#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 4.83 0.64 0.00 1.01 -1.26 -5.06 120.40 120.56 1cw3 s VAL 8 Ca 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 1cw3 s VAL 8 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1cw3 s VAL 8 CO 0.00 0.28 1.18 -2.84 0.00 0.00 0.00 175.10 173.72 1cw3 s PRO 9 N -1.86 2.71 -0.02 2.72 0.02 -1.26 -4.91 135.00 132.40 1cw3 s PRO 9 Ca 0.37 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 1cw3 s PRO 9 Cb -0.16 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1cw3 s PRO 9 CO 0.19 -1.38 1.94 0.00 -0.33 0.00 0.00 177.00 177.42 1cw3 s ALA 10 N -1.86 3.48 0.71 -1.55 0.00 -1.26 -4.98 121.76 116.31 1cw3 s ALA 10 Ca 0.74 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 1cw3 s ALA 10 Cb -0.28 -3.86 0.02 0.00 0.00 0.00 0.00 23.12 19.01 1cw3 s ALA 10 CO 0.38 -1.70 1.08 -1.25 0.00 0.00 0.00 175.76 174.27 1cw3 s PRO 11 N 4.62 2.65 -0.52 0.00 0.04 -1.26 -5.00 135.00 135.52 1cw3 s PRO 11 Ca 0.87 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1cw3 s PRO 11 Cb -0.39 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.33 1cw3 s PRO 11 CO 0.38 -1.34 0.46 1.21 0.04 0.00 0.00 177.00 177.76 1cw3 s ASN 12 N -3.31 6.06 0.00 6.66 3.84 -1.26 -4.95 114.94 121.99 1cw3 s ASN 12 Ca 0.61 -1.83 0.00 0.00 0.21 0.00 0.00 52.86 51.86 1cw3 s ASN 12 Cb -0.17 -2.16 0.01 0.00 -0.55 0.00 0.00 41.25 38.38 1cw3 s ASN 12 CO 0.51 -0.81 0.95 0.00 -2.79 0.00 0.00 177.10 174.96 1cw3 n GLN 13 N 5.15 0.00 -3.15 0.43 6.02 -1.26 -3.15 117.38 121.41 1cw3 n GLN 13 Ca -0.12 0.45 -0.20 0.00 -0.01 0.00 0.00 57.00 57.12 1cw3 n GLN 13 Cb 0.40 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.45 0.84 -1.95 -1.09 6.02 -1.26 -5.01 117.38 113.48 1cw3 n GLN 14 Ca 0.00 -3.18 -0.40 0.00 -0.01 0.00 0.00 57.00 53.40 1cw3 n GLN 14 Cb 0.00 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1cw3 n GLN 14 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1cw3 s PRO 15 N -1.62 4.10 0.51 -1.09 0.04 -1.19 -4.99 135.00 130.77 1cw3 s PRO 15 Ca 0.37 2.36 -0.19 0.00 0.04 0.00 0.00 61.00 63.57 1cw3 s PRO 15 Cb 0.26 -2.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 1cw3 s PRO 15 CO -0.10 -0.46 1.04 -2.00 0.04 0.00 0.00 177.00 175.53 1cw3 s GLU 16 N -2.08 3.69 -0.21 4.56 2.12 -1.26 -5.02 118.70 120.49 1cw3 s GLU 16 Ca 0.53 1.33 -0.08 0.00 0.36 0.00 0.00 54.97 57.12 1cw3 s GLU 16 Cb -0.42 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1cw3 s GLU 16 CO 0.56 -0.52 0.08 0.08 -0.54 0.00 0.00 175.26 174.92 1cw3 s VAL 17 N -2.08 4.66 -0.03 3.70 1.01 -1.26 -4.98 120.40 121.43 1cw3 s VAL 17 Ca 0.67 -0.07 0.13 0.00 0.00 0.00 0.00 61.98 62.71 1cw3 s VAL 17 Cb -0.16 -3.14 -0.21 0.00 0.00 0.00 0.00 36.38 32.87 1cw3 s VAL 17 CO 0.24 0.40 0.27 0.49 0.00 0.00 0.00 175.10 176.49 1cw3 n PHE 18 N 4.16 0.00 -4.06 5.22 3.01 -1.26 -4.96 117.46 119.57 1cw3 n PHE 18 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.02 1cw3 n PHE 18 Cb 0.52 -0.35 -0.17 0.00 -0.01 0.00 0.00 39.48 39.47 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 4.70 0.01 -0.53 0.00 6.94 -1.26 -4.72 115.26 120.40 1cw3 n ASN 20 Ca -0.15 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1cw3 n ASN 20 Cb 0.50 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.01 3.16 -3.69 -3.83 6.02 -1.26 -0.61 117.38 117.17 1cw3 n GLN 21 Ca -0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1cw3 n GLN 21 Cb 0.64 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.83 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 0.86 5.37 -0.41 5.09 1.01 0.33 -4.68 121.20 128.77 1cw3 s ILE 22 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 1cw3 s ILE 22 Cb 0.00 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1cw3 s ILE 22 CO 0.00 0.48 0.30 0.12 0.00 0.00 0.00 174.94 175.84 1cw3 s PHE 23 N -0.09 3.24 -0.03 3.97 5.36 -0.00 -0.39 117.98 130.04 1cw3 s PHE 23 Ca 0.14 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 1cw3 s PHE 23 Cb -0.12 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.94 1cw3 s PHE 23 CO 0.03 -0.63 0.02 0.42 -1.46 0.00 0.00 175.22 173.59 1cw3 s ILE 24 N 1.65 0.07 -1.47 3.12 1.01 -0.67 -0.71 121.20 124.20 1cw3 s ILE 24 Ca 0.04 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 1cw3 s ILE 24 Cb -0.20 -0.19 0.06 0.00 0.01 0.00 0.00 42.46 42.14 1cw3 s ILE 24 CO 0.09 0.13 0.89 0.59 0.00 0.00 0.00 174.94 176.64 1cw3 n ASN 25 N 4.23 -3.69 -1.56 3.58 3.02 -1.26 -1.43 115.26 118.15 1cw3 n ASN 25 Ca -0.26 -0.80 -0.20 0.00 -0.03 0.00 0.00 54.58 53.29 1cw3 n ASN 25 Cb 0.50 -3.91 -0.09 0.00 -0.61 0.00 0.00 39.78 35.68 1cw3 n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cw3 n ASN 26 N -2.90 -5.47 -4.41 6.41 5.03 -1.26 -4.65 115.26 108.00 1cw3 n ASN 26 Ca -0.06 0.50 -0.25 0.00 0.87 0.00 0.00 54.58 55.64 1cw3 n ASN 26 Cb 0.57 -4.79 -0.11 0.00 -1.02 0.00 0.00 39.78 34.43 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 -3.71 1.49 -0.22 3.52 2.02 -0.52 -5.03 118.70 116.25 1cw3 s GLU 27 Ca 0.00 -1.56 -0.12 0.00 0.02 0.00 0.00 54.97 53.30 1cw3 s GLU 27 Cb 0.00 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 1cw3 s GLU 27 CO 0.00 0.34 0.23 -1.58 0.02 0.00 0.00 175.26 174.28 1cw3 s TRP 28 N -2.03 3.34 0.09 1.61 0.52 -1.26 -1.68 118.94 119.53 1cw3 s TRP 28 Ca 0.22 0.36 0.07 0.00 0.02 0.00 0.00 56.10 56.77 1cw3 s TRP 28 Cb -0.06 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1cw3 s TRP 28 CO 0.10 0.06 -0.19 -1.01 0.02 0.00 0.00 176.95 175.94 1cw3 s HIS 29 N 1.06 1.61 0.46 -1.98 3.76 0.48 -4.91 115.29 115.77 1cw3 s HIS 29 Ca 0.11 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 1cw3 s HIS 29 Cb -0.14 -0.89 -0.05 0.00 1.11 0.00 0.00 32.58 32.61 1cw3 s HIS 29 CO 0.05 0.15 0.81 -0.51 -0.85 0.00 0.00 174.74 174.39 1cw3 s ASP 30 N -1.79 6.37 0.64 1.40 -0.00 -1.26 -0.51 116.67 121.52 1cw3 s ASP 30 Ca 0.04 1.07 -0.18 0.00 -0.00 0.00 0.00 52.55 53.48 1cw3 s ASP 30 Cb -0.10 -2.31 -0.01 0.00 -0.00 0.00 0.00 42.92 40.50 1cw3 s ASP 30 CO 0.03 -0.53 1.29 0.00 -0.00 0.00 0.00 175.17 175.96 1cw3 n ALA 31 N -1.90 1.15 -0.27 5.23 0.00 -1.26 -4.84 120.51 118.62 1cw3 n ALA 31 Ca 0.02 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1cw3 n ALA 31 Cb 0.54 -2.32 0.33 0.00 0.00 0.00 0.00 19.45 18.00 1cw3 n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cw3 h VAL 32 N 0.59 0.93 -0.00 0.00 2.07 -1.95 0.22 116.25 118.12 1cw3 h VAL 32 Ca -0.51 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1cw3 h VAL 32 Cb 1.34 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1cw3 h VAL 32 CO 0.53 0.15 -0.01 -1.54 0.02 0.00 0.00 177.57 176.72 1cw3 n SER 33 N -4.53 0.07 0.00 0.57 3.41 -1.26 -4.89 113.62 106.98 1cw3 n SER 33 Ca 0.15 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1cw3 n SER 33 Cb 0.35 -0.12 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 -1.08 -0.69 -2.19 4.33 5.12 0.77 -4.95 116.66 117.96 1cw3 n ARG 34 Ca 0.19 0.17 -0.34 0.00 -1.93 0.00 0.00 57.85 55.95 1cw3 n ARG 34 Cb 0.18 -4.34 0.00 0.00 -1.16 0.00 0.00 32.46 27.14 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 -1.16 3.40 0.05 5.56 1.02 -1.26 -4.83 119.74 122.52 1cw3 s LYS 35 Ca 0.00 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.33 1cw3 s LYS 35 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1cw3 s LYS 35 CO 0.00 -0.76 -0.03 0.95 -0.92 0.00 0.00 175.35 174.58 1cw3 s THR 36 N -2.18 0.26 0.06 2.17 -4.23 -1.26 -1.38 115.64 109.09 1cw3 s THR 36 Ca 0.67 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1cw3 s THR 36 Cb -0.18 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1cw3 s THR 36 CO 0.31 -0.93 -0.13 0.72 -0.54 0.00 0.00 174.62 174.04 1cw3 s PHE 37 N -3.63 1.12 0.21 3.99 -0.12 0.07 -4.81 117.98 114.81 1cw3 s PHE 37 Ca 0.05 -0.45 -0.16 0.00 -0.05 0.00 0.00 56.93 56.32 1cw3 s PHE 37 Cb 0.06 -0.64 -0.08 0.00 -0.63 0.00 0.00 43.02 41.73 1cw3 s PHE 37 CO -0.08 0.03 0.65 -1.25 -0.05 0.00 0.00 175.22 174.52 1cw3 s PRO 38 N -1.62 4.08 -0.14 1.99 0.04 -1.26 -0.45 135.00 137.63 1cw3 s PRO 38 Ca -0.03 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.66 1cw3 s PRO 38 Cb -0.10 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 1cw3 s PRO 38 CO 0.02 0.38 -0.11 -0.08 0.04 0.00 0.00 177.00 177.25 1cw3 s THR 39 N -1.59 3.15 0.14 1.26 -1.32 -0.88 -4.95 115.64 111.45 1cw3 s THR 39 Ca 0.43 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1cw3 s THR 39 Cb -0.15 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1cw3 s THR 39 CO 0.20 0.51 0.31 -0.69 -2.21 0.00 0.00 174.62 172.73 1cw3 s VAL 40 N 0.49 5.29 -0.49 5.08 1.01 -1.26 -0.72 120.40 129.81 1cw3 s VAL 40 Ca -0.08 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1cw3 s VAL 40 Cb -0.15 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1cw3 s VAL 40 CO 0.04 -0.04 0.61 0.21 0.00 0.00 0.00 175.10 175.91 1cw3 s ASN 41 N -2.95 6.23 0.32 3.32 3.04 0.01 -4.77 114.94 120.15 1cw3 s ASN 41 Ca 0.36 -0.81 0.20 0.00 0.04 0.00 0.00 52.86 52.66 1cw3 s ASN 41 Cb -0.12 -2.29 1.08 0.00 -1.54 0.00 0.00 41.25 38.39 1cw3 s ASN 41 CO 0.28 -0.84 1.59 -0.81 -3.04 0.00 0.00 177.10 174.28 1cw3 n PRO 42 N 6.12 0.13 0.06 0.43 -0.04 -1.26 0.39 135.00 140.83 1cw3 n PRO 42 Ca -0.06 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.96 1cw3 n PRO 42 Cb 0.46 -1.98 -0.11 0.00 -0.04 0.00 0.00 33.50 31.83 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 -1.49 113.55 113.73 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 0.96 -0.44 0.35 -1.14 0.00 0.00 176.83 176.56 1cw3 n THR 44 N -3.31 0.00 -0.87 -2.27 -2.24 -0.78 -3.71 114.28 101.10 1cw3 n THR 44 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1cw3 n THR 44 Cb 0.94 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.66 0.84 3.85 3.38 0.00 0.16 -4.50 105.19 110.57 1cw3 n GLY 45 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1cw3 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cw3 s GLU 46 N -0.20 4.01 0.16 1.61 0.41 -1.24 -4.76 118.70 118.70 1cw3 s GLU 46 Ca 0.00 0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 54.97 1cw3 s GLU 46 Cb 0.00 -2.40 -0.08 0.00 -1.78 0.00 0.00 34.13 29.88 1cw3 s GLU 46 CO 0.00 0.12 1.17 0.08 -0.49 0.00 0.00 175.26 176.14 1cw3 s VAL 47 N -2.04 3.71 -0.16 2.63 1.01 -1.26 -0.81 120.40 123.48 1cw3 s VAL 47 Ca 0.55 1.41 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 1cw3 s VAL 47 Cb -0.10 -3.90 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 1cw3 s VAL 47 CO 0.18 0.21 0.41 0.40 0.00 0.00 0.00 175.10 176.30 1cw3 h ILE 48 N 3.86 1.14 -2.41 2.22 2.04 -1.25 -3.46 117.51 119.65 1cw3 h ILE 48 Ca -0.44 -2.04 0.23 0.00 1.00 0.00 0.00 64.86 63.61 1cw3 h ILE 48 Cb 1.21 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 1cw3 h ILE 48 CO 0.75 0.39 0.70 0.00 0.00 0.00 0.00 178.15 179.99 1cw3 s GLN 50 N -2.07 3.60 -0.01 0.00 2.00 -1.26 -2.07 119.66 119.85 1cw3 s GLN 50 Ca 0.25 -0.05 0.05 0.00 -2.00 0.00 0.00 55.36 53.61 1cw3 s GLN 50 Cb -0.02 -3.07 -0.01 0.00 0.80 0.00 0.00 33.01 30.70 1cw3 s GLN 50 CO 0.03 0.64 -0.15 0.08 -0.50 0.00 0.00 175.29 175.39 1cw3 s VAL 51 N -1.30 1.22 0.15 1.34 1.01 0.40 -4.84 120.40 118.37 1cw3 s VAL 51 Ca 0.28 -0.67 -0.33 0.00 0.00 0.00 0.00 61.98 61.26 1cw3 s VAL 51 Cb -0.13 -1.01 -0.12 0.00 0.00 0.00 0.00 36.38 35.11 1cw3 s VAL 51 CO 0.16 0.34 1.71 0.00 0.00 0.00 0.00 175.10 177.31 1cw3 n ALA 52 N 2.68 2.05 -3.10 5.51 0.00 0.22 -0.75 120.51 127.12 1cw3 n ALA 52 Ca -0.14 0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.24 1cw3 n ALA 52 Cb 0.55 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 1.60 3.30 0.41 0.00 2.12 -0.48 -4.43 118.70 121.23 1cw3 s GLU 53 Ca 0.79 -1.66 -0.23 0.00 0.36 0.00 0.00 54.97 54.23 1cw3 s GLU 53 Cb -0.57 -4.46 -0.09 0.00 0.26 0.00 0.00 34.13 29.27 1cw3 s GLU 53 CO 0.37 -1.55 1.04 0.20 -0.54 0.00 0.00 175.26 174.77 1cw3 s GLY 54 N 3.32 2.69 0.00 -1.50 0.00 0.97 -4.76 107.32 108.03 1cw3 s GLY 54 Ca 0.18 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1cw3 s GLY 54 CO -0.01 1.08 0.00 1.34 0.00 0.00 0.00 173.10 175.51 1cw3 n ASP 55 N -0.23 0.23 -0.23 1.64 -0.08 -1.26 -4.09 116.55 112.54 1cw3 n ASP 55 Ca 0.06 -0.97 -0.00 0.00 -1.51 0.00 0.00 54.79 52.37 1cw3 n ASP 55 Cb 0.50 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.03 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 -0.01 -0.40 -0.67 3.64 -1.90 -0.90 116.57 116.34 1cw3 h LYS 56 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1cw3 h LYS 56 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1cw3 h LYS 56 CO 0.00 -0.00 0.27 0.93 -2.27 0.00 0.00 179.45 178.37 1cw3 h GLU 57 N -0.01 0.47 -0.02 1.90 5.08 -1.97 -0.22 114.58 119.81 1cw3 h GLU 57 Ca 0.32 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.40 1cw3 h GLU 57 Cb 0.50 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.66 1cw3 h GLU 57 CO -0.69 0.31 -0.99 -0.44 -1.00 0.00 0.00 179.01 176.20 1cw3 h ASP 58 N 0.48 0.83 -0.94 1.42 3.32 -1.61 -2.84 116.42 117.09 1cw3 h ASP 58 Ca 0.16 -0.65 0.01 0.00 0.02 0.00 0.00 57.03 56.57 1cw3 h ASP 58 Cb 0.03 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1cw3 h ASP 58 CO -0.04 1.45 0.62 0.58 -1.72 0.00 0.00 179.24 180.13 1cw3 h VAL 59 N 0.38 1.23 -0.41 -1.35 2.07 -0.37 -0.62 116.25 117.18 1cw3 h VAL 59 Ca -0.11 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1cw3 h VAL 59 Cb 1.63 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1cw3 h VAL 59 CO 0.19 0.23 0.08 0.44 0.02 0.00 0.00 177.57 178.53 1cw3 h ASP 60 N 1.26 0.58 -0.44 0.57 3.32 -1.03 0.13 116.42 120.82 1cw3 h ASP 60 Ca 0.35 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1cw3 h ASP 60 Cb -0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1cw3 h ASP 60 CO -0.08 0.60 -0.17 0.11 -1.72 0.00 0.00 179.24 177.98 1cw3 h LYS 61 N 0.61 0.89 -0.21 3.56 1.57 -0.93 -2.05 116.57 120.01 1cw3 h LYS 61 Ca 0.14 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1cw3 h LYS 61 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1cw3 h LYS 61 CO 0.00 1.02 -0.04 0.00 -0.57 0.00 0.00 179.45 179.85 1cw3 h ALA 62 N 0.85 0.29 -0.77 3.86 0.00 -0.62 -2.08 119.26 120.77 1cw3 h ALA 62 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cw3 h ALA 62 Cb 0.73 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1cw3 h ALA 62 CO 0.06 0.06 0.45 0.28 0.00 0.00 