.12 36.86 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 -3.32 4.92 -0.09 2.53 1.01 -1.26 -5.02 120.40 119.17 1cw3 s VAL 458 Ca 0.58 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1cw3 s VAL 458 Cb -0.26 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1cw3 s VAL 458 CO 0.75 -1.13 0.16 -0.36 0.00 0.00 0.00 175.10 174.53 1cw3 s PHE 459 N 2.36 3.59 -0.04 5.22 0.40 -1.26 -5.09 117.98 123.16 1cw3 s PHE 459 Ca 0.13 0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1cw3 s PHE 459 Cb -0.22 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.41 1cw3 s PHE 459 CO 0.03 0.71 0.01 0.20 0.70 0.00 0.00 175.22 176.87 1cw3 s GLY 460 N -1.26 0.27 0.66 4.36 0.00 -1.26 -5.00 107.32 105.09 1cw3 s GLY 460 Ca 0.18 0.12 0.36 0.00 0.00 0.00 0.00 44.72 45.39 1cw3 s GLY 460 CO 0.08 0.74 2.12 0.00 0.00 0.00 0.00 173.10 176.04 1cw3 h ALA 461 N 7.51 1.22 0.00 3.20 0.00 -1.95 -0.95 119.26 128.30 1cw3 h ALA 461 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cw3 h ALA 461 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cw3 h ALA 461 CO 0.41 -0.20 -0.88 -0.56 0.00 0.00 0.00 179.25 178.03 1cw3 h GLN 462 N 0.00 0.00 -4.98 0.00 -0.00 -1.94 0.19 115.11 108.38 1cw3 h GLN 462 Ca 0.01 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 58.01 1cw3 h GLN 462 Cb 0.39 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 27.67 1cw3 h GLN 462 CO -0.00 0.00 -0.59 -1.12 -0.00 0.00 0.00 178.83 177.12 1cw3 s SER 463 N -5.43 5.44 0.63 0.06 0.01 -0.36 -3.83 113.70 110.22 1cw3 s SER 463 Ca 0.01 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 56.98 1cw3 s SER 463 Cb 0.09 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 64.28 1cw3 s SER 463 CO 0.77 -0.01 0.69 -0.81 0.41 0.00 0.00 173.24 174.30 1cw3 n PRO 464 N 4.76 0.56 -3.78 12.44 -0.04 -1.26 -4.41 135.00 143.27 1cw3 n PRO 464 Ca -0.16 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1cw3 n PRO 464 Cb 0.52 -1.91 -0.16 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.71 0.11 0.02 0.54 5.36 0.13 -4.92 117.98 117.52 1cw3 s PHE 465 Ca 0.71 0.12 -0.28 0.00 -0.96 0.00 0.00 56.93 56.52 1cw3 s PHE 465 Cb -0.40 -0.34 0.10 0.00 -0.34 0.00 0.00 43.02 42.04 1cw3 s PHE 465 CO 0.52 -0.12 1.23 0.20 -1.46 0.00 0.00 175.22 175.59 1cw3 s GLY 466 N 1.31 -0.21 0.18 13.12 0.00 -1.26 -0.30 107.32 120.16 1cw3 s GLY 466 Ca -0.06 0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.96 1cw3 s GLY 466 CO -0.03 2.80 0.02 -0.32 0.00 0.00 0.00 173.10 175.57 1cw3 s GLY 467 N -3.39 1.71 0.12 0.20 0.00 -1.26 -3.87 107.32 100.82 1cw3 s GLY 467 Ca 0.22 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.59 1cw3 s GLY 467 CO -0.01 -1.39 0.22 -0.19 0.00 0.00 0.00 173.10 171.73 1cw3 s TYR 468 N -1.78 3.43 0.00 1.90 1.51 0.11 -4.32 117.35 118.20 1cw3 s TYR 468 Ca 0.28 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1cw3 s TYR 468 Cb -0.09 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1cw3 s TYR 468 CO 0.19 0.54 0.00 1.63 -1.11 0.00 0.00 175.55 176.80 1cw3 n LYS 469 N -0.17 0.00 -0.36 -0.62 5.02 -1.26 -2.51 118.16 118.26 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 0.18 0.00 -0.02 0.00 0.00 35.03 35.72 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 2.56 0.00 1.97 2.81 -0.35 -3.58 117.12 134.53 1cw3 n MET 470 Ca 0.00 -1.39 0.13 0.00 -1.81 0.00 0.00 57.70 54.63 1cw3 n MET 470 Cb 0.00 -1.72 0.37 0.00 -0.71 0.00 0.00 33.22 31.16 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 0.33 1.56 0.00 7.83 7.64 -1.04 -4.60 113.62 125.34 1cw3 n SER 471 Ca 0.12 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1cw3 n SER 471 Cb 0.59 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 1.28 0.35 3.46 0.23 0.00 -1.23 -0.63 105.19 108.65 1cw3 n GLY 472 Ca 0.15 