0.00 179.25 180.10 1cw3 h VAL 63 N 0.13 1.22 -0.47 0.00 2.07 -0.74 -0.29 116.25 118.16 1cw3 h VAL 63 Ca 0.05 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1cw3 h VAL 63 Cb 0.49 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1cw3 h VAL 63 CO 0.02 0.24 -0.11 0.11 0.02 0.00 0.00 177.57 177.85 1cw3 h LYS 64 N 1.07 0.87 -0.24 1.57 1.57 -1.28 0.37 116.57 120.50 1cw3 h LYS 64 Ca 0.28 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1cw3 h LYS 64 Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1cw3 h LYS 64 CO -0.05 0.93 -0.04 0.00 -0.57 0.00 0.00 179.45 179.72 1cw3 h ALA 65 N 1.09 0.32 -0.53 3.86 0.00 -0.77 -1.93 119.26 121.32 1cw3 h ALA 65 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1cw3 h ALA 65 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cw3 h ALA 65 CO 0.04 0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1cw3 h ALA 66 N 0.77 0.70 -0.26 0.00 0.00 -0.95 -1.75 119.26 117.78 1cw3 h ALA 66 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cw3 h ALA 66 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cw3 h ALA 66 CO 0.02 0.39 0.16 -0.09 0.00 0.00 0.00 179.25 179.73 1cw3 h ARG 67 N 0.74 0.32 -0.99 0.00 9.65 -0.89 -2.05 114.38 121.17 1cw3 h ARG 67 Ca 0.17 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 1cw3 h ARG 67 Cb 0.33 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1cw3 h ARG 67 CO 0.00 0.21 0.65 0.00 2.80 0.00 0.00 179.97 183.63 1cw3 h ALA 68 N 1.10 1.25 0.00 2.80 0.00 -1.18 -1.20 119.26 122.04 1cw3 h ALA 68 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cw3 h ALA 68 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.36 1cw3 h ALA 68 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1cw3 h ALA 69 N 1.36 1.00 -0.49 0.00 0.00 -0.97 -2.58 119.26 117.57 1cw3 h ALA 69 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1cw3 h ALA 69 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cw3 h ALA 69 CO -0.08 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.51 1cw3 n PHE 70 N -2.89 0.64 -2.19 0.00 7.35 -0.47 -4.43 117.46 115.47 1cw3 n PHE 70 Ca 0.01 -0.32 -0.41 0.00 -0.76 0.00 0.00 57.45 55.96 1cw3 n PHE 70 Cb 0.26 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.06 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 -1.36 4.39 0.13 -4.13 -1.52 -0.98 -4.92 119.66 111.27 1cw3 s GLN 71 Ca 0.40 2.10 -0.34 0.00 -1.95 0.00 0.00 55.36 55.56 1cw3 s GLN 71 Cb 0.22 -3.16 -0.14 0.00 -0.22 0.00 0.00 33.01 29.71 1cw3 s GLN 71 CO 0.29 -0.22 1.57 -0.11 -0.25 0.00 0.00 175.29 176.58 1cw3 n LEU 72 N 2.09 2.93 0.00 2.90 7.94 -1.26 -0.80 117.00 130.80 1cw3 n LEU 72 Ca 0.04 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1cw3 n LEU 72 Cb 0.42 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1cw3 n LEU 72 CO 0.58 -0.37 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 1cw3 n GLY 73 N 3.38 0.40 3.85 -3.96 0.00 -1.26 -5.07 105.19 102.53 1cw3 n GLY 73 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1cw3 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 74 N -2.43 5.34 0.26 1.61 1.04 0.02 -4.80 113.70 114.74 1cw3 s SER 74 Ca 0.00 1.34 -0.01 0.00 0.48 0.00 0.00 55.95 57.76 1cw3 s SER 74 Cb 0.00 -2.19 0.54 0.00 0.10 0.00 0.00 66.02 64.46 1cw3 s SER 74 CO 0.00 -1.43 1.77 -0.65 0.98 0.00 0.00 173.24 173.90 1cw3 h PRO 75 N -0.71 0.62 -0.40 4.02 0.11 -1.87 -0.41 132.00 133.35 1cw3 h PRO 75 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1cw3 h PRO 75 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1cw3 h PRO 75 CO 0.61 0.41 -0.28 2.35 -0.21 0.00 0.00 178.00 180.88 1cw3 h TRP 76 N 0.64 1.06 -0.04 0.65 2.91 -1.93 -1.36 115.95 117.88 1cw3 h TRP 76 Ca 0.47 -0.29 -0.16 0.00 1.13 0.00 0.00 58.89 60.04 1cw3 h TRP 76 Cb 0.65 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 1cw3 h TRP 76 CO -0.09 1.09 -0.69 0.00 -1.03 0.00 0.00 178.44 177.73 1cw3 h ARG 77 N 0.72 0.20 0.00 2.65 2.47 -1.65 -3.23 114.38 115.53 1cw3 h ARG 77 Ca 0.08 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 1cw3 h ARG 77 Cb 0.86 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1cw3 h ARG 77 CO 0.08 0.81 -0.51 0.00 0.56 0.00 0.00 179.97 180.90 1cw3 h ARG 78 N 0.14 0.00 -6.81 0.04 3.08 -1.09 -3.47 114.38 106.27 1cw3 h ARG 78 Ca -0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.47 1cw3 h ARG 78 Cb 1.23 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.39 1cw3 h ARG 78 CO 0.10 0.10 0.54 -0.12 -1.07 0.00 0.00 179.97 179.53 1cw3 n MET 79 N -2.97 2.13 -2.10 0.04 1.56 -0.52 -4.93 117.12 110.33 1cw3 n MET 79 Ca 0.01 0.75 -0.41 0.00 -0.27 0.00 0.00 57.70 57.79 1cw3 n MET 79 Cb 0.60 -2.40 -0.02 0.00 2.15 0.00 0.00 33.22 33.54 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 -0.37 6.76 0.35 6.12 1.01 -1.26 -4.90 116.67 124.38 1cw3 s ASP 80 Ca 0.57 2.66 0.08 0.00 0.71 0.00 0.00 52.55 56.58 1cw3 s ASP 80 Cb -0.53 -2.64 0.80 0.00 1.01 0.00 0.00 42.92 41.56 1cw3 s ASP 80 CO 0.61 -0.57 1.88 0.00 0.21 0.00 0.00 175.17 177.30 1cw3 h ALA 81 N 3.87 1.81 -0.52 5.23 0.00 -1.92 0.43 119.26 128.17 1cw3 h ALA 81 Ca -0.48 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1cw3 h ALA 81 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1cw3 h ALA 81 CO 0.69 -0.04 0.13 0.66 0.00 0.00 0.00 179.25 180.69 1cw3 h SER 82 N 0.71 0.73 0.67 0.00 4.64 -1.91 -1.87 113.55 116.52 1cw3 h SER 82 Ca 0.43 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1cw3 h SER 82 Cb 0.66 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1cw3 h SER 82 CO -0.19 0.72 -0.34 -0.74 -0.87 0.00 0.00 176.83 175.40 1cw3 h HIS 83 N 0.76 0.00 -0.57 4.77 6.17 -1.29 -2.03 115.15 122.96 1cw3 h HIS 83 Ca 0.17 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.18 1cw3 h HIS 83 Cb 0.28 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.19 1cw3 h HIS 83 CO 0.02 0.34 0.08 0.00 0.71 0.00 0.00 177.93 179.08 1cw3 h ARG 84 N 0.00 0.95 -0.59 5.26 3.08 -0.85 -0.90 114.38 121.33 1cw3 h ARG 84 Ca -0.00 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1cw3 h ARG 84 Cb 0.77 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1cw3 h ARG 84 CO 0.04 0.92 0.29 0.78 -1.07 0.00 0.00 179.97 180.94 1cw3 h GLY 85 N 0.85 0.88 0.84 0.04 0.00 -1.11 -0.40 103.07 104.17 1cw3 h GLY 85 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1cw3 h GLY 85 CO 0.01 0.38 0.04 3.21 0.00 0.00 0.00 176.54 180.19 1cw3 h ARG 86 N 0.82 0.24 -0.89 4.80 2.47 -0.77 -1.33 114.38 119.72 1cw3 h ARG 86 Ca 0.21 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1cw3 h ARG 86 Cb 0.07 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 1cw3 h ARG 86 CO -0.03 0.39 0.55 -0.07 0.56 0.00 0.00 179.97 181.36 1cw3 h LEU 87 N 0.06 1.06 -1.02 3.04 3.38 -0.67 0.77 115.31 121.93 1cw3 h LEU 87 Ca 0.05 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1cw3 h LEU 87 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1cw3 h LEU 87 CO -0.00 0.81 -0.27 -0.07 0.09 0.00 0.00 178.44 179.00 1cw3 h LEU 88 N 1.23 0.38 -0.49 1.67 3.38 -0.91 -0.21 115.31 120.37 1cw3 h LEU 88 Ca 0.32 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1cw3 h LEU 88 Cb -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1cw3 h LEU 88 CO -0.06 0.65 -0.57 0.78 0.09 0.00 0.00 178.44 179.33 1cw3 h ASN 89 N 0.34 0.00 -0.07 -0.43 2.35 -0.52 -2.53 115.58 114.72 1cw3 h ASN 89 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1cw3 h ASN 89 Cb 0.65 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 1cw3 h ASN 89 CO 0.05 0.57 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.20 1cw3 h ARG 90 N 0.00 0.19 -0.51 0.81 9.65 -0.37 -2.33 114.38 121.82 1cw3 h ARG 90 Ca -0.01 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1cw3 h ARG 90 Cb 1.22 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.75 1cw3 h ARG 90 CO 0.07 0.67 0.18 1.25 2.80 0.00 0.00 179.97 184.94 1cw3 h LEU 91 N -0.27 0.17 -1.40 3.80 5.85 -1.03 -0.37 115.31 122.06 1cw3 h LEU 91 Ca 0.01 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1cw3 h LEU 91 Cb 0.65 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1cw3 h LEU 91 CO 0.02 0.12 0.47 0.00 -0.34 0.00 0.00 178.44 178.72 1cw3 h ALA 92 N 1.35 1.73 -0.27 1.25 0.00 -1.40 -0.32 119.26 121.59 1cw3 h ALA 92 Ca 0.25 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1cw3 h ALA 92 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cw3 h ALA 92 CO -0.26 0.16 -0.40 -0.44 0.00 0.00 0.00 179.25 178.31 1cw3 h ASP 93 N 0.72 0.83 -0.40 0.00 3.32 -0.53 -0.90 116.42 119.45 1cw3 h ASP 93 Ca 0.31 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1cw3 h ASP 93 Cb 0.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1cw3 h ASP 93 CO -0.10 1.18 0.14 -0.07 -1.72 0.00 0.00 179.24 178.66 1cw3 h LEU 94 N 0.50 0.58 -1.00 1.55 3.38 -0.64 -0.51 115.31 119.18 1cw3 h LEU 94 Ca 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1cw3 h LEU 94 Cb 1.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1cw3 h LEU 94 CO 0.09 0.62 0.52 0.40 0.09 0.00 0.00 178.44 180.16 1cw3 h ILE 95 N 0.51 1.25 0.00 1.22 2.04 -1.00 -1.62 117.51 119.91 1cw3 h ILE 95 Ca 0.13 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 1cw3 h ILE 95 Cb 0.24 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1cw3 h ILE 95 CO -0.01 0.27 -0.51 -0.08 0.00 0.00 0.00 178.15 177.82 1cw3 h GLU 96 N 1.22 0.00 -0.35 2.37 4.81 -0.85 -1.62 114.58 120.16 1cw3 h GLU 96 Ca 0.32 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1cw3 h GLU 96 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1cw3 h GLU 96 CO -0.06 0.51 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.58 1cw3 h ARG 97 N 0.00 0.67 -1.00 1.92 2.43 -0.32 -3.01 114.38 115.08 1cw3 h ARG 97 Ca -0.01 -0.25 -0.46 0.00 -0.81 0.00 0.00 59.98 58.46 1cw3 h ARG 97 Cb 0.94 -0.04 -0.27 0.00 -0.42 0.00 0.00 29.97 30.17 1cw3 h ARG 97 CO 0.07 0.82 0.58 -0.25 -1.51 0.00 0.00 179.97 179.68 1cw3 n ASP 98 N -4.43 3.68 0.06 -3.80 8.00 -0.68 -4.69 116.55 114.69 1cw3 n ASP 98 Ca -0.02 -3.43 -0.11 0.00 0.71 0.00 0.00 54.79 51.94 1cw3 n ASP 98 Cb 0.33 -0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 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 0.90 -0.21 -0.70 -1.24 2.43 -1.15 -1.34 114.38 113.07 1cw3 h ARG 99 Ca 0.57 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.72 1cw3 h ARG 99 Cb 2.67 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 32.23 1cw3 h ARG 99 CO 0.99 -0.14 0.31 1.79 -1.51 0.00 0.00 179.97 181.40 1cw3 h THR 100 N -0.21 1.23 0.60 0.20 1.35 -1.86 -0.61 112.91 113.60 1cw3 h THR 100 Ca 0.04 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1cw3 h THR 100 Cb 0.26 0.37 0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1cw3 h THR 100 CO -0.11 0.28 -0.29 0.22 -0.25 0.00 0.00 175.52 175.37 1cw3 h TYR 101 N 0.99 -0.74 -0.27 4.73 3.20 -1.86 -2.30 116.97 120.72 1cw3 h TYR 101 Ca 0.24 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1cw3 h TYR 101 Cb 0.14 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1cw3 h TYR 101 CO 0.01 -0.42 0.18 -0.07 -1.64 0.00 0.00 178.16 176.23 1cw3 h LEU 102 N -0.94 0.28 -0.70 2.82 3.38 -1.16 0.19 115.31 119.19 1cw3 h LEU 102 Ca -0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1cw3 h LEU 102 Cb 0.66 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1cw3 h LEU 102 CO 0.13 0.20 -0.16 0.00 0.09 0.00 0.00 178.44 178.70 1cw3 h ALA 103 N 1.83 0.89 -0.04 1.53 0.00 -1.04 -0.09 119.26 122.35 1cw3 h ALA 103 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1cw3 h ALA 103 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cw3 h ALA 103 CO -0.02 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.58 1cw3 h ALA 104 N 1.07 0.09 -0.34 0.00 0.00 -0.73 -2.80 119.26 116.56 1cw3 h ALA 104 Ca 0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1cw3 h ALA 104 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1cw3 h ALA 104 CO 0.05 0.13 0.05 1.25 0.00 0.00 0.00 179.25 180.72 1cw3 h LEU 105 N -0.29 0.47 -0.17 0.00 5.85 -0.97 0.28 115.31 120.48 1cw3 h LEU 105 Ca -0.02 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1cw3 h LEU 105 Cb 0.95 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1cw3 h LEU 105 CO 0.06 0.50 0.09 -0.08 -0.34 0.00 0.00 178.44 178.67 1cw3 h GLU 106 N 0.49 0.23 -0.54 1.25 4.57 -1.01 -1.75 114.58 117.82 1cw3 h GLU 106 Ca 0.11 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1cw3 h GLU 106 Cb 0.25 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1cw3 h GLU 106 CO 0.00 0.24 0.08 1.15 -1.18 0.00 0.00 179.01 179.30 1cw3 h THR 107 N 0.16 1.25 -0.49 0.32 2.02 -1.18 0.30 112.91 115.30 1cw3 h THR 107 Ca 0.06 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.30 1cw3 h THR 107 Cb 0.08 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1cw3 h THR 107 CO -0.01 0.35 0.28 0.25 0.37 0.00 0.00 175.52 176.76 1cw3 h LEU 108 N 0.79 0.43 0.00 2.58 5.85 -0.77 0.32 115.31 124.51 1cw3 h LEU 108 Ca 0.16 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 1cw3 h LEU 108 Cb 0.42 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1cw3 h LEU 108 CO 0.01 0.30 -1.13 -0.78 -0.34 0.00 0.00 178.44 176.51 1cw3 h ASP 109 N 0.55 0.00 0.00 1.25 3.58 -1.24 -3.39 116.42 117.17 1cw3 h ASP 109 Ca 0.21 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.29 1cw3 h ASP 109 Cb 0.06 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 1cw3 h ASP 109 CO -0.11 0.66 -2.39 -3.20 -2.88 0.00 0.00 179.24 171.32 1cw3 n ASN 110 N -3.07 1.92 0.00 2.28 2.85 0.11 -4.66 115.26 114.69 1cw3 n ASN 110 Ca -0.06 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1cw3 n ASN 110 Cb 0.85 -0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1cw3 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cw3 n GLY 111 N 2.28 2.96 3.76 8.20 0.00 0.11 -4.30 105.19 118.19 1cw3 n GLY 111 Ca -0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.64 3.32 0.24 1.61 -2.85 -1.26 -3.74 119.74 116.42 1cw3 s LYS 112 Ca 0.00 2.04 -0.31 0.00 -1.00 0.00 0.00 55.97 56.70 1cw3 s LYS 112 Cb 0.00 -2.26 -0.14 0.00 -2.06 0.00 0.00 37.83 33.37 1cw3 s LYS 112 CO 0.00 -0.99 1.26 -2.30 0.10 0.00 0.00 175.35 173.42 1cw3 n PRO 113 N -0.92 1.69 -0.27 1.78 -0.02 -1.26 -4.48 135.00 131.52 1cw3 n PRO 113 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1cw3 n PRO 113 Cb 0.47 -2.16 0.21 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.42 1.04 -0.97 6.00 3.20 -1.49 -0.85 116.97 127.32 1cw3 h TYR 114 Ca -0.44 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1cw3 h TYR 114 Cb 1.31 -0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 1cw3 h TYR 114 CO 0.54 0.64 0.64 0.28 -1.64 0.00 0.00 178.16 178.62 1cw3 h VAL 115 N 1.11 1.18 -0.16 1.81 2.07 -1.90 -0.60 116.25 119.76 1cw3 h VAL 115 Ca 0.31 -0.43 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 1cw3 h VAL 115 Cb -0.10 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.51 1cw3 h VAL 115 CO -0.07 0.23 -0.70 0.40 0.02 0.00 0.00 177.57 177.45 1cw3 h ILE 116 N 1.24 1.29 -0.79 4.57 1.08 -1.71 -0.81 117.51 122.38 1cw3 h ILE 116 Ca 0.38 -1.91 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 1cw3 h ILE 116 Cb -0.02 1.