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.14 -0.59 0.00 1.61 1.04 -0.30 -4.54 113.70 107.77 1cw3 s SER 473 Ca 0.00 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1cw3 s SER 473 Cb 0.00 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.26 1cw3 s SER 473 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1cw3 n GLY 474 N 2.91 -0.69 3.29 7.32 0.00 -1.26 -1.74 105.19 115.01 1cw3 n GLY 474 Ca -0.14 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.86 1.16 0.25 1.61 1.81 -1.26 -4.33 118.95 116.33 1cw3 s ARG 475 Ca 0.00 -1.43 0.10 0.00 -1.72 0.00 0.00 55.73 52.68 1cw3 s ARG 475 Cb 0.00 -0.93 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 1cw3 s ARG 475 CO 0.00 0.16 -0.16 -1.21 -0.68 0.00 0.00 175.30 173.41 1cw3 s GLU 476 N -3.31 1.52 0.29 3.54 2.02 0.59 -4.22 118.70 119.14 1cw3 s GLU 476 Ca 0.16 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1cw3 s GLU 476 Cb -0.02 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1cw3 s GLU 476 CO 0.04 0.24 0.00 1.28 0.02 0.00 0.00 175.26 176.84 1cw3 n LEU 477 N -0.52 -0.53 0.00 1.80 4.77 -1.26 0.22 117.00 121.48 1cw3 n LEU 477 Ca -0.06 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1cw3 n LEU 477 Cb 0.60 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 1cw3 n LEU 477 CO 0.37 -1.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.17 1cw3 n GLY 478 N -3.58 -0.76 0.16 -0.72 0.00 0.66 -1.47 105.19 99.49 1cw3 n GLY 478 Ca -0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 0.15 -0.46 1.61 4.81 -1.88 -3.13 114.58 115.68 1cw3 h GLU 479 Ca 0.00 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1cw3 h GLU 479 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1cw3 h GLU 479 CO 0.00 0.68 0.30 1.88 -0.73 0.00 0.00 179.01 181.15 1cw3 h TYR 480 N 0.11 0.57 0.00 0.92 -1.99 -1.93 -2.18 116.97 112.47 1cw3 h TYR 480 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1cw3 h TYR 480 Cb 1.05 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1cw3 h TYR 480 CO 0.01 0.36 0.03 0.41 -0.00 0.00 0.00 178.16 178.96 1cw3 n GLY 481 N -1.47 -0.38 0.06 3.88 0.00 -0.54 -1.13 105.19 105.60 1cw3 n GLY 481 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1cw3 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cw3 n LEU 482 N -1.38 0.30 -0.16 0.99 4.77 -0.82 -4.48 117.00 116.22 1cw3 n LEU 482 Ca 0.00 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1cw3 n LEU 482 Cb 0.03 0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1cw3 n LEU 482 CO 0.00 0.04 0.99 1.56 -1.33 0.00 0.00 177.39 178.65 1cw3 h GLN 483 N 0.00 0.41 0.00 3.23 4.20 -1.27 -2.30 115.11 119.38 1cw3 h GLN 483 Ca -0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1cw3 h GLN 483 Cb 1.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1cw3 h GLN 483 CO 0.01 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 1cw3 n ALA 484 N -2.37 1.74 -0.90 3.87 0.00 -1.26 -2.92 120.51 118.67 1cw3 n ALA 484 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1cw3 n ALA 484 Cb 0.17 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.57 1cw3 n ALA 484 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cw3 n TYR 485 N -2.05 1.38 -4.47 0.00 4.02 -0.87 -4.90 117.16 110.26 1cw3 n TYR 485 Ca 0.03 -0.79 -0.21 0.00 -0.01 0.00 0.00 57.90 56.92 1cw3 n TYR 485 Cb 0.24 -0.37 -0.15 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.67 0.87 -0.20 -0.72 2.01 -1.15 -2.56 115.64 111.23 1cw3 s THR 486 Ca 0.47 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1cw3 s THR 486 Cb 0.36 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1cw3 s THR 486 CO 0.13 0.26 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.54 1cw3 s GLU 487 N -0.07 3.36 -0.18 4.92 2.56 0.37 -4.72 118.70 