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 1cw3 h ILE 116 CO -0.11 0.60 0.50 0.28 -0.69 0.00 0.00 178.15 178.73 1cw3 h SER 117 N 0.48 0.83 0.28 1.72 0.02 -0.67 0.22 113.55 116.43 1cw3 h SER 117 Ca -0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1cw3 h SER 117 Cb 1.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1cw3 h SER 117 CO 0.15 0.57 -0.14 0.22 -1.14 0.00 0.00 176.83 176.49 1cw3 h TYR 118 N 0.98 -0.35 -0.37 3.45 3.20 -1.10 -0.59 116.97 122.19 1cw3 h TYR 118 Ca 0.32 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 1cw3 h TYR 118 Cb 0.02 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1cw3 h TYR 118 CO -0.03 -0.22 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.07 1cw3 h LEU 119 N -0.86 0.75 0.00 2.82 3.38 -1.18 -3.31 115.31 116.91 1cw3 h LEU 119 Ca -0.04 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1cw3 h LEU 119 Cb 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cw3 h LEU 119 CO 0.06 0.97 0.00 0.52 0.09 0.00 0.00 178.44 180.08 1cw3 n VAL 120 N -4.34 0.00 -0.10 1.22 0.31 0.66 -4.14 118.33 111.95 1cw3 n VAL 120 Ca -0.02 0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1cw3 n VAL 120 Cb 0.38 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 1cw3 n VAL 120 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1cw3 h ASP 121 N 0.00 -1.24 1.04 4.52 3.32 -1.23 -1.30 116.42 121.52 1cw3 h ASP 121 Ca 0.00 0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1cw3 h ASP 121 Cb 0.00 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1cw3 h ASP 121 CO 0.00 -0.36 -0.23 -0.07 -1.72 0.00 0.00 179.24 176.86 1cw3 h LEU 122 N -0.32 0.00 -0.05 1.55 4.07 -1.21 -2.06 115.31 117.29 1cw3 h LEU 122 Ca 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1cw3 h LEU 122 Cb 0.57 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1cw3 h LEU 122 CO -0.52 0.23 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.26 1cw3 h ASP 123 N 0.00 0.11 0.18 -0.43 3.58 -1.52 -2.21 116.42 116.14 1cw3 h ASP 123 Ca -0.00 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 56.95 1cw3 h ASP 123 Cb 0.82 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1cw3 h ASP 123 CO 0.03 0.55 -0.17 0.24 -2.88 0.00 0.00 179.24 177.01 1cw3 h MET 124 N -0.33 0.00 0.31 0.28 2.86 -1.16 0.28 114.93 117.17 1cw3 h MET 124 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1cw3 h MET 124 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1cw3 h MET 124 CO 0.01 0.17 -0.15 0.28 1.06 0.00 0.00 176.91 178.29 1cw3 h VAL 125 N 0.00 0.70 -0.81 -2.22 2.07 -1.29 -1.45 116.25 113.25 1cw3 h VAL 125 Ca -0.00 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1cw3 h VAL 125 Cb 0.31 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1cw3 h VAL 125 CO 0.02 0.11 0.49 -0.07 0.02 0.00 0.00 177.57 178.14 1cw3 h LEU 126 N -0.72 0.77 -0.86 2.57 3.38 -1.03 -0.94 115.31 118.46 1cw3 h LEU 126 Ca -0.04 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1cw3 h LEU 126 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cw3 h LEU 126 CO 0.07 0.49 -0.36 0.11 0.09 0.00 0.00 178.44 178.83 1cw3 h LYS 127 N 0.90 0.41 -0.10 1.13 1.57 -0.95 -1.71 116.57 117.81 1cw3 h LYS 127 Ca 0.36 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1cw3 h LYS 127 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1cw3 h LYS 127 CO -0.18 0.72 -0.36 0.00 -0.57 0.00 0.00 179.45 179.06 1cw3 h LEU 129 N -0.01 1.00 -0.91 0.00 3.38 -1.18 -2.15 115.31 115.45 1cw3 h LEU 129 Ca -0.01 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1cw3 h LEU 129 Cb 0.98 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1cw3 h LEU 129 CO 0.08 1.06 -0.51 0.03 0.09 0.00 0.00 178.44 179.18 1cw3 h ARG 130 N 0.91 0.09 0.05 1.13 3.08 -1.37 -1.57 114.38 116.70 1cw3 h ARG 130 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1cw3 h ARG 130 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1cw3 h ARG 130 CO 0.03 0.58 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.56 1cw3 h TYR 131 N 0.07 -0.07 0.00 3.04 3.20 -1.15 -3.09 116.97 118.98 1cw3 h TYR 131 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1cw3 h TYR 131 Cb 0.93 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1cw3 h TYR 131 CO 0.01 0.27 -0.18 1.88 -1.64 0.00 0.00 178.16 178.50 1cw3 h TYR 132 N -0.41 0.00 -0.49 -3.82 -1.99 -1.35 -2.32 116.97 106.59 1cw3 h TYR 132 Ca -0.01 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1cw3 h TYR 132 Cb 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1cw3 h TYR 132 CO 0.04 0.18 0.32 0.00 -0.00 0.00 0.00 178.16 178.70 1cw3 h ALA 133 N 1.82 1.67 0.00 3.88 0.00 -1.20 -1.13 119.26 124.30 1cw3 h ALA 133 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1cw3 h ALA 133 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1cw3 h ALA 133 CO 0.02 0.31 -0.21 0.78 0.00 0.00 0.00 179.25 180.15 1cw3 h GLY 134 N 0.65 0.00 1.85 0.00 0.00 -1.40 -3.04 103.07 101.12 1cw3 h GLY 134 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1cw3 h GLY 134 CO -0.04 0.00 -0.27 1.49 0.00 0.00 0.00 176.54 177.72 1cw3 h TRP 135 N 0.00 0.00 -0.87 5.60 4.06 -1.24 -3.39 115.95 120.11 1cw3 h TRP 135 Ca -0.00 0.00 0.34 0.00 2.06 0.00 0.00 58.89 61.29 1cw3 h TRP 135 Cb 0.74 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.74 1cw3 h TRP 135 CO 0.00 0.12 0.38 0.00 -3.56 0.00 0.00 178.44 175.37 1cw3 n ALA 136 N -2.14 0.80 -1.92 1.49 0.00 -1.10 -1.38 120.51 116.26 1cw3 n ALA 136 Ca 0.03 0.90 -0.04 0.00 0.00 0.00 0.00 53.44 54.33 1cw3 n ALA 136 Cb 0.58 -0.84 0.12 0.00 0.00 0.00 0.00 19.45 19.31 1cw3 n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cw3 n ASP 137 N -5.03 2.58 0.00 0.00 3.85 -1.26 -4.65 116.55 112.04 1cw3 n ASP 137 Ca 0.30 -3.51 0.00 0.00 -0.71 0.00 0.00 54.79 50.88 1cw3 n ASP 137 Cb 1.03 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 40.36 1cw3 n ASP 137 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1cw3 n LYS 138 N -0.77 0.07 -2.55 0.11 5.02 -0.48 -4.90 118.16 114.66 1cw3 n LYS 138 Ca 0.24 -0.36 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1cw3 n LYS 138 Cb 0.84 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1cw3 n LYS 138 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1cw3 n TYR 139 N -0.05 3.43 -1.92 2.13 9.36 -1.22 -4.98 117.16 123.90 1cw3 n TYR 139 Ca 0.00 -2.93 -0.37 0.00 3.32 0.00 0.00 57.90 57.91 1cw3 n TYR 139 Cb 0.25 -1.95 0.03 0.00 -0.63 0.00 0.00 39.34 37.04 1cw3 n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1cw3 s HIS 140 N 0.39 2.39 0.00 2.98 3.76 -1.26 -4.83 115.29 118.72 1cw3 s HIS 140 Ca 0.40 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 1cw3 s HIS 140 Cb 0.06 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.12 1cw3 s HIS 140 CO 0.01 -2.48 0.00 0.41 -0.85 0.00 0.00 174.74 171.83 1cw3 n GLY 141 N 0.64 0.92 3.09 -2.22 0.00 -1.26 -4.96 105.19 101.40 1cw3 n GLY 141 Ca 0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 1cw3 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cw3 s LYS 142 N 1.71 0.61 -0.21 1.61 1.02 -1.23 -4.95 119.74 118.29 1cw3 s LYS 142 Ca 0.00 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 54.78 1cw3 s LYS 142 Cb 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1cw3 s LYS 142 CO 0.00 -0.09 -0.06 0.95 -0.92 0.00 0.00 175.35 175.23 1cw3 s THR 143 N -3.67 3.31 -0.12 2.17 -4.23 -1.26 -0.50 115.64 111.34 1cw3 s THR 143 Ca 0.06 -0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1cw3 s THR 143 Cb 0.06 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1cw3 s THR 143 CO -0.09 0.44 0.00 -0.63 -0.54 0.00 0.00 174.62 173.80 1cw3 s ILE 144 N 1.35 4.29 -1.56 2.99 1.01 0.13 -4.97 121.20 124.45 1cw3 s ILE 144 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1cw3 s ILE 144 Cb -0.14 -2.84 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 1cw3 s ILE 144 CO -0.03 0.56 2.99 -0.81 0.00 0.00 0.00 174.94 177.65 1cw3 n PRO 145 N 2.70 3.64 -1.58 2.79 -0.04 -1.26 -3.93 135.00 137.33 1cw3 n PRO 145 Ca -0.18 -2.16 -0.32 0.00 -0.04 0.00 0.00 63.50 60.80 1cw3 n PRO 145 Cb 0.53 -2.77 0.06 0.00 -0.04 0.00 0.00 33.50 31.29 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 2.10 3.20 0.88 0.52 2.07 -1.26 -5.03 121.20 123.68 1cw3 s ILE 146 Ca 0.70 0.50 -0.11 0.00 -1.41 0.00 0.00 60.65 60.33 1cw3 s ILE 146 Cb 0.19 -3.01 0.12 0.00 0.13 0.00 0.00 42.46 39.88 1cw3 s ILE 146 CO -0.06 -0.40 1.09 -1.81 -1.91 0.00 0.00 174.94 171.86 1cw3 s ASP 147 N -2.79 3.67 0.18 4.50 1.01 -1.26 -4.81 116.67 117.18 1cw3 s ASP 147 Ca 0.66 1.45 0.00 0.00 0.71 0.00 0.00 52.55 55.37 1cw3 s ASP 147 Cb -0.20 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1cw3 s ASP 147 CO 0.46 -2.51 0.00 0.61 0.21 0.00 0.00 175.17 173.94 1cw3 n GLY 148 N -1.32 -1.81 2.84 0.21 0.00 -1.26 -4.44 105.19 99.41 1cw3 n GLY 148 Ca 0.07 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1cw3 n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cw3 n ASP 149 N -2.80 4.10 -4.02 1.61 8.00 -1.26 -4.78 116.55 117.39 1cw3 n ASP 149 Ca -0.00 -2.87 -0.09 0.00 0.71 0.00 0.00 54.79 52.53 1cw3 n ASP 149 Cb 0.31 -1.65 -0.11 0.00 -0.02 0.00 0.00 41.12 39.65 1cw3 n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cw3 s PHE 150 N 3.05 0.39 -0.37 1.24 0.40 -1.26 -1.42 117.98 120.01 1cw3 s PHE 150 Ca 0.47 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 56.08 1cw3 s PHE 150 Cb 0.12 -0.27 0.05 0.00 0.51 0.00 0.00 43.02 43.43 1cw3 s PHE 150 CO -0.06 -0.20 0.18 0.12 0.70 0.00 0.00 175.22 175.95 1cw3 s PHE 151 N -1.94 3.28 -0.10 0.36 5.36 0.84 -4.80 117.98 120.98 1cw3 s PHE 151 Ca -0.10 -1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 54.55 1cw3 s PHE 151 Cb -0.06 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 40.07 1cw3 s PHE 151 CO -0.02 -0.74 -0.07 0.45 -1.46 0.00 0.00 175.22 173.38 1cw3 s SER 152 N 1.64 4.60 0.06 6.13 0.15 -1.25 -0.55 113.70 124.47 1cw3 s SER 152 Ca 0.01 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 1cw3 s SER 152 Cb -0.20 -1.41 0.05 0.00 -1.71 0.00 0.00 66.02 62.74 1cw3 s SER 152 CO 0.04 0.28 0.48 -0.72 1.20 0.00 0.00 173.24 174.52 1cw3 s TYR 153 N -0.29 -0.36 0.08 3.44 -0.85 -0.37 0.22 117.35 119.20 1cw3 s TYR 153 Ca 0.04 0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.99 1cw3 s TYR 153 Cb -0.13 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1cw3 s TYR 153 CO 0.02 -0.63 -0.04 0.95 -1.52 0.00 0.00 175.55 174.33 1cw3 s THR 154 N -2.61 3.80 -0.18 -3.49 -4.23 0.34 -0.26 115.64 109.01 1cw3 s THR 154 Ca -0.04 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1cw3 s THR 154 Cb -0.00 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 1cw3 s THR 154 CO -0.03 0.17 -0.07 -0.13 -0.54 0.00 0.00 174.62 174.02 1cw3 s ARG 155 N -2.12 3.44 -0.91 3.99 0.52 0.12 -3.56 118.95 120.43 1cw3 s ARG 155 Ca 0.23 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.65 1cw3 s ARG 155 Cb -0.11 -2.89 0.16 0.00 0.52 0.00 0.00 34.95 32.63 1cw3 s ARG 155 CO 0.15 0.01 1.03 -1.01 0.02 0.00 0.00 175.30 175.50 1cw3 s HIS 156 N 0.94 3.31 0.48 -0.53 3.76 -1.26 -1.33 115.29 120.65 1cw3 s HIS 156 Ca -0.01 -1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 53.32 1cw3 s HIS 156 Cb -0.15 -4.15 0.00 0.00 1.11 0.00 0.00 32.58 29.39 1cw3 s HIS 156 CO 0.00 -1.35 0.71 -1.21 -0.85 0.00 0.00 174.74 172.05 1cw3 s GLU 157 N 1.96 3.00 0.50 1.40 2.02 -0.75 -4.88 118.70 121.94 1cw3 s GLU 157 Ca 0.29 -0.44 -0.20 0.00 0.02 0.00 0.00 54.97 54.63 1cw3 s GLU 157 Cb -0.06 -2.51 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 1cw3 s GLU 157 CO -0.09 -0.37 1.07 -2.14 0.02 0.00 0.00 175.26 173.75 1cw3 s PRO 158 N -4.64 3.70 0.44 0.39 0.02 -1.26 -0.22 135.00 133.43 1cw3 s PRO 158 Ca 0.50 1.46 0.21 0.00 0.02 0.00 0.00 61.00 63.19 1cw3 s PRO 158 Cb -0.10 -2.11 1.02 0.00 0.02 0.00 0.00 34.50 33.33 1cw3 s PRO 158 CO 0.39 -0.53 1.90 -0.24 -0.33 0.00 0.00 177.00 178.19 1cw3 h VAL 159 N 1.51 0.81 0.00 3.83 3.04 -1.76 -3.38 116.25 120.30 1cw3 h VAL 159 Ca -0.50 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1cw3 h VAL 159 Cb 1.23 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1cw3 h VAL 159 CO 0.59 0.25 0.00 0.61 -1.01 0.00 0.00 177.57 178.01 1cw3 n GLY 160 N -0.32 0.09 3.64 3.17 0.00 -1.26 -4.81 105.19 105.70 1cw3 n GLY 160 Ca -0.01 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.15 4.48 -0.21 1.61 1.01 -1.26 -2.30 120.40 123.58 1cw3 s VAL 161 Ca 0.00 1.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1cw3 s VAL 161 Cb 0.00 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1cw3 s VAL 161 CO 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 175.10 174.63 1cw3 s GLY 163 N 0.94 2.29 -0.14 0.00 0.00 0.48 -1.23 107.32 109.66 1cw3 s GLY 163 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 1cw3 s GLY 163 CO 0.02 0.54 -0.05 1.20 0.00 0.00 0.00 173.10 174.81 1cw3 s GLN 164 N 0.46 1.38 -0.17 2.90 -0.21 -0.23 -0.75 119.66 123.03 1cw3 s GLN 164 Ca 0.20 -0.38 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 1cw3 s GLN 164 Cb -0.14 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.06 1cw3 s GLN 164 CO 0.06 -0.38 -0.07 0.42 -2.12 0.00 0.00 175.29 173.21 1cw3 s ILE 165 N 1.69 3.39 0.16 1.08 1.01 -0.64 0.12 121.20 128.01 1cw3 s ILE 165 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1cw3 s ILE 165 Cb -0.14 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1cw3 s ILE 165 CO -0.08 0.47 -0.17 0.27 0.00 0.00 0.00 174.94 175.44 1cw3 s ILE 166 N 0.84 1.69 0.02 2.92 -4.36 -0.83 -2.04 121.20 119.44 1cw3 s ILE 166 Ca -0.02 -1.93 -0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1cw3 s ILE 166 Cb -0.15 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.76 1cw3 s ILE 166 CO 0.01 -0.39 0.02 -0.81 0.24 0.00 0.00 174.94 174.01 1cw3 n PRO 167 N 0.22 -0.01 -0.00 0.37 -0.04 -1.21 -2.85 135.00 131.48 1cw3 n PRO 167 Ca -0.13 -0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1cw3 n PRO 167 Cb 0.58 -0.02 -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 -2.02 0.00 0.04 0.54 4.27 -1.26 -4.32 117.44 114.69 1cw3 n TRP 168 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 1cw3 n TRP 168 Cb 0.01 -0.14 0.39 0.00 -1.36 0.00 0.00 31.31 30.21 1cw3 n TRP 168 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 1cw3 h ASN 169 N 0.00 0.41 -2.06 -0.67 -1.07 -1.97 -3.31 115.58 106.91 1cw3 h ASN 169 Ca 0.00 -0.04 -0.56 0.00 0.07 0.00 0.00 56.30 55.76 1cw3 h ASN 169 Cb 0.46 -0.10 -0.39 0.00 -2.07 0.00 0.00 38.32 36.22 1cw3 h ASN 169 CO 0.00 0.40 -1.09 0.49 0.07 0.00 0.00 177.43 177.30 1cw3 n PHE 170 N -4.38 -0.46 -0.19 4.14 3.01 -1.26 -5.03 117.46 113.30 1cw3 n PHE 170 Ca 0.01 -3.52 -0.13 0.00 1.01 0.00 0.00 57.45 54.83 1cw3 n PHE 170 Cb 0.16 -0.25 -0.10 0.00 -0.01 0.00 0.00 39.48 39.28 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 4.27 -0.31 -0.15 -1.08 0.11 -1.79 0.17 132.00 133.22 1cw3 h PRO 171 Ca 0.10 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1cw3 h PRO 171 Cb 0.88 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1cw3 h PRO 171 CO 0.45 -0.20 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.89 1cw3 h LEU 172 N -0.32 0.32 -0.44 2.35 3.38 -1.95 -2.69 115.31 115.96 1cw3 h LEU 172 Ca 0.09 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1cw3 h LEU 172 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1cw3 h LEU 172 CO -0.64 0.66 0.28 0.25 0.09 0.00 0.00 178.44 179.08 1cw3 h LEU 173 N -0.03 0.52 -1.16 1.67 5.85 -1.80 -1.08 115.31 119.28 1cw3 h LEU 173 Ca 0.03 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1cw3 h LEU 173 Cb 0.54 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1cw3 h LEU 173 CO 0.02 0.40 0.35 0.24 -0.34 0.00 0.00 178.44 179.11 1cw3 h MET 174 N 0.59 0.93 0.07 1.25 2.86 -0.71 -0.15 114.93 119.78 1cw3 h MET 174 Ca 0.16 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1cw3 h MET 174 Cb -0.03 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.44 1cw3 h MET 174 CO -0.03 0.70 -0.03 0.37 1.06 0.00 0.00 176.91 178.97 1cw3 h GLN 175 N 0.94 -0.09 -0.45 1.72 4.15 -1.11 -3.04 115.11 117.22 1cw3 h GLN 175 Ca 0.24 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.71 1cw3 h GLN 175 Cb 0.05 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1cw3 h GLN 175 CO -0.04 0.08 0.19 0.00 -1.93 0.00 0.00 178.83 177.13 1cw3 h ALA 176 N 0.66 0.56 -0.58 3.38 0.00 -0.69 -0.58 119.26 122.01 1cw3 h ALA 176 Ca -0.01 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1cw3 h ALA 176 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cw3 h ALA 176 CO 0.02 -0.19 0.46 -1.49 0.00 0.00 0.00 179.25 178.05 1cw3 h TRP 177 N 0.38 0.00 0.00 0.00 4.06 -0.94 -0.30 115.95 119.15 1cw3 h TRP 177 Ca 0.21 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.98 1cw3 h TRP 177 Cb 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 1cw3 h TRP 177 CO -0.13 0.00 -1.22 1.63 -3.56 0.00 0.00 178.44 175.16 1cw3 n LYS 178 N -4.15 0.53 -0.34 0.49 4.76 -0.81 -4.47 118.16 114.17 1cw3 n LYS 178 Ca 0.11 0.49 -0.03 0.00 -2.87 0.00 0.00 58.31 56.01 1cw3 n LYS 178 Cb 0.69 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 32.31 1cw3 n LYS 178 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cw3 h LEU 179 N -1.00 1.07 -0.08 -0.35 3.38 -0.94 -2.90 115.31 114.48 1cw3 h LEU 179 Ca -0.28 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1cw3 h LEU 179 Cb 1.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1cw3 h LEU 179 CO -0.17 0.79 -0.22 1.23 0.09 0.00 0.00 178.44 180.16 1cw3 h GLY 180 N 1.25 -1.43 1.02 0.83 0.00 -1.28 -0.04 103.07 103.42 1cw3 h GLY 180 Ca 0.33 0.71 -0.08 0.00 0.00 0.00 0.00 47.33 48.29 1cw3 h GLY 180 CO -0.07 -0.45 -0.01 -0.56 0.00 0.00 0.00 176.54 175.45 1cw3 h PRO 181 N -0.22 0.90 0.19 4.80 0.13 -1.78 -1.71 132.00 134.31 1cw3 h PRO 181 Ca 0.02 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1cw3 h PRO 181 Cb 0.27 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1cw3 h PRO 181 CO -0.20 0.93 -0.10 0.00 -0.23 0.00 0.00 178.00 178.40 1cw3 h ALA 182 N 0.93 -0.27 -0.16 -0.56 0.00 -1.46 -2.17 119.26 115.57 1cw3 h ALA 182 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 182 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1cw3 h ALA 182 CO 0.03 -0.66 -0.42 -0.07 0.00 0.00 0.00 179.25 178.14 1cw3 h LEU 183 N -0.28 0.39 -1.64 0.00 3.38 -1.05 -1.13 115.31 114.98 1cw3 h LEU 183 Ca -0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1cw3 h LEU 183 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1cw3 h LEU 183 CO 0.03 0.76 -0.17 0.00 0.09 0.00 0.00 178.44 179.15 1cw3 h ALA 184 N 1.26 1.22 -0.09 1.53 0.00 -1.10 -2.38 119.26 119.68 1cw3 h ALA 184 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cw3 h ALA 184 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cw3 h ALA 184 CO 0.07 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.78 1cw3 n THR 185 N -3.61 0.09 -0.76 0.00 -2.24 -0.83 -4.09 114.28 102.84 1cw3 n THR 185 Ca -0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1cw3 n THR 185 Cb 0.30 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.33 0.73 3.96 3.38 0.00 -0.90 -4.16 105.19 109.53 1cw3 n GLY 186 Ca 0.16 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.60 4.97 0.11 1.61 0.01 -0.44 -4.79 114.94 113.81 1cw3 s ASN 187 Ca 0.00 0.07 0.10 0.00 -0.71 0.00 0.00 52.86 52.33 1cw3 s ASN 187 Cb 0.00 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.82 1cw3 s ASN 187 CO 0.00 -1.40 -0.26 0.68 -1.51 0.00 0.00 177.10 174.60 1cw3 s VAL 188 N -2.97 2.20 0.15 1.60 -7.23 -0.97 -4.56 120.40 108.62 1cw3 s VAL 188 Ca 0.60 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1cw3 s VAL 188 Cb -0.10 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1cw3 s VAL 188 CO 0.41 0.14 -0.12 0.68 -0.31 0.00 0.00 175.10 175.89 1cw3 s VAL 189 N -1.01 1.36 -0.27 1.32 -7.23 0.10 -0.47 120.40 114.20 1cw3 s VAL 189 Ca 0.13 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1cw3 s VAL 189 Cb -0.10 -1.79 0.08 0.00 0.56 0.00 0.00 36.38 35.14 1cw3 s VAL 189 CO 0.05 -0.60 0.06 -0.69 -0.31 0.00 0.00 175.10 173.61 1cw3 s VAL 190 N -2.84 0.90 -0.18 1.32 1.01 -0.37 -1.08 120.40 119.18 1cw3 s VAL 190 Ca 0.15 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1cw3 s VAL 190 Cb -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1cw3 s VAL 190 CO 0.03 -0.48 0.08 -0.32 0.00 0.00 0.00 175.10 174.41 1cw3 s MET 191 N 1.63 3.94 -0.40 2.72 1.75 0.74 -1.06 119.30 128.62 1cw3 s MET 191 Ca 0.05 -0.30 -0.06 0.00 -1.25 0.00 0.00 55.69 54.13 1cw3 s MET 191 Cb -0.17 -3.24 0.09 0.00 2.84 0.00 0.00 34.83 34.34 1cw3 s MET 191 CO -0.18 0.35 0.21 0.21 -0.65 0.00 0.00 175.02 174.96 1cw3 s LYS 192 N 0.18 2.39 0.47 4.11 2.36 0.12 -0.50 119.74 128.86 1cw3 s LYS 192 Ca 0.06 -1.56 -0.15 0.00 -2.55 0.00 0.00 55.97 51.76 1cw3 s LYS 192 Cb -0.12 -3.65 -0.08 0.00 -1.05 0.00 0.00 37.83 32.93 1cw3 s LYS 192 CO -0.00 -0.96 0.92 0.14 1.55 0.00 0.00 175.35 177.00 1cw3 s VAL 193 N 1.31 4.59 0.18 4.02 -7.23 -1.25 -1.97 120.40 120.04 1cw3 s VAL 193 Ca 0.04 1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 60.98 1cw3 s VAL 193 Cb -0.23 -3.71 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 1cw3 s VAL 193 CO -0.00 -0.59 1.55 0.00 -0.31 0.00 0.00 175.10 175.75 1cw3 s ALA 194 N -2.49 3.76 0.59 1.32 0.00 -1.13 -4.29 121.76 119.52 1cw3 s ALA 194 Ca 0.57 1.37 0.29 0.00 0.00 0.00 0.00 51.96 54.19 1cw3 s ALA 194 Cb -0.10 -3.62 1.64 0.00 0.00 0.00 0.00 23.12 21.04 1cw3 s ALA 194 CO 0.29 -0.78 2.07 1.05 0.00 0.00 0.00 175.76 178.39 1cw3 h GLU 195 N 6.55 0.00 0.00 0.00 9.09 -1.91 -1.13 114.58 127.18 1cw3 h GLU 195 Ca -0.43 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.86 1cw3 h GLU 195 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1cw3 h GLU 195 CO 0.90 0.00 -0.58 1.96 0.05 0.00 0.00 179.01 181.34 1cw3 h GLN 196 N 0.00 0.00 -1.94 1.06 7.50 -1.92 -3.39 115.11 116.42 1cw3 h GLN 196 Ca 0.10 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.73 1cw3 h GLN 196 Cb 0.59 0.00 -0.36 0.00 0.05 0.00 0.00 27.48 27.77 1cw3 h GLN 196 CO -0.00 0.58 -0.98 0.25 -1.50 0.00 0.00 178.83 177.17 1cw3 n THR 197 N -3.42 -0.81 0.01 -0.54 -2.24 -0.44 -4.71 114.28 102.12 1cw3 n THR 197 Ca 0.00 -3.44 0.09 0.00 -2.27 0.00 0.00 64.05 58.43 1cw3 n THR 197 Cb 0.69 -1.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.35 1cw3 n THR 197 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cw3 n PRO 198 N 2.05 0.65 0.12 -0.78 -0.04 -1.11 -4.41 135.00 131.49 1cw3 n PRO 198 Ca 0.23 -0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1cw3 n PRO 198 Cb 0.52 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.12 -0.66 1.53 3.38 -1.90 -2.79 115.31 113.74 1cw3 h LEU 199 Ca -0.05 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1cw3 h LEU 199 Cb 1.13 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 1cw3 h LEU 199 CO 0.00 -0.47 0.42 0.71 0.09 0.00 0.00 178.44 179.19 1cw3 h THR 200 N -0.63 1.11 -0.25 0.22 1.35 -1.88 -2.28 112.91 110.55 1cw3 h THR 200 Ca 0.02 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1cw3 h THR 200 Cb 0.65 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1cw3 h THR 200 CO -0.21 0.15 0.02 0.00 -0.25 0.00 0.00 175.52 175.23 1cw3 h ALA 201 N 1.27 1.57 -0.12 6.62 0.00 -1.85 -1.03 119.26 125.72 1cw3 h ALA 201 Ca 0.26 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1cw3 h ALA 201 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cw3 h ALA 201 CO -0.09 0.32 -0.61 -0.07 0.00 0.00 0.00 179.25 178.81 1cw3 h LEU 202 N 0.36 0.47 -0.37 0.00 3.38 -1.19 -2.56 115.31 115.39 1cw3 h LEU 202 Ca 0.08 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1cw3 h LEU 202 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cw3 h LEU 202 CO 0.00 0.96 -0.12 0.22 0.09 0.00 0.00 178.44 179.59 1cw3 h TYR 203 N 0.31 0.84 -0.43 1.13 3.20 -0.79 -2.48 116.97 118.76 1cw3 h TYR 203 Ca -0.01 -0.19 0.07 0.00 3.14 0.00 0.00 58.73 61.75 1cw3 h TYR 203 Cb 1.14 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1cw3 h TYR 203 CO 0.04 0.90 0.29 0.28 -1.64 0.00 0.00 178.16 178.03 1cw3 h VAL 204 N 0.54 0.92 -0.71 1.81 2.07 -1.10 0.47 116.25 120.24 1cw3 h VAL 204 Ca 0.09 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1cw3 h VAL 204 Cb 0.65 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1cw3 h VAL 204 CO 0.04 0.05 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1cw3 h ALA 205 N 1.78 1.22 -0.63 1.67 0.00 -1.03 0.06 119.26 122.33 1cw3 h ALA 205 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cw3 h ALA 205 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1cw3 h ALA 205 CO -0.04 0.59 0.40 -0.97 0.00 0.00 0.00 179.25 179.22 1cw3 h ASN 206 N 1.01 0.74 -0.29 0.00 -1.24 -0.79 -2.27 115.58 112.74 1cw3 h ASN 206 Ca 0.24 -0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.14 1cw3 h ASN 206 Cb 0.15 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1cw3 h ASN 206 CO -0.03 0.56 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.55 1cw3 h LEU 207 N 0.85 0.64 -0.70 0.34 3.38 -0.87 -2.21 115.31 116.75 1cw3 h LEU 207 Ca 0.23 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cw3 h LEU 207 Cb -0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1cw3 h LEU 207 CO -0.05 0.75 0.46 0.40 0.09 0.00 0.00 178.44 180.09 1cw3 h ILE 208 N 0.62 1.15 -0.48 1.22 2.04 -0.47 0.31 117.51 121.91 1cw3 h ILE 208 Ca 0.12 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1cw3 h ILE 208 Cb 0.47 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1cw3 h ILE 208 CO 0.02 0.17 0.17 0.50 0.00 0.00 0.00 178.15 179.01 1cw3 h LYS 209 N 0.92 0.73 0.00 2.37 3.64 -1.14 -2.48 116.57 120.60 1cw3 h LYS 209 Ca 0.26 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1cw3 h LYS 209 Cb -0.07 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1cw3 h LYS 209 CO -0.07 0.67 -0.32 1.49 -2.27 0.00 0.00 179.45 178.95 1cw3 h GLU 210 N 0.63 0.00 0.00 1.90 4.81 -0.83 -2.29 114.58 118.80 1cw3 h GLU 210 Ca 0.16 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1cw3 h GLU 210 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1cw3 h GLU 210 CO -0.01 0.32 -0.19 0.00 -0.73 0.00 0.00 179.01 178.41 1cw3 h ALA 211 N 1.68 1.10 0.00 2.92 0.00 0.04 -3.47 119.26 121.53 1cw3 h ALA 211 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cw3 h ALA 211 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1cw3 h ALA 211 CO 0.04 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1cw3 n GLY 212 N -0.14 1.16 3.76 0.00 0.00 -0.86 -4.87 105.19 104.24 1cw3 n GLY 212 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cw3 n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 213 N -2.00 3.14 0.52 1.61 0.40 -1.10 -4.97 117.98 115.58 1cw3 s PHE 213 Ca 0.00 1.35 -0.22 0.00 -0.60 0.00 0.00 56.93 57.46 1cw3 s PHE 213 Cb 0.00 -3.65 -0.05 0.00 0.51 0.00 0.00 43.02 39.83 1cw3 s PHE 213 CO 0.00 -1.85 1.30 -2.14 0.70 0.00 0.00 175.22 173.23 1cw3 s PRO 214 N -1.22 3.30 0.27 0.24 0.02 -1.26 -4.78 135.00 131.57 1cw3 s PRO 214 Ca 0.51 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 1cw3 s PRO 214 Cb -0.39 -2.28 -0.13 0.00 0.02 0.00 0.00 34.50 31.72 1cw3 s PRO 214 CO 0.47 -1.01 1.28 -2.30 -0.33 0.00 0.00 177.00 175.11 1cw3 n PRO 215 N -0.90 1.84 0.00 5.54 -0.02 -1.26 -2.18 135.00 138.02 1cw3 n PRO 215 Ca 0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1cw3 n PRO 215 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1cw3 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cw3 n GLY 216 N 1.63 2.31 0.18 -1.23 0.00 -1.26 -4.71 105.19 102.12 1cw3 n GLY 216 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1cw3 n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cw3 h VAL 217 N 0.00 1.22 -3.20 1.61 2.07 -1.74 -3.30 116.25 112.91 1cw3 h VAL 217 Ca 0.00 -0.76 -0.56 0.00 0.82 0.00 0.00 66.70 66.20 1cw3 h VAL 217 Cb 0.00 1.06 -0.37 0.00 -1.52 0.00 0.00 31.29 30.46 1cw3 h VAL 217 CO 0.00 0.26 -0.81 -0.69 0.02 0.00 0.00 177.57 176.34 1cw3 s VAL 218 N -5.29 1.27 -0.05 2.57 1.01 -1.26 0.01 120.40 118.65 1cw3 s VAL 218 Ca -0.13 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1cw3 s VAL 218 Cb 0.09 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1cw3 s VAL 218 CO 0.76 0.35 -0.20 0.20 0.00 0.00 0.00 175.10 176.20 1cw3 s ASN 219 N 1.60 2.52 -0.14 3.32 0.01 -0.24 -4.73 114.94 117.29 1cw3 s ASN 219 Ca 0.04 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 1cw3 s ASN 219 Cb -0.13 -0.70 0.01 0.00 0.41 0.00 0.00 41.25 40.84 1cw3 s ASN 219 CO -0.09 0.19 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.85 1cw3 s ILE 220 N -0.04 2.02 -0.36 0.60 1.01 0.12 -0.18 121.20 124.36 1cw3 s ILE 220 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1cw3 s ILE 220 Cb -0.12 -1.79 0.10 0.00 0.01 0.00 0.00 42.46 40.66 1cw3 s ILE 220 CO 0.03 0.54 0.10 -0.69 0.00 0.00 0.00 174.94 174.92 1cw3 s VAL 221 N 0.84 2.80 0.32 2.92 1.01 0.34 -0.82 120.40 127.82 1cw3 s VAL 221 Ca -0.07 -2.05 -0.27 0.00 0.00 0.00 0.00 61.98 59.59 1cw3 s VAL 221 Cb -0.15 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1cw3 s VAL 221 CO -0.02 -0.54 0.98 -2.16 0.00 0.00 0.00 175.10 173.36 1cw3 s PRO 222 N 1.06 4.55 0.00 2.72 0.04 -1.26 -3.87 135.00 138.23 1cw3 s PRO 222 Ca 0.07 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1cw3 s PRO 222 Cb -0.21 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1cw3 s PRO 222 CO -0.05 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1cw3 n GLY 223 N 0.72 -1.08 3.93 0.56 0.00 -1.26 -0.02 105.19 108.04 1cw3 n GLY 223 Ca 0.02 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 3.25 -0.01 1.61 0.40 -1.26 -3.81 117.98 115.16 1cw3 s PHE 224 Ca 0.00 0.54 -0.22 0.00 -0.60 0.00 0.00 56.93 56.65 1cw3 s PHE 224 Cb 0.00 -2.62 -0.12 0.00 0.51 0.00 0.00 43.02 40.79 1cw3 s PHE 224 CO 0.00 -0.69 0.91 0.78 0.70 0.00 0.00 175.22 176.91 1cw3 h GLY 225 N -0.02 -0.74 1.60 4.36 0.00 -1.96 -1.53 103.07 104.79 1cw3 h GLY 225 Ca -0.46 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1cw3 h GLY 225 CO 0.60 -0.27 0.18 -2.55 0.00 0.00 0.00 176.54 174.50 1cw3 h PRO 226 N -1.15 0.00 0.00 4.80 0.11 -1.96 0.18 132.00 133.98 1cw3 h PRO 226 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1cw3 h PRO 226 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1cw3 h PRO 226 CO 0.12 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.16 1cw3 n THR 227 N -3.26 0.00 -0.03 -1.15 -2.24 -1.23 -4.24 114.28 102.12 1cw3 n THR 227 Ca -0.01 0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1cw3 n THR 227 Cb 0.26 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.10 0.37 6.98 0.00 -1.39 -2.77 119.26 120.56 1cw3 h ALA 228 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cw3 h ALA 228 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1cw3 h ALA 228 CO 0.00 -0.14 -0.38 0.78 0.00 0.00 0.00 179.25 179.51 1cw3 h GLY 229 N -0.23 -0.89 2.00 0.00 0.00 -0.93 -2.22 103.07 100.80 1cw3 h GLY 229 Ca 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1cw3 h GLY 229 CO 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 176.54 176.21 1cw3 h ALA 230 N -0.35 1.84 -0.72 3.60 0.00 -1.13 -1.57 119.26 120.93 1cw3 h ALA 230 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1cw3 h ALA 230 Cb 0.70 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1cw3 h ALA 230 CO -0.07 0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.41 1cw3 h ALA 231 N 1.97 0.94 0.32 0.00 0.00 -1.14 -1.39 119.26 119.96 1cw3 h ALA 231 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1cw3 h ALA 231 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1cw3 h ALA 231 CO 0.00 0.66 -0.15 0.82 0.00 0.00 0.00 179.25 180.58 1cw3 h ILE 232 N 1.08 0.63 0.00 0.00 2.04 -0.73 -2.07 117.51 118.46 1cw3 h ILE 232 Ca 0.23 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1cw3 h ILE 232 Cb 0.36 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1cw3 h ILE 232 CO 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 178.15 178.27 1cw3 h ALA 233 N -0.35 1.01 -0.03 1.87 0.00 -1.33 -2.22 119.26 118.20 1cw3 h ALA 233 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cw3 h ALA 233 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cw3 h ALA 233 CO 0.07 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1cw3 n SER 234 N -3.10 2.30 -4.73 0.00 7.64 -0.53 -3.66 113.62 111.54 1cw3 n SER 234 Ca -0.03 -1.64 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1cw3 n SER 234 Cb 0.10 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1cw3 n SER 234 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1cw3 s HIS 235 N -1.26 3.07 -1.36 1.43 5.04 -0.78 -4.77 115.29 116.65 1cw3 s HIS 235 Ca 0.18 0.78 0.16 0.00 -1.54 0.00 0.00 55.06 54.64 1cw3 s HIS 235 Cb 0.13 -3.87 0.81 0.00 0.04 0.00 0.00 32.58 29.69 1cw3 s HIS 235 CO 0.19 -3.09 1.48 0.39 -2.34 0.00 0.00 174.74 171.37 1cw3 n GLU 236 N 3.49 0.20 -0.05 2.88 -0.58 -1.26 -3.10 120.64 122.23 1cw3 n GLU 236 Ca 0.12 0.14 0.04 0.00 -0.42 0.00 0.00 57.16 57.04 1cw3 n GLU 236 Cb 0.39 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.82 1cw3 n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cw3 n ASP 237 N -1.32 2.03 -4.51 1.62 2.03 -1.26 -4.86 116.55 110.27 1cw3 n ASP 237 Ca 0.07 -2.44 -0.39 0.00 0.52 0.00 0.00 54.79 52.55 1cw3 n ASP 237 Cb 0.14 -0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.76 5.07 0.18 5.18 1.01 -1.18 -4.76 120.40 124.15 1cw3 s VAL 238 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1cw3 s VAL 238 Cb 0.12 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 1cw3 s VAL 238 CO 0.01 0.06 1.41 0.44 0.00 0.00 0.00 175.10 177.03 1cw3 h ASP 239 N 8.43 0.18 -5.03 3.32 3.32 -1.60 -3.42 116.42 121.62 1cw3 h ASP 239 Ca -0.32 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 1cw3 h ASP 239 Cb 1.16 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1cw3 h ASP 239 CO 0.61 0.94 -0.48 -0.75 -1.72 0.00 0.00 179.24 177.84 1cw3 s LYS 240 N -3.24 0.55 -0.03 3.56 2.36 -0.99 -1.35 119.74 120.61 1cw3 s LYS 240 Ca -0.02 -0.54 0.01 0.00 -2.55 0.00 0.00 55.97 52.87 1cw3 s LYS 240 Cb 0.11 0.23 0.02 0.00 -1.05 0.00 0.00 37.83 37.13 1cw3 s LYS 240 CO 0.82 -0.14 -0.02 0.54 1.55 0.00 0.00 175.35 178.10 1cw3 s VAL 241 N -1.94 0.28 -0.16 4.02 0.11 0.35 -0.38 120.40 122.68 1cw3 s VAL 241 Ca -0.10 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1cw3 s VAL 241 Cb -0.05 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1cw3 s VAL 241 CO -0.01 0.15 -0.19 0.00 -3.33 0.00 0.00 175.10 171.72 1cw3 s ALA 242 N 0.75 2.16 -0.00 1.54 0.00 0.07 -2.48 121.76 123.79 1cw3 s ALA 242 Ca -0.08 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.88 1cw3 s ALA 242 Cb -0.11 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1cw3 s ALA 242 CO -0.01 -0.23 -0.23 0.12 0.00 0.00 0.00 175.76 175.41 1cw3 s PHE 243 N 1.15 2.06 -0.08 0.00 5.36 -0.87 -1.61 117.98 123.98 1cw3 s PHE 243 Ca 0.00 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.58 1cw3 s PHE 243 Cb -0.14 -1.30 0.03 0.00 -0.34 0.00 0.00 43.02 41.27 1cw3 s PHE 243 CO -0.08 -0.00 -0.02 0.99 -1.46 0.00 0.00 175.22 174.64 1cw3 s THR 244 N -0.60 0.57 -2.61 0.12 2.01 -0.86 -0.75 115.64 113.52 1cw3 s THR 244 Ca 0.09 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1cw3 s THR 244 Cb -0.09 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1cw3 s THR 244 CO -0.00 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1cw3 n GLY 245 N 4.99 -0.59 3.76 4.40 0.00 -0.60 -3.33 105.19 113.82 1cw3 n GLY 245 Ca -0.10 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1cw3 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 246 N -4.00 5.58 0.34 1.61 1.04 -1.26 -3.24 113.70 113.77 1cw3 s SER 246 Ca 0.00 2.60 0.04 0.00 0.48 0.00 0.00 55.95 59.07 1cw3 s SER 246 Cb 0.00 -2.62 0.68 0.00 0.10 0.00 0.00 66.02 64.17 1cw3 s SER 246 CO 0.00 -1.35 1.94 0.74 0.98 0.00 0.00 173.24 175.56 1cw3 h THR 247 N 1.58 1.03 0.32 2.02 2.02 -1.92 -1.25 112.91 116.70 1cw3 h THR 247 Ca -0.50 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1cw3 h THR 247 Cb 1.28 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1cw3 h THR 247 CO 0.58 0.15 -0.37 -0.08 0.37 0.00 0.00 175.52 176.17 1cw3 h GLU 248 N 0.84 -0.71 0.00 6.66 4.81 -1.95 -1.70 114.58 122.53 1cw3 h GLU 248 Ca 0.34 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1cw3 h GLU 248 Cb 0.25 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1cw3 h GLU 248 CO -0.12 -0.47 -0.09 0.82 -0.73 0.00 0.00 179.01 178.42 1cw3 h ILE 249 N -0.73 0.26 -0.87 2.32 1.08 -1.85 -2.70 117.51 115.02 1cw3 h ILE 249 Ca -0.02 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1cw3 h ILE 249 Cb 0.68 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 1cw3 h ILE 249 CO -0.10 0.09 0.52 1.23 -0.69 0.00 0.00 178.15 179.20 1cw3 h GLY 250 N 1.79 1.28 1.18 5.37 0.00 -0.33 -0.02 103.07 112.33 1cw3 h GLY 250 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1cw3 h GLY 250 CO 0.01 0.52 -0.01 3.21 0.00 0.00 0.00 176.54 180.27 1cw3 h ARG 251 N 1.21 0.99 -0.73 4.80 3.08 -1.10 -1.65 114.38 120.97 1cw3 h ARG 251 Ca 0.31 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1cw3 h ARG 251 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1cw3 h ARG 251 CO -0.06 0.98 0.36 0.28 -1.07 0.00 0.00 179.97 180.46 1cw3 h VAL 252 N 0.90 1.24 0.04 2.04 2.07 -1.27 -1.57 116.25 119.71 1cw3 h VAL 252 Ca 0.16 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1cw3 h VAL 252 Cb 0.54 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1cw3 h VAL 252 CO 0.03 0.27 -0.02 0.40 0.02 0.00 0.00 177.57 178.27 1cw3 h ILE 253 N 1.02 0.98 -0.53 4.57 1.08 -0.64 -0.46 117.51 123.53 1cw3 h ILE 253 Ca 0.25 -0.07 -0.07 0.00 -0.39 0.00 0.00 64.86 64.59 1cw3 h ILE 253 Cb 0.10 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1cw3 h ILE 253 CO -0.03 0.02 0.06 -0.61 -0.69 0.00 0.00 178.15 176.90 1cw3 h GLN 254 N -0.09 0.84 -0.02 2.37 4.15 -1.20 -1.80 115.11 119.35 1cw3 h GLN 254 Ca -0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1cw3 h GLN 254 Cb 0.08 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1cw3 h GLN 254 CO 0.01 0.81 0.01 0.28 -1.93 0.00 0.00 178.83 178.01 1cw3 h VAL 255 N 0.80 1.11 -0.56 2.39 2.07 -1.13 -1.96 116.25 118.98 1cw3 h VAL 255 Ca 0.16 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1cw3 h VAL 255 Cb 0.39 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1cw3 h VAL 255 CO 0.01 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.06 1cw3 h ALA 256 N 0.88 1.73 -0.20 1.67 0.00 -0.84 -0.66 119.26 121.85 1cw3 h ALA 256 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 256 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cw3 h ALA 256 CO -0.00 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1cw3 h ALA 257 N 1.68 0.27 -0.13 0.00 0.00 -1.05 -1.96 119.26 118.07 1cw3 h ALA 257 Ca 0.23 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 257 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cw3 h ALA 257 CO -0.06 0.02 -0.32 0.78 0.00 0.00 0.00 179.25 179.67 1cw3 h GLY 258 N 0.10 0.27 2.00 0.00 0.00 -0.76 -1.48 103.07 103.19 1cw3 h GLY 258 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1cw3 h GLY 258 CO 0.02 0.21 0.00 1.76 0.00 0.00 0.00 176.54 178.52 1cw3 h SER 259 N 0.22 0.00 0.00 0.19 0.02 -1.09 -3.42 113.55 109.47 1cw3 h SER 259 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cw3 h SER 259 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1cw3 h SER 259 CO 0.05 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.20 1cw3 n SER 260 N -3.03 0.00 -1.53 3.07 3.41 -0.74 -4.96 113.62 109.84 1cw3 n SER 260 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1cw3 n SER 260 Cb 0.50 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.80 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 4.84 -2.48 4.04 6.94 -1.24 -4.95 115.26 122.40 1cw3 n ASN 261 Ca 0.00 -2.65 -0.20 0.00 -0.02 0.00 0.00 54.58 51.71 1cw3 n ASN 261 Cb 0.00 -0.59 0.01 0.00 -2.36 0.00 0.00 39.78 36.84 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 0.71 -2.18 -4.68 -4.53 4.77 -0.58 -4.96 117.00 105.55 1cw3 n LEU 262 Ca 0.25 -0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1cw3 n LEU 262 Cb 0.96 -2.82 0.05 0.00 -2.33 0.00 0.00 43.42 39.27 1cw3 n LEU 262 CO 0.24 -0.04 0.76 2.29 -1.33 0.00 0.00 177.39 179.31 1cw3 n LYS 263 N -3.26 1.26 -2.18 3.23 2.85 -1.25 -4.94 118.16 113.87 1cw3 n LYS 263 Ca -0.19 0.47 -0.41 0.00 -1.05 0.00 0.00 58.31 57.14 1cw3 n LYS 263 Cb 0.65 -2.36 -0.02 0.00 -0.65 0.00 0.00 35.03 32.65 1cw3 n LYS 263 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1cw3 s ARG 264 N -2.83 4.40 -0.04 -1.58 3.00 -0.45 -4.82 118.95 116.63 1cw3 s ARG 264 Ca 0.74 2.15 0.02 0.00 0.00 0.00 0.00 55.73 58.64 1cw3 s ARG 264 Cb -0.43 -3.09 0.01 0.00 0.00 0.00 0.00 34.95 31.44 1cw3 s ARG 264 CO 0.48 -0.13 -0.10 0.08 0.00 0.00 0.00 175.30 175.63 1cw3 s VAL 265 N -1.08 0.88 -0.02 3.52 1.01 -1.26 -0.50 120.40 122.95 1cw3 s VAL 265 Ca 0.49 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1cw3 s VAL 265 Cb -0.38 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1cw3 s VAL 265 CO 0.50 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 176.14 1cw3 s THR 266 N 0.43 1.31 -0.06 3.92 -4.23 -1.04 -4.92 115.64 111.05 1cw3 s THR 266 Ca -0.08 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1cw3 s THR 266 Cb -0.12 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.64 1cw3 s THR 266 CO 0.01 0.37 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.59 1cw3 s LEU 267 N -0.35 1.66 -0.52 4.79 1.43 -0.44 -2.05 118.68 123.20 1cw3 s LEU 267 Ca 0.05 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1cw3 s LEU 267 Cb -0.07 -0.80 0.13 0.00 0.03 0.00 0.00 46.19 45.49 1cw3 s LEU 267 CO -0.00 0.04 0.27 -1.61 0.23 0.00 0.00 176.35 175.28 1cw3 s GLU 268 N 0.60 2.06 0.00 1.70 0.41 0.07 -0.36 118.70 123.18 1cw3 s GLU 268 Ca -0.13 -2.45 0.00 0.00 -0.41 0.00 0.00 54.97 51.98 1cw3 s GLU 268 Cb -0.15 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 1cw3 s GLU 268 CO 0.03 -1.10 0.00 