124.95 1cw3 s GLU 487 Ca 0.01 -0.65 -0.21 0.00 0.00 0.00 0.00 54.97 54.13 1cw3 s GLU 487 Cb -0.06 -2.90 -0.03 0.00 2.00 0.00 0.00 34.13 33.14 1cw3 s GLU 487 CO 0.00 -0.11 0.62 0.08 -0.56 0.00 0.00 175.26 175.29 1cw3 s VAL 488 N 1.22 5.04 -0.13 3.70 1.01 -1.26 -1.05 120.40 128.92 1cw3 s VAL 488 Ca 0.02 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.20 1cw3 s VAL 488 Cb -0.14 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1cw3 s VAL 488 CO -0.02 0.14 -0.18 -0.75 0.00 0.00 0.00 175.10 174.28 1cw3 s LYS 489 N 1.72 3.18 -0.18 2.72 2.20 -0.60 -4.96 119.74 123.83 1cw3 s LYS 489 Ca 0.29 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 55.00 1cw3 s LYS 489 Cb -0.16 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 1cw3 s LYS 489 CO 0.11 0.11 0.20 0.99 -0.36 0.00 0.00 175.35 176.40 1cw3 s THR 490 N 0.55 5.37 -0.22 3.43 2.01 -1.26 -0.27 115.64 125.25 1cw3 s THR 490 Ca -0.11 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1cw3 s THR 490 Cb -0.16 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1cw3 s THR 490 CO 0.04 0.43 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 1cw3 s VAL 491 N 0.32 2.36 -0.33 3.82 1.01 0.42 -4.99 120.40 123.02 1cw3 s VAL 491 Ca 0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1cw3 s VAL 491 Cb -0.12 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.18 1cw3 s VAL 491 CO 0.01 0.31 0.06 -0.89 0.00 0.00 0.00 175.10 174.59 1cw3 s THR 492 N 1.26 3.11 -0.17 3.92 2.01 -1.26 -1.49 115.64 123.01 1cw3 s THR 492 Ca 0.00 -1.58 -0.09 0.00 0.31 0.00 0.00 61.69 60.33 1cw3 s THR 492 Cb -0.16 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1cw3 s THR 492 CO -0.08 -0.29 0.13 -0.69 -0.69 0.00 0.00 174.62 173.00 1cw3 s VAL 493 N 1.22 5.43 0.06 3.82 1.01 0.64 -4.91 120.40 127.67 1cw3 s VAL 493 Ca -0.01 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1cw3 s VAL 493 Cb -0.20 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1cw3 s VAL 493 CO -0.02 0.50 1.14 -0.75 0.00 0.00 0.00 175.10 175.97 1cw3 s LYS 494 N -0.08 4.48 0.17 2.72 2.20 -1.26 0.04 119.74 128.01 1cw3 s LYS 494 Ca 0.10 1.68 0.10 0.00 -0.36 0.00 0.00 55.97 57.49 1cw3 s LYS 494 Cb -0.11 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1cw3 s LYS 494 CO -0.00 -0.17 -0.21 0.14 -0.36 0.00 0.00 175.35 174.74 1cw3 s VAL 495 N 0.91 2.05 0.37 4.02 -7.23 -0.81 -4.90 120.40 114.80 1cw3 s VAL 495 Ca 0.56 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 1cw3 s VAL 495 Cb -0.27 -1.94 0.33 0.00 0.56 0.00 0.00 36.38 35.05 1cw3 s VAL 495 CO 0.30 -0.19 1.89 -0.65 -0.31 0.00 0.00 175.10 176.13 1cw3 h PRO 496 N 3.33 0.64 -1.05 4.82 0.11 -1.97 -3.42 132.00 134.46 1cw3 h PRO 496 Ca -0.45 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1cw3 h PRO 496 Cb 1.20 -0.14 -0.23 0.00 0.11 0.00 0.00 31.00 31.94 1cw3 h PRO 496 CO 0.48 0.42 0.12 -1.14 -0.21 0.00 0.00 178.00 177.67 1cw3 s GLN 497 N -5.63 0.34 0.24 1.05 0.74 -1.26 -5.05 119.66 110.08 1cw3 s GLN 497 Ca -0.10 0.80 -0.23 0.00 0.05 0.00 0.00 55.36 55.88 1cw3 s GLN 497 Cb 0.22 0.48 -0.09 0.00 1.10 0.00 0.00 33.01 34.71 1cw3 s GLN 497 CO 0.78 -0.17 0.81 0.21 -0.55 0.00 0.00 175.29 176.37 1cw3 s LYS 498 N 2.61 4.44 0.06 1.67 2.20 -1.26 -5.03 119.74 124.43 1cw3 s LYS 498 Ca -0.01 1.09 -0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1cw3 s LYS 498 Cb -0.08 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1cw3 s LYS 498 CO -0.17 0.40 -0.04 -0.80 -0.36 0.00 0.00 175.35 174.38 1cw3 s ASN 499 N -1.52 0.65 0.00 1.43 0.01 -1.26 -4.98 114.94 109.26 1cw3 s ASN 499 Ca 0.44 -0.94 0.13 0.00 -0.71 0.00 0.00 52.86 51.77 1cw3 s ASN 499 Cb -0.19 0.16 0.76 0.00 0.41 0.00 0.00 41.25 42.39 1cw3 s ASN 499 CO 0.23 -0.53 1.19 -1.54 -1.51 0.00 0.00 177.10 174.94