1.28 -0.49 0.00 0.00 175.26 174.98 1cw3 n LEU 269 N 3.45 0.00 0.00 1.80 4.77 0.52 -1.56 117.00 125.97 1cw3 n LEU 269 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1cw3 n LEU 269 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1cw3 n LEU 269 CO 0.32 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1cw3 n GLY 270 N 5.00 -0.50 3.91 -0.72 0.00 -1.20 -4.82 105.19 106.86 1cw3 n GLY 270 Ca 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 1cw3 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cw3 s GLY 271 N -2.30 0.12 -0.39 -0.02 0.00 -1.21 -4.37 107.32 99.15 1cw3 s GLY 271 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 44.72 44.48 1cw3 s GLY 271 CO 0.00 3.13 0.89 1.17 0.00 0.00 0.00 173.10 178.29 1cw3 n LYS 272 N -0.75 1.01 -1.70 2.90 3.00 -1.26 -4.49 118.16 116.87 1cw3 n LYS 272 Ca -0.02 -2.89 -0.42 0.00 -0.00 0.00 0.00 58.31 54.98 1cw3 n LYS 272 Cb 0.59 -1.40 -0.03 0.00 0.00 0.00 0.00 35.03 34.19 1cw3 n LYS 272 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1cw3 n SER 273 N 0.23 4.01 -4.75 3.14 7.64 -1.22 -4.66 113.62 118.01 1cw3 n SER 273 Ca 0.17 1.02 -0.39 0.00 1.01 0.00 0.00 58.87 60.67 1cw3 n SER 273 Cb 0.69 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 1cw3 n SER 273 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1cw3 s PRO 274 N 2.12 4.43 -0.33 1.43 0.04 -1.26 -1.89 135.00 139.54 1cw3 s PRO 274 Ca 0.79 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1cw3 s PRO 274 Cb -0.50 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 30.74 1cw3 s PRO 274 CO 0.35 0.28 0.07 1.21 0.04 0.00 0.00 177.00 178.96 1cw3 s ASN 275 N 0.01 5.09 -0.23 6.66 3.04 -0.49 -1.51 114.94 127.51 1cw3 s ASN 275 Ca 0.36 -1.40 -0.15 0.00 0.04 0.00 0.00 52.86 51.71 1cw3 s ASN 275 Cb -0.19 -1.78 -0.04 0.00 -1.54 0.00 0.00 41.25 37.70 1cw3 s ASN 275 CO 0.20 -0.34 0.39 -0.63 -3.04 0.00 0.00 177.10 173.68 1cw3 s ILE 276 N 1.27 5.19 -0.37 -5.21 1.01 0.17 -0.82 121.20 122.44 1cw3 s ILE 276 Ca -0.01 0.65 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 1cw3 s ILE 276 Cb -0.20 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.63 1cw3 s ILE 276 CO -0.01 0.22 0.15 -0.63 0.00 0.00 0.00 174.94 174.67 1cw3 s ILE 277 N 1.58 3.58 0.45 2.92 -1.09 0.61 -0.34 121.20 128.91 1cw3 s ILE 277 Ca 0.17 -1.53 -0.20 0.00 -2.23 0.00 0.00 60.65 56.86 1cw3 s ILE 277 Cb -0.15 -3.20 -0.10 0.00 -1.58 0.00 0.00 42.46 37.43 1cw3 s ILE 277 CO 0.08 -0.40 0.96 -0.04 -1.23 0.00 0.00 174.94 174.31 1cw3 s MET 278 N 1.30 4.15 0.59 2.79 -1.94 -0.25 -1.99 119.30 123.95 1cw3 s MET 278 Ca 0.02 1.08 0.35 0.00 -1.71 0.00 0.00 55.69 55.43 1cw3 s MET 278 Cb -0.21 -2.17 1.89 0.00 2.01 0.00 0.00 34.83 36.35 1cw3 s MET 278 CO -0.00 -0.10 2.06 0.66 -0.01 0.00 0.00 175.02 177.63 1cw3 h SER 279 N 1.66 0.00 -0.58 3.03 4.64 -1.89 -0.56 113.55 119.84 1cw3 h SER 279 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1cw3 h SER 279 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1cw3 h SER 279 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1cw3 n ASP 280 N -2.82 4.42 -4.84 4.97 5.75 -1.26 -4.94 116.55 117.83 1cw3 n ASP 280 Ca -0.02 -2.43 -0.32 0.00 -0.01 0.00 0.00 54.79 52.01 1cw3 n ASP 280 Cb 0.17 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 1cw3 n ASP 280 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cw3 s ALA 281 N -1.87 2.96 -0.55 2.12 0.00 -0.22 -3.66 121.76 120.53 1cw3 s ALA 281 Ca 0.46 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1cw3 s ALA 281 Cb 0.30 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1cw3 s ALA 281 CO 0.22 -0.57 1.50 0.34 0.00 0.00 0.00 175.76 177.25 1cw3 s ASP 282 N -3.33 6.00 0.17 0.00 2.15 -1.26 -4.90 116.67 115.50 1cw3 s ASP 282 Ca 0.59 0.38 -0.25 0.00 0.43 0.00 0.00 52.55 53.69 1cw3 s ASP 282 Cb -0.12 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1cw3 s ASP 282 CO 0.40 -1.79 1.56 -0.03 -0.17 0.00 0.00 175.17 175.14 1cw3 h MET 283 N 11.71 -0.19 -0.66 4.34 1.85 -1.95 -0.43 114.93 129.60 1cw3 h MET 283 Ca -0.27 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.90 1cw3 h MET 283 Cb 1.11 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.12 1cw3 h MET 283 CO 1.17 -0.12 0.34 -0.44 -0.40 0.00 0.00 176.91 177.45 1cw3 h ASP 284 N -0.19 0.47 -0.13 1.39 3.32 -2.00 -0.41 116.42 118.87 1cw3 h ASP 284 Ca 0.19 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1cw3 h ASP 284 Cb 0.56 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1cw3 h ASP 284 CO -0.73 0.29 -0.05 -0.25 -1.72 0.00 0.00 179.24 176.78 1cw3 h TRP 285 N 0.61 0.30 -0.69 4.55 -0.00 -1.83 -2.32 115.95 116.57 1cw3 h TRP 285 Ca 0.31 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 59.16 1cw3 h TRP 285 Cb 0.26 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.30 1cw3 h TRP 285 CO -0.10 0.59 0.42 0.00 -0.00 0.00 0.00 178.44 179.34 1cw3 h ALA 286 N 0.67 0.91 -0.15 2.65 0.00 -0.82 0.17 119.26 122.68 1cw3 h ALA 286 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cw3 h ALA 286 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cw3 h ALA 286 CO 0.02 0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.77 1cw3 h VAL 287 N 0.80 1.15 -0.37 0.00 2.07 -1.05 0.19 116.25 119.03 1cw3 h VAL 287 Ca 0.29 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1cw3 h VAL 287 Cb 0.07 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1cw3 h VAL 287 CO -0.13 0.14 -0.07 -0.08 0.02 0.00 0.00 177.57 177.45 1cw3 h GLU 288 N 0.09 0.70 -0.51 1.57 4.57 -1.13 -1.79 114.58 118.09 1cw3 h GLU 288 Ca 0.05 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 1cw3 h GLU 288 Cb 0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1cw3 h GLU 288 CO -0.00 0.84 -0.13 1.96 -1.18 0.00 0.00 179.01 180.50 1cw3 h GLN 289 N 0.51 0.99 -0.66 1.92 1.08 -0.62 -1.51 115.11 116.82 1cw3 h GLN 289 Ca 0.10 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 1cw3 h GLN 289 Cb 0.57 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1cw3 h GLN 289 CO 0.03 1.06 0.39 0.00 -0.95 0.00 0.00 178.83 179.36 1cw3 h ALA 290 N 0.90 0.84 -0.27 3.87 0.00 -0.58 0.41 119.26 124.43 1cw3 h ALA 290 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 290 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1cw3 h ALA 290 CO 0.05 0.32 0.12 1.25 0.00 0.00 0.00 179.25 181.00 1cw3 h HIS 291 N 0.89 0.22 -0.62 0.00 -0.00 -1.09 -2.37 115.15 112.19 1cw3 h HIS 291 Ca 0.23 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.53 1cw3 h HIS 291 Cb -0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1cw3 h HIS 291 CO -0.01 0.11 0.04 0.35 -0.00 0.00 0.00 177.93 178.42 1cw3 h PHE 292 N 0.26 1.14 -0.40 5.26 3.04 -0.77 -1.21 116.94 124.27 1cw3 h PHE 292 Ca 0.12 -0.18 0.09 0.00 3.98 0.00 0.00 57.97 61.98 1cw3 h PHE 292 Cb 0.06 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 1cw3 h PHE 292 CO -0.11 0.99 0.28 0.00 -2.02 0.00 0.00 178.31 177.45 1cw3 h ALA 293 N 1.05 2.19 0.00 2.41 0.00 0.30 -2.06 119.26 123.15 1cw3 h ALA 293 Ca 0.18 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.64 1cw3 h ALA 293 Cb 0.51 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1cw3 h ALA 293 CO 0.02 -0.29 -2.45 -0.11 0.00 0.00 0.00 179.25 176.43 1cw3 n LEU 294 N -4.45 1.90 0.07 0.00 0.00 -0.97 -0.89 117.00 112.65 1cw3 n LEU 294 Ca 0.06 0.33 0.12 0.00 0.00 0.00 0.00 56.01 56.51 1cw3 n LEU 294 Cb 0.37 -0.79 0.45 0.00 0.00 0.00 0.00 43.42 43.46 1cw3 n LEU 294 CO 0.35 0.53 0.86 0.49 0.00 0.00 0.00 177.39 179.62 1cw3 n PHE 295 N -4.22 0.51 -1.64 1.96 3.01 -0.47 -3.84 117.46 112.78 1cw3 n PHE 295 Ca -0.52 0.18 -0.48 0.00 1.01 0.00 0.00 57.45 57.64 1cw3 n PHE 295 Cb 0.86 -0.78 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.94 1.99 -3.57 1.38 -0.00 -0.78 -2.09 117.46 112.45 1cw3 n PHE 296 Ca 0.04 0.41 -0.20 0.00 -0.00 0.00 0.00 57.45 57.70 1cw3 n PHE 296 Cb 0.29 -2.46 0.07 0.00 -0.00 0.00 0.00 39.48 37.38 1cw3 n PHE 296 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1cw3 n ASN 297 N 2.98 -2.81 -2.30 -2.13 5.15 -1.26 -1.81 115.26 113.08 1cw3 n ASN 297 Ca 0.17 -0.67 -0.18 0.00 -0.60 0.00 0.00 54.58 53.30 1cw3 n ASN 297 Cb 0.26 -4.73 -0.02 0.00 -0.53 0.00 0.00 39.78 34.76 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 -4.37 -1.82 -0.95 1.20 3.00 -0.89 -0.56 117.38 112.99 1cw3 n GLN 298 Ca -0.21 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1cw3 n GLN 298 Cb 0.64 -5.49 0.00 0.00 0.00 0.00 0.00 30.24 25.39 1cw3 n GLN 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1cw3 n GLY 299 N -0.86 0.40 2.55 1.08 0.00 -0.75 -3.07 105.19 104.53 1cw3 n GLY 299 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1cw3 n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cw3 n GLN 300 N -1.64 4.79 -4.45 1.61 6.02 0.27 -3.08 117.38 120.90 1cw3 n GLN 300 Ca 0.00 -3.85 -0.23 0.00 -0.01 0.00 0.00 57.00 52.91 1cw3 n GLN 300 Cb 0.14 -2.55 -0.16 0.00 1.02 0.00 0.00 30.24 28.69 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 0.29 1.22 -2.00 0.00 0.00 -0.57 -4.76 120.51 114.68 1cw3 n ALA 304 Ca 0.31 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.81 1cw3 n ALA 304 Cb 1.22 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1cw3 n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cw3 n GLY 305 N 3.13 2.45 0.13 0.00 0.00 -0.07 -3.45 105.19 107.38 1cw3 n GLY 305 Ca 0.16 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 45.09 1cw3 n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cw3 n SER 306 N 9.59 0.41 -3.57 1.61 3.41 -0.79 -4.38 113.62 119.90 1cw3 n SER 306 Ca 0.48 -1.30 -0.28 0.00 -0.26 0.00 0.00 58.87 57.51 1cw3 n SER 306 Cb 0.44 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.97 1.19 -0.83 4.33 0.52 -1.06 -3.91 118.95 117.20 1cw3 s ARG 307 Ca 0.38 -2.13 -0.25 0.00 -0.52 0.00 0.00 55.73 53.21 1cw3 s ARG 307 Cb 0.18 -1.96 0.05 0.00 0.52 0.00 0.00 34.95 33.74 1cw3 s ARG 307 CO 0.30 -1.28 1.29 0.99 0.02 0.00 0.00 175.30 176.62 1cw3 s THR 308 N 0.09 3.91 -0.08 0.02 2.01 -0.66 -1.39 115.64 119.54 1cw3 s THR 308 Ca 0.25 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 1cw3 s THR 308 Cb -0.10 -4.93 -0.03 0.00 0.01 0.00 0.00 72.50 67.45 1cw3 s THR 308 CO -0.10 -1.82 0.83 -0.36 -0.69 0.00 0.00 174.62 172.48 1cw3 s PHE 309 N 5.14 3.55 -0.04 4.92 0.40 -0.00 -1.00 117.98 130.96 1cw3 s PHE 309 Ca 0.37 1.39 0.03 0.00 -0.60 0.00 0.00 56.93 58.12 1cw3 s PHE 309 Cb -0.06 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.50 1cw3 s PHE 309 CO 0.05 -0.05 -0.14 0.08 0.70 0.00 0.00 175.22 175.86 1cw3 s VAL 310 N 1.31 1.18 0.27 -0.44 1.01 -0.08 -0.29 120.40 123.37 1cw3 s VAL 310 Ca 0.42 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1cw3 s VAL 310 Cb -0.18 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.05 1cw3 s VAL 310 CO 0.19 0.35 1.54 -1.58 0.00 0.00 0.00 175.10 175.60 1cw3 s GLN 311 N 0.20 4.18 0.48 2.72 -0.44 -0.84 -2.01 119.66 123.95 1cw3 s GLN 311 Ca -0.06 2.47 0.30 0.00 -2.50 0.00 0.00 55.36 55.57 1cw3 s GLN 311 Cb -0.11 -3.06 1.39 0.00 -1.64 0.00 0.00 33.01 29.58 1cw3 s GLN 311 CO 0.02 -0.55 1.76 1.05 0.50 0.00 0.00 175.29 178.07 1cw3 h GLU 312 N 5.03 0.14 0.00 1.67 4.11 -1.34 -1.25 114.58 122.94 1cw3 h GLU 312 Ca -0.46 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 1cw3 h GLU 312 Cb 1.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1cw3 h GLU 312 CO 0.80 0.09 -0.21 -0.44 0.07 0.00 0.00 179.01 179.32 1cw3 h ASP 313 N 0.15 0.00 0.00 3.06 3.32 -1.90 -3.08 116.42 117.96 1cw3 h ASP 313 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1cw3 h ASP 313 Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.65 1cw3 h ASP 313 CO -0.16 0.21 -0.00 2.30 -1.72 0.00 0.00 179.24 179.88 1cw3 n ILE 314 N -3.64 1.00 0.24 0.35 -5.35 -0.57 -4.84 119.36 106.55 1cw3 n ILE 314 Ca -0.01 -1.01 -0.13 0.00 -0.27 0.00 0.00 62.75 61.33 1cw3 n ILE 314 Cb 0.34 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.66 1cw3 n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1cw3 h TYR 315 N 0.00 -0.97 -0.33 4.28 5.03 -1.22 -1.55 116.97 122.21 1cw3 h TYR 315 Ca 0.00 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.37 1cw3 h TYR 315 Cb 0.53 0.37 -0.08 0.00 1.55 0.00 0.00 36.73 39.09 1cw3 h TYR 315 CO 0.00 -0.49 -0.45 -0.44 -1.32 0.00 0.00 178.16 175.46 1cw3 h ASP 316 N -0.77 -1.46 -0.69 -2.11 3.32 -1.89 0.12 116.42 112.95 1cw3 h ASP 316 Ca -0.06 0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1cw3 h ASP 316 Cb 0.64 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1cw3 h ASP 316 CO -0.00 -0.39 0.39 -0.08 -1.72 0.00 0.00 179.24 177.44 1cw3 h GLU 317 N -0.39 0.69 -0.45 3.56 4.81 -1.92 0.15 114.58 121.04 1cw3 h GLU 317 Ca 0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1cw3 h GLU 317 Cb 0.60 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1cw3 h GLU 317 CO -0.53 0.46 0.21 0.35 -0.73 0.00 0.00 179.01 178.77 1cw3 h PHE 318 N 0.71 0.65 0.02 0.92 3.57 -0.56 -1.51 116.94 120.76 1cw3 h PHE 318 Ca 0.31 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1cw3 h PHE 318 Cb 0.18 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1cw3 h PHE 318 CO -0.07 0.54 -0.01 0.28 -2.23 0.00 0.00 178.31 176.81 1cw3 h VAL 319 N 0.58 1.02 -0.28 1.41 2.07 -0.18 0.34 116.25 121.22 1cw3 h VAL 319 Ca 0.15 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1cw3 h VAL 319 Cb 0.14 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1cw3 h VAL 319 CO -0.02 0.03 -0.04 -0.08 0.02 0.00 0.00 177.57 177.49 1cw3 h GLU 320 N -0.09 0.04 -0.43 1.57 4.81 -0.86 0.77 114.58 120.39 1cw3 h GLU 320 Ca -0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1cw3 h GLU 320 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1cw3 h GLU 320 CO 0.01 0.03 -0.05 0.00 -0.73 0.00 0.00 179.01 178.26 1cw3 h ARG 321 N 0.04 0.73 -0.33 1.92 3.08 -1.17 -2.12 114.38 116.53 1cw3 h ARG 321 Ca 0.13 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1cw3 h ARG 321 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1cw3 h ARG 321 CO -0.25 0.78 0.02 0.77 -1.07 0.00 0.00 179.97 180.22 1cw3 h SER 322 N 0.68 0.55 -0.76 7.04 0.02 -0.16 -1.48 113.55 119.43 1cw3 h SER 322 Ca 0.13 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1cw3 h SER 322 Cb 0.49 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1cw3 h SER 322 CO 0.03 0.70 0.34 0.58 -1.14 0.00 0.00 176.83 177.34 1cw3 h VAL 323 N 0.38 1.25 -0.51 2.27 2.07 -0.74 -1.17 116.25 119.79 1cw3 h VAL 323 Ca 0.10 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1cw3 h VAL 323 Cb 0.41 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1cw3 h VAL 323 CO 0.01 0.30 0.27 0.00 0.02 0.00 0.00 177.57 178.18 1cw3 h ALA 324 N 1.17 0.66 -0.41 1.67 0.00 -1.24 -0.80 119.26 120.31 1cw3 h ALA 324 Ca 0.26 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1cw3 h ALA 324 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1cw3 h ALA 324 CO -0.03 0.19 -0.11 -0.09 0.00 0.00 0.00 179.25 179.21 1cw3 h ARG 325 N 0.68 0.72 -0.35 0.00 9.65 -0.91 -2.38 114.38 121.79 1cw3 h ARG 325 Ca 0.18 -0.23 -0.17 0.00 -1.10 0.00 0.00 59.98 58.66 1cw3 h ARG 325 Cb 0.07 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1cw3 h ARG 325 CO -0.03 0.81 -0.44 0.00 2.80 0.00 0.00 179.97 183.11 1cw3 h ALA 326 N 1.22 0.52 -0.54 2.80 0.00 -0.93 -2.71 119.26 119.62 1cw3 h ALA 326 Ca 0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1cw3 h ALA 326 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1cw3 h ALA 326 CO 0.04 0.66 0.16 0.87 0.00 0.00 0.00 179.25 180.98 1cw3 h LYS 327 N 0.71 0.82 -0.00 0.00 1.57 -0.98 -2.51 116.57 116.18 1cw3 h LYS 327 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1cw3 h LYS 327 Cb 1.04 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1cw3 h LYS 327 CO 0.10 0.72 -0.06 -1.13 -0.57 0.00 0.00 179.45 178.51 1cw3 n SER 328 N -4.29 0.16 -4.62 0.86 3.41 -0.91 -4.82 113.62 103.40 1cw3 n SER 328 Ca 0.04 -0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.07 1cw3 n SER 328 Cb 0.20 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1cw3 n SER 328 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1cw3 s ARG 329 N -2.65 3.56 -0.27 4.33 3.52 -0.95 -4.92 118.95 121.58 1cw3 s ARG 329 Ca 0.25 1.92 -0.29 0.00 -0.13 0.00 0.00 55.73 57.48 1cw3 s ARG 329 Cb 0.20 -4.20 -0.01 0.00 -1.56 0.00 0.00 34.95 29.38 1cw3 s ARG 329 CO 0.49 -1.60 1.46 0.08 -0.81 0.00 0.00 175.30 174.93 1cw3 s VAL 330 N 6.39 3.91 -0.18 7.11 1.01 -1.26 -4.92 120.40 132.46 1cw3 s VAL 330 Ca 0.86 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.79 1cw3 s VAL 330 Cb -0.30 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1cw3 s VAL 330 CO 0.34 -0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.40 1cw3 s VAL 331 N 4.84 4.63 0.00 2.92 1.01 -1.26 -0.62 120.40 131.92 1cw3 s VAL 331 Ca 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1cw3 s VAL 331 Cb -0.21 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1cw3 s VAL 331 CO 0.26 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1cw3 n GLY 332 N 3.49 0.59 3.65 4.51 0.00 -0.94 -4.98 105.19 111.51 1cw3 n GLY 332 Ca -0.17 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 1cw3 n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cw3 n ASN 333 N -0.00 3.62 0.12 1.61 5.15 -1.26 -4.43 115.26 120.06 1cw3 n ASN 333 Ca 0.00 0.80 0.20 0.00 -0.60 0.00 0.00 54.58 54.97 1cw3 n ASN 333 Cb 0.00 -1.45 0.73 0.00 -0.53 0.00 0.00 39.78 38.53 1cw3 n ASN 333 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cw3 h PRO 334 N 10.81 0.00 -0.00 1.20 0.13 -1.89 0.97 132.00 143.21 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1cw3 h PRO 334 CO 0.95 0.00 -0.10 1.19 -0.23 0.00 0.00 178.00 179.81 1cw3 n PHE 335 N -3.50 0.00 -2.92 1.56 3.01 -1.26 -1.22 117.46 113.13 1cw3 n PHE 335 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.11 1cw3 n PHE 335 Cb 0.64 -0.31 -0.04 0.00 -0.01 0.00 0.00 39.48 39.75 1cw3 n PHE 335 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1cw3 s ASP 336 N -2.73 6.81 0.59 4.37 1.11 0.33 -4.93 116.67 122.23 1cw3 s ASP 336 Ca 0.22 1.01 0.29 0.00 0.18 0.00 0.00 52.55 54.25 1cw3 s ASP 336 Cb 0.19 -2.42 1.49 0.00 1.07 0.00 0.00 42.92 43.25 1cw3 s ASP 336 CO 0.52 -0.48 1.91 0.77 1.18 0.00 0.00 175.17 179.07 1cw3 h SER 337 N 7.66 0.00 0.69 0.27 4.64 -1.86 -0.04 113.55 124.91 1cw3 h SER 337 Ca -0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1cw3 h SER 337 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1cw3 h SER 337 CO 0.86 0.00 -0.50 0.50 -0.87 0.00 0.00 176.83 176.82 1cw3 h LYS 338 N 0.00 0.00 -6.43 4.77 1.63 -1.92 -3.45 116.57 111.17 1cw3 h LYS 338 Ca 0.21 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.48 1cw3 h LYS 338 Cb 1.13 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.79 1cw3 h LYS 338 CO -0.00 0.50 1.14 0.99 -3.45 0.00 0.00 179.45 178.62 1cw3 s THR 339 N -3.66 2.85 -0.18 1.00 2.01 -0.03 -4.79 115.64 112.84 1cw3 s THR 339 Ca -0.01 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.24 1cw3 s THR 339 Cb 0.12 -3.10 -0.22 0.00 0.01 0.00 0.00 72.50 69.31 1cw3 s THR 339 CO 0.73 -0.01 0.11 -0.62 -0.69 0.00 0.00 174.62 174.14 1cw3 n GLU 340 N 6.41 0.68 -4.05 4.92 1.02 0.20 -4.89 120.64 124.94 1cw3 n GLU 340 Ca 0.18 0.12 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 1cw3 n GLU 340 Cb 0.40 -1.59 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.52 1.27 0.00 3.49 0.74 -0.82 -4.82 119.66 117.00 1cw3 s GLN 341 Ca -0.18 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1cw3 s GLN 341 Cb 0.07 -1.31 0.00 0.00 1.10 0.00 0.00 33.01 32.87 1cw3 s GLN 341 CO 0.75 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 1cw3 n GLY 342 N 4.62 0.74 3.94 2.59 0.00 -1.26 -2.22 105.19 113.59 1cw3 n GLY 342 Ca -0.15 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 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 1.58 2.60 0.63 1.61 0.04 -1.25 -4.77 135.00 135.45 1cw3 s PRO 343 Ca 0.00 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 1cw3 s PRO 343 Cb 0.00 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 1cw3 s PRO 343 CO 0.00 -0.86 1.07 -0.65 0.04 0.00 0.00 177.00 176.61 1cw3 s GLN 344 N -4.99 3.09 0.33 4.56 -1.52 0.13 -4.64 119.66 116.61 1cw3 s GLN 344 Ca 0.56 1.24 0.06 0.00 -1.95 0.00 0.00 55.36 55.26 1cw3 s GLN 344 Cb -0.11 -2.00 0.70 0.00 -0.22 0.00 0.00 33.01 31.39 1cw3 s GLN 344 CO 0.43 -1.00 1.86 -0.24 -0.25 0.00 0.00 175.29 176.09 1cw3 h VAL 345 N 0.15 0.89 -3.21 1.09 3.04 -1.90 -3.43 116.25 112.89 1cw3 h VAL 345 Ca -0.46 -0.28 -0.07 0.00 -1.01 0.00 0.00 66.70 64.88 1cw3 h VAL 345 Cb 1.23 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 1cw3 h VAL 345 CO 0.56 0.15 0.19 1.51 -1.01 0.00 0.00 177.57 178.97 1cw3 s ASP 346 N -5.78 0.18 0.13 3.17 1.47 -1.26 -4.42 116.67 110.15 1cw3 s ASP 346 Ca -0.11 -1.22 -0.19 0.00 1.18 0.00 0.00 52.55 52.22 1cw3 s ASP 346 Cb 0.22 0.82 -0.05 0.00 -0.34 0.00 0.00 42.92 43.57 1cw3 s ASP 346 CO 0.80 -1.62 1.76 -0.08 0.68 0.00 0.00 175.17 176.70 1cw3 h GLU 347 N 2.02 0.34 -0.32 2.11 4.81 -1.98 -1.02 114.58 120.53 1cw3 h GLU 347 Ca -0.32 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1cw3 h GLU 347 Cb 1.25 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1cw3 h GLU 347 CO 0.40 0.25 -0.09 1.15 -0.73 0.00 0.00 179.01 179.99 1cw3 h THR 348 N 0.32 0.66 -0.62 0.32 2.02 -1.99 0.91 112.91 114.53 1cw3 h THR 348 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1cw3 h THR 348 Cb -0.01 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1cw3 h THR 348 CO -0.02 0.00 0.14 1.56 0.37 0.00 0.00 175.52 177.57 1cw3 h GLN 349 N -0.01 1.01 0.13 6.66 1.08 -1.96 -1.00 115.11 121.02 1cw3 h GLN 349 Ca 0.16 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1cw3 h GLN 349 Cb 0.25 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1cw3 h GLN 349 CO -0.34 0.92 -0.41 0.35 -0.95 0.00 0.00 178.83 178.41 1cw3 h PHE 350 N 0.92 -1.15 -0.90 2.96 3.57 -0.27 -0.70 116.94 121.38 1cw3 h PHE 350 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1cw3 h PHE 350 Cb 0.38 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1cw3 h PHE 350 CO 0.03 -0.51 0.52 0.87 -2.23 0.00 0.00 178.31 176.99 1cw3 h LYS 351 N -0.65 1.23 -0.75 1.11 1.57 -0.77 -2.35 116.57 115.96 1cw3 h LYS 351 Ca 0.02 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1cw3 h LYS 351 Cb 0.67 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1cw3 h LYS 351 CO -0.23 0.88 0.32 -0.22 -0.57 0.00 0.00 179.45 179.63 1cw3 h LYS 352 N 1.24 1.10 -0.13 3.15 3.64 -0.82 -0.50 116.57 124.26 1cw3 h LYS 352 Ca 0.32 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1cw3 h LYS 352 Cb -0.02 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1cw3 h LYS 352 CO -0.06 0.89 0.00 0.82 -2.27 0.00 0.00 179.45 178.83 1cw3 h ILE 353 N 1.07 1.25 -0.85 2.00 2.04 -0.88 -1.86 117.51 120.28 1cw3 h ILE 353 Ca 0.25 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.38 1cw3 h ILE 353 Cb 0.18 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1cw3 h ILE 353 CO -0.03 0.24 0.55 -0.07 0.00 0.00 0.00 178.15 178.84 1cw3 h LEU 354 N -0.03 0.79 -0.58 1.44 3.38 -1.28 0.26 115.31 119.29 1cw3 h LEU 354 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1cw3 h LEU 354 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1cw3 h LEU 354 CO 0.01 0.49 0.30 1.23 0.09 0.00 0.00 178.44 180.55 1cw3 h GLY 355 N 0.89 0.88 1.25 0.83 0.00 -0.76 -1.19 103.07 104.96 1cw3 h GLY 355 Ca 0.38 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1cw3 h GLY 355 CO -0.15 0.40 -0.07 -0.97 0.00 0.00 0.00 176.54 175.75 1cw3 h TYR 356 N 0.78 0.98 -0.49 5.60 0.99 -0.23 -1.07 116.97 123.53 1cw3 h TYR 356 Ca 0.20 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1cw3 h TYR 356 Cb 0.08 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 37.54 1cw3 h TYR 356 CO -0.01 0.92 0.28 0.82 -0.00 0.00 0.00 178.16 180.18 1cw3 h ILE 357 N 0.81 1.16 -0.87 -2.88 2.04 -0.69 0.14 117.51 117.22 1cw3 h ILE 357 Ca 0.14 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1cw3 h ILE 357 Cb 0.58 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1cw3 h ILE 357 CO 0.04 0.17 0.49 -1.13 0.00 0.00 0.00 178.15 177.72 1cw3 h ASN 358 N 0.65 1.07 -0.50 1.72 -0.73 -0.96 -1.41 115.58 115.43 1cw3 h ASN 358 Ca 0.17 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1cw3 h ASN 358 Cb 0.03 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1cw3 h ASN 358 CO -0.03 0.85 0.18 0.74 -0.37 0.00 0.00 177.43 178.80 1cw3 h THR 359 N 1.21 1.21 -0.14 -3.57 2.02 -0.59 -0.26 112.91 112.79 1cw3 h THR 359 Ca 0.31 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1cw3 h THR 359 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1cw3 h THR 359 CO -0.05 0.27 0.08 1.23 0.37 0.00 0.00 175.52 177.42 1cw3 h GLY 360 N 0.94 0.21 0.90 2.16 0.00 0.29 -1.81 103.07 105.76 1cw3 h GLY 360 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1cw3 h GLY 360 CO -0.01 0.09 0.05 0.50 0.00 0.00 0.00 176.54 177.17 1cw3 h LYS 361 N 0.15 0.16 -0.91 4.80 1.57 -0.98 -2.20 116.57 119.16 1cw3 h LYS 361 Ca 0.05 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1cw3 h LYS 361 Cb 0.05 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1cw3 h LYS 361 CO -0.01 0.24 0.58 1.96 -0.57 0.00 0.00 179.45 181.65 1cw3 h GLN 362 N 0.05 0.72 -0.00 3.15 1.08 -0.94 -1.86 115.11 117.30 1cw3 h GLN 362 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1cw3 h GLN 362 Cb 0.13 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1cw3 h GLN 362 CO -0.00 0.47 -0.06 0.39 -0.95 0.00 0.00 178.83 178.68 1cw3 n GLU 363 N -4.57 0.39 -0.09 1.46 1.02 -0.69 -4.93 120.64 113.23 1cw3 n GLU 363 Ca 0.18 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1cw3 n GLU 363 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1cw3 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw3 n GLY 364 N 1.34 0.95 3.72 0.62 0.00 -0.70 -5.06 105.19 106.05 1cw3 n GLY 364 Ca 0.12 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1cw3 n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cw3 s ALA 365 N -2.00 3.30 -0.59 4.61 0.00 -0.84 -4.96 121.76 121.28 1cw3 s ALA 365 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1cw3 s ALA 365 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1cw3 s ALA 365 CO 0.00 -0.27 1.78 0.21 0.00 0.00 0.00 175.76 177.48 1cw3 s LYS 366 N 0.58 2.79 -0.21 0.00 2.20 -0.99 -4.53 119.74 119.57 1cw3 s LYS 366 Ca 0.53 0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 56.48 1cw3 s LYS 366 Cb -0.26 -4.33 -0.03 0.00 -1.51 0.00 0.00 37.83 31.70 1cw3 s LYS 366 CO 0.30 -2.54 1.67 -1.17 -0.36 0.00 0.00 175.35 173.25 1cw3 s LEU 367 N 8.38 3.88 -0.03 5.43 2.96 -1.26 -0.67 118.68 137.37 1cw3 s LEU 367 Ca 0.65 1.67 0.19 0.00 -0.22 0.00 0.00 54.13 56.42 1cw3 s LEU 367 Cb -0.13 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 1cw3 s LEU 367 CO 0.22 -1.30 0.51 0.18 -1.32 0.00 0.00 176.35 174.64 1cw3 n LEU 368 N 8.64 0.33 -3.62 -0.68 4.77 0.65 -4.97 117.00 122.12 1cw3 n LEU 368 Ca 0.19 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1cw3 n LEU 368 Cb 0.45 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1cw3 n LEU 368 CO 0.65 0.17 0.88 0.00 -1.33 0.00 0.00 177.39 177.76 1cw3 n GLY 370 N -0.33 2.55 0.00 0.00 0.00 -1.24 -2.61 105.19 103.56 1cw3 n GLY 370 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1cw3 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 371 N 0.00 0.70 2.38 -0.02 0.00 -1.26 -4.96 105.19 102.03 1cw3 n GLY 371 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1cw3 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 372 N -1.81 2.01 3.77 -0.02 0.00 -1.26 -4.94 105.19 102.94 1cw3 n GLY 372 Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.58 2.01 -0.62 -0.61 1.01 -1.26 -1.12 121.20 118.03 1cw3 s ILE 373 Ca 0.16 0.01 0.21 0.00 0.00 0.00 0.00 60.65 61.04 1cw3 s ILE 373 Cb -0.02 -3.01 -0.27 0.00 0.01 0.00 0.00 42.46 39.18 1cw3 s ILE 373 CO 0.12 0.00 0.75 0.00 0.00 0.00 0.00 174.94 175.81 1cw3 n ALA 374 N 1.16 3.98 -3.26 9.38 0.00 -0.39 -4.67 120.51 126.71 1cw3 n ALA 374 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 1cw3 n ALA 374 Cb 0.38 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.20 -1.06 -2.04 0.00 0.00 -1.26 -4.99 121.76 109.22 1cw3 s ALA 375 Ca 0.02 0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.58 1cw3 s ALA 375 Cb 0.15 0.18 0.35 0.00 0.00 0.00 0.00 23.12 23.80 1cw3 s ALA 375 CO 0.88 -0.36 1.27 -0.25 0.00 0.00 0.00 175.76 177.30 1cw3 n ASP 376 N 0.88 1.19 -3.77 0.00 8.00 -1.26 -4.73 116.55 116.86 1cw3 n ASP 376 Ca -0.20 -1.91 -0.13 0.00 0.71 0.00 0.00 54.79 53.26 1cw3 n ASP 376 Cb 0.58 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.43 1cw3 n ASP 376 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1cw3 s ARG 377 N -1.73 0.29 0.00 -1.24 3.52 -1.26 -5.11 118.95 113.42 1cw3 s ARG 377 Ca 0.19 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1cw3 s ARG 377 Cb 0.10 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 1cw3 s ARG 377 CO 0.14 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.98 1cw3 n GLY 378 N 3.16 -1.08 2.81 8.12 0.00 -1.24 -4.57 105.19 112.39 1cw3 n GLY 378 Ca -0.15 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.22 2.95 -3.06 1.61 4.02 -0.56 -4.89 117.16 116.00 1cw3 n TYR 379 Ca 0.00 -2.46 -0.40 0.00 -0.01 0.00 0.00 57.90 55.04 1cw3 n TYR 379 Cb 0.00 -1.14 -0.05 0.00 -0.02 0.00 0.00 39.34 38.13 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 -4.13 3.67 -0.01 -0.72 0.40 -1.26 -0.69 117.98 115.23 1cw3 s PHE 380 Ca 0.48 1.32 0.05 0.00 -0.60 0.00 0.00 56.93 58.18 1cw3 s PHE 380 Cb 0.36 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 1cw3 s PHE 380 CO -0.31 0.23 -0.17 0.42 0.70 0.00 0.00 175.22 176.09 1cw3 s ILE 381 N 0.20 1.34 0.43 0.64 1.01 -1.26 -1.27 121.20 122.28 1cw3 s ILE 381 Ca 0.36 -0.75 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 1cw3 s ILE 381 Cb -0.19 -1.12 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1cw3 s ILE 381 CO 0.20 0.36 1.23 -1.10 0.00 0.00 0.00 174.94 175.62 1cw3 s GLN 382 N -0.45 3.88 -0.13 2.79 -0.21 -0.27 -4.72 119.66 120.55 1cw3 s GLN 382 Ca 0.06 1.96 -0.29 0.00 0.02 0.00 0.00 55.36 57.12 1cw3 s GLN 382 Cb -0.07 -2.61 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 1cw3 s GLN 382 CO -0.00 -0.50 1.95 -2.14 -2.12 0.00 0.00 175.29 172.47 1cw3 s PRO 383 N -2.41 3.69 -0.07 2.91 0.02 -1.26 -4.32 135.00 133.56 1cw3 s PRO 383 Ca 0.60 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.73 1cw3 s PRO 383 Cb -0.33 -4.20 -0.03 0.00 0.02 0.00 0.00 34.50 29.96 1cw3 s PRO 383 CO 0.42 -1.45 -0.00 0.99 -0.33 0.00 0.00 177.00 176.63 1cw3 s THR 384 N 6.00 4.25 -0.06 0.99 2.01 0.40 -3.66 115.64 125.56 1cw3 s THR 384 Ca 0.87 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1cw3 s THR 384 Cb -0.34 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1cw3 s THR 384 CO 0.36 0.57 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.08 1cw3 s VAL 385 N -0.92 0.82 -0.13 3.82 1.01 -1.07 -0.51 120.40 123.42 1cw3 s VAL 385 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1cw3 s VAL 385 Cb -0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1cw3 s VAL 385 CO 0.04 0.30 -0.13 -0.36 0.00 0.00 0.00 175.10 174.94 1cw3 s PHE 386 N 0.99 2.82 0.43 5.22 0.40 0.79 -0.25 117.98 128.37 1cw3 s PHE 386 Ca -0.09 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1cw3 s PHE 386 Cb -0.15 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1cw3 s PHE 386 CO 0.00 -0.22 0.39 0.20 0.70 0.00 0.00 175.22 176.30 1cw3 s GLY 387 N 0.37 2.14 -1.38 4.36 0.00 0.16 -1.23 107.32 111.74 1cw3 s GLY 387 Ca -0.11 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.66 1cw3 s GLY 387 CO 0.05 -1.71 0.59 1.22 0.00 0.00 0.00 173.10 173.26 1cw3 n ASP 388 N -1.58 -4.18 -4.77 1.64 8.00 -1.04 -2.36 116.55 112.26 1cw3 n ASP 388 Ca 0.04 -0.47 -0.38 0.00 0.71 0.00 0.00 54.79 54.69 1cw3 n ASP 388 Cb 0.62 -3.42 -0.01 0.00 -0.02 0.00 0.00 41.12 38.28 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 -3.03 3.07 0.19 2.53 1.01 -0.64 -4.74 120.40 118.78 1cw3 s VAL 389 Ca 0.44 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1cw3 s VAL 389 Cb -0.23 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1cw3 s VAL 389 CO 0.55 0.06 0.02 -1.10 0.00 0.00 0.00 175.10 174.63 1cw3 s GLN 390 N -2.40 2.46 0.35 2.72 -1.52 -1.26 -4.57 119.66 115.44 1cw3 s GLN 390 Ca 0.59 -1.12 0.05 0.00 -1.95 0.00 0.00 55.36 52.92 1cw3 s GLN 390 Cb -0.31 -2.37 0.69 0.00 -0.22 0.00 0.00 33.01 30.81 1cw3 s GLN 390 CO 0.39 0.44 1.96 -0.44 -0.25 0.00 0.00 175.29 177.39 1cw3 h ASP 391 N 2.50 0.71 1.01 5.90 3.32 -1.96 -2.73 116.42 125.17 1cw3 h ASP 391 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1cw3 h ASP 391 Cb 1.21 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1cw3 h ASP 391 CO 0.59 0.47 0.00 1.23 -1.72 0.00 0.00 179.24 179.80 1cw3 h GLY 392 N 0.81 0.00 -2.73 2.75 0.00 -1.96 -3.42 103.07 98.53 1cw3 h GLY 392 Ca 0.32 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.13 1cw3 h GLY 392 CO -0.10 0.00 0.50 1.06 0.00 0.00 0.00 176.54 178.00 1cw3 s MET 393 N -3.26 3.67 0.30 4.80 -1.94 -1.03 -4.94 119.30 116.90 1cw3 s MET 393 Ca 0.06 1.84 -0.01 0.00 -1.71 0.00 0.00 55.69 55.86 1cw3 s MET 393 Cb 0.10 -2.38 0.46 0.00 2.01 0.00 0.00 34.83 35.02 1cw3 s MET 393 CO 0.47 -0.64 1.95 1.15 -0.01 0.00 0.00 175.02 177.94 1cw3 h THR 394 N 1.81 1.17 0.00 2.05 2.02 -1.90 -0.59 112.91 117.48 1cw3 h THR 394 Ca -0.50 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1cw3 h THR 394 Cb 1.25 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1cw3 h THR 394 CO 0.60 0.20 0.00 2.30 0.37 0.00 0.00 175.52 178.99 1cw3 n ILE 395 N -4.43 0.67 0.92 3.11 -5.35 -1.26 -1.07 119.36 111.95 1cw3 n ILE 395 Ca 0.11 0.17 0.11 0.00 -0.27 0.00 0.00 62.75 62.86 1cw3 n ILE 395 Cb 0.08 -0.84 0.07 0.00 -1.74 0.00 0.00 39.64 37.21 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 -1.48 2.65 0.00 -1.28 0.00 -0.26 -4.60 120.51 115.54 1cw3 n ALA 396 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1cw3 n ALA 396 Cb 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1cw3 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cw3 n LYS 397 N 1.00 0.67 -3.97 0.00 5.02 -0.76 -4.94 118.16 115.18 1cw3 n LYS 397 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 1cw3 n LYS 397 Cb 0.53 -0.94 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1cw3 n LYS 397 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cw3 s GLU 398 N -1.87 3.26 -0.51 1.97 2.02 -0.23 -4.91 118.70 118.42 1cw3 s GLU 398 Ca 0.00 -0.59 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 1cw3 s GLU 398 Cb 0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.34 1cw3 s GLU 398 CO 0.00 0.56 1.39 -2.00 0.02 0.00 0.00 175.26 175.24 1cw3 s GLU 399 N -2.75 3.41 0.16 1.61 2.12 -1.26 -4.81 118.70 117.18 1cw3 s GLU 399 Ca 0.33 0.60 0.03 0.00 0.36 0.00 0.00 54.97 56.29 1cw3 s GLU 399 Cb -0.12 -4.08 -0.02 0.00 0.26 0.00 0.00 34.13 30.17 1cw3 s GLU 399 CO 0.26 -1.79 1.37 0.82 -0.54 0.00 0.00 175.26 175.38 1cw3 h ILE 400 N 6.39 1.52 -4.86 -3.70 2.04 -1.92 -3.48 117.51 113.50 1cw3 h ILE 400 Ca -0.27 -2.70 -0.39 0.00 1.00 0.00 0.00 64.86 62.50 1cw3 h ILE 400 Cb 1.09 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1cw3 h ILE 400 CO 1.15 0.78 -0.58 0.33 0.00 0.00 0.00 178.15 179.83 1cw3 n PHE 401 N -3.62 -1.90 -4.09 1.37 7.35 -1.26 -4.66 117.46 110.65 1cw3 n PHE 401 Ca -0.03 0.50 -0.15 0.00 -0.76 0.00 0.00 57.45 57.00 1cw3 n PHE 401 Cb 0.82 -3.87 -0.04 0.00 0.35 0.00 0.00 39.48 36.74 1cw3 n PHE 401 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1cw3 s GLY 402 N -2.70 1.60 -0.42 7.13 0.00 -1.18 -4.01 107.32 107.74 1cw3 s GLY 402 Ca 0.34 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 1cw3 s GLY 402 CO 0.42 -1.02 2.16 -1.55 0.00 0.00 0.00 173.10 173.11 1cw3 n PRO 403 N -0.60 1.54 -4.04 2.90 -0.04 -1.17 -4.45 135.00 129.14 1cw3 n PRO 403 Ca 0.01 -0.96 -0.32 0.00 -0.04 0.00 0.00 63.50 62.19 1cw3 n PRO 403 Cb 0.61 -2.09 -0.15 0.00 -0.04 0.00 0.00 33.50 31.83 1cw3 n PRO 403 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cw3 s VAL 404 N 2.61 1.98 -0.15 0.52 1.01 -1.26 -0.45 120.40 124.66 1cw3 s VAL 404 Ca 0.38 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 1cw3 s VAL 404 Cb 0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1cw3 s VAL 404 CO -0.02 -0.01 0.37 -0.32 0.00 0.00 0.00 175.10 175.13 1cw3 s MET 405 N 1.20 4.28 -0.19 2.72 1.75 0.33 -4.96 119.30 124.43 1cw3 s MET 405 Ca -0.07 0.24 -0.05 0.00 -1.25 0.00 0.00 55.69 54.56 1cw3 s MET 405 Cb -0.19 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.01 1cw3 s MET 405 CO -0.06 0.18 -0.00 -0.65 -0.65 0.00 0.00 175.02 173.84 1cw3 s GLN 406 N 0.60 3.63 -0.20 4.11 1.11 -1.25 -0.15 119.66 127.51 1cw3 s GLN 406 Ca 0.20 -0.52 -0.01 0.00 0.01 0.00 0.00 55.36 55.05 1cw3 s GLN 406 Cb -0.14 -3.06 0.01 0.00 -1.01 0.00 0.00 33.01 28.81 1cw3 s GLN 406 CO 0.07 0.05 -0.12 0.42 0.01 0.00 0.00 175.29 175.71 1cw3 s ILE 407 N 0.90 2.67 0.17 1.08 1.01 -0.37 -1.64 121.20 125.02 1cw3 s ILE 407 Ca 0.01 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1cw3 s ILE 407 Cb -0.14 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1cw3 s ILE 407 CO 0.02 0.45 -0.13 -0.76 0.00 0.00 0.00 174.94 174.51 1cw3 s LEU 408 N 1.37 2.84 -0.09 2.97 1.02 -0.17 -1.62 118.68 124.99 1cw3 s LEU 408 Ca 0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.58 1cw3 s LEU 408 Cb -0.14 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 1cw3 s LEU 408 CO -0.08 0.12 -0.09 -0.75 0.02 0.00 0.00 176.35 175.57 1cw3 s LYS 409 N -2.67 2.97 0.18 1.70 2.20 -1.26 -0.90 119.74 121.95 1cw3 s LYS 409 Ca 0.23 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1cw3 s LYS 409 Cb -0.09 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 1cw3 s LYS 409 CO 0.13 0.51 0.06 -0.59 -0.36 0.00 0.00 175.35 175.10 1cw3 s PHE 410 N -0.41 1.16 -0.01 4.03 -0.12 -0.85 -4.91 117.98 116.86 1cw3 s PHE 410 Ca 0.06 -1.17 -0.07 0.00 -0.05 0.00 0.00 56.93 55.70 1cw3 s PHE 410 Cb -0.12 -0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 41.60 1cw3 s PHE 410 CO 0.02 -0.40 -0.13 1.17 -0.05 0.00 0.00 175.22 175.84 1cw3 n LYS 411 N -0.24 0.20 -3.69 1.99 4.81 -1.26 -0.90 118.16 119.07 1cw3 n LYS 411 Ca -0.04 0.08 -0.20 0.00 -0.87 0.00 0.00 58.31 57.28 1cw3 n LYS 411 Cb 0.64 -0.81 -0.02 0.00 0.02 0.00 0.00 35.03 34.86 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 -2.24 4.27 0.17 3.15 -4.23 -1.26 -4.83 115.64 110.68 1cw3 s THR 412 Ca -0.11 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1cw3 s THR 412 Cb 0.01 -3.47 -0.13 0.00 1.34 0.00 0.00 72.50 70.25 1cw3 s THR 412 CO 0.16 -0.21 1.41 -0.29 -0.54 0.00 0.00 174.62 175.14 1cw3 h ILE 413 N 1.06 1.45 -0.57 2.99 2.10 -1.99 -2.30 117.51 120.24 1cw3 h ILE 413 Ca -0.47 -2.42 -0.10 0.00 1.08 0.00 0.00 64.86 62.95 1cw3 h ILE 413 Cb 1.25 2.33 -0.02 0.00 -1.09 0.00 0.00 36.82 39.29 1cw3 h ILE 413 CO 0.56 0.71 -0.03 -0.33 -1.08 0.00 0.00 178.15 177.98 1cw3 h GLU 414 N 0.16 1.03 0.14 2.19 3.07 -2.00 -2.46 114.58 116.71 1cw3 h GLU 414 Ca -0.04 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1cw3 h GLU 414 Cb 1.42 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1cw3 h GLU 414 CO 0.13 1.04 -0.07 1.49 -1.40 0.00 0.00 179.01 180.20 1cw3 h GLU 415 N 0.92 -0.18 0.00 2.33 4.81 -1.94 -2.79 114.58 117.73 1cw3 h GLU 415 Ca 0.16 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1cw3 h GLU 415 Cb 0.59 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1cw3 h GLU 415 CO 0.04 -0.09 -0.20 -0.24 -0.73 0.00 0.00 179.01 177.79 1cw3 h VAL 416 N -0.22 0.98 0.05 0.32 3.04 -1.38 -1.89 116.25 117.15 1cw3 h VAL 416 Ca -0.02 -0.74 -0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1cw3 h VAL 416 Cb 0.17 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1cw3 h VAL 416 CO 0.03 0.20 -0.02 0.58 -1.01 0.00 0.00 177.57 177.35 1cw3 h VAL 417 N 0.00 1.12 -0.80 1.51 2.07 -1.23 0.65 116.25 119.57 1cw3 h VAL 417 Ca -0.00 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1cw3 h VAL 417 Cb 0.40 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1cw3 h VAL 417 CO 0.03 0.14 0.47 1.23 0.02 0.00 0.00 177.57 179.46 1cw3 h GLY 418 N -0.31 1.17 0.90 2.17 0.00 -1.23 -0.68 103.07 105.08 1cw3 h GLY 418 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1cw3 h GLY 418 CO 0.01 0.48 -0.15 3.21 0.00 0.00 0.00 176.54 180.09 1cw3 h ARG 419 N 1.10 0.60 -0.73 4.80 3.08 -1.27 -0.40 114.38 121.55 1cw3 h ARG 419 Ca 0.29 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1cw3 h ARG 419 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1cw3 h ARG 419 CO -0.05 0.85 0.22 0.00 -1.07 0.00 0.00 179.97 179.92 1cw3 h ALA 420 N 0.74 1.01 0.00 0.04 0.00 -0.73 -2.75 119.26 117.56 1cw3 h ALA 420 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cw3 h ALA 420 Cb 0.68 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cw3 h ALA 420 CO 0.04 0.66 0.00 -0.91 0.00 0.00 0.00 179.25 179.05 1cw3 h ASN 421 N 1.09 0.00 -0.11 0.00 2.35 -1.01 -3.39 115.58 114.51 1cw3 h ASN 421 Ca 0.24 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.29 1cw3 h ASN 421 Cb 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1cw3 h ASN 421 CO -0.01 0.00 2.91 -3.20 -1.65 0.00 0.00 177.43 175.49 1cw3 n ASN 422 N -2.37 3.86 -3.57 5.81 2.85 -0.17 -4.81 115.26 116.86 1cw3 n ASN 422 Ca 0.05 -2.83 -0.17 0.00 -0.11 0.00 0.00 54.58 51.52 1cw3 n ASN 422 Cb 0.42 -1.62 -0.07 0.00 1.24 0.00 0.00 39.78 39.76 1cw3 n ASN 422 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1cw3 s SER 423 N 3.55 -0.56 0.00 1.20 0.15 -1.26 -4.99 113.70 111.79 1cw3 s SER 423 Ca 0.49 0.60 0.29 0.00 0.70 0.00 0.00 55.95 58.03 1cw3 s SER 423 Cb 0.13 0.50 1.35 0.00 -1.71 0.00 0.00 66.02 66.28 1cw3 s SER 423 CO -0.05 -0.57 1.92 0.35 1.20 0.00 0.00 173.24 176.09 1cw3 n THR 424 N 1.00 0.00 -3.68 6.45 -2.24 -1.26 -4.82 114.28 109.74 1cw3 n THR 424 Ca -0.19 -0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 1cw3 n THR 424 Cb 0.57 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1cw3 n THR 424 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1cw3 s TYR 425 N -2.18 3.15 -0.23 4.78 4.12 -1.26 -1.58 117.35 124.14 1cw3 s TYR 425 Ca 0.37 -0.18 0.02 0.00 0.02 0.00 0.00 57.07 57.30 1cw3 s TYR 425 Cb 0.21 -1.83 0.07 0.00 -1.52 0.00 0.00 41.96 38.89 1cw3 s TYR 425 CO 0.40 0.15 0.94 0.41 0.02 0.00 0.00 175.55 177.48 1cw3 n GLY 426 N -1.51 -0.58 0.13 0.71 0.00 -1.22 -4.86 105.19 97.86 1cw3 n GLY 426 Ca -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 0.85 0.53 -8.16 0.99 5.85 -1.82 0.96 115.31 114.52 1cw3 h LEU 427 Ca -0.41 -0.84 -0.08 0.00 0.84 0.00 0.00 57.88 57.38 1cw3 h LEU 427 Cb 1.18 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1cw3 h LEU 427 CO -0.15 1.32 0.12 0.00 -0.34 0.00 0.00 178.44 179.39 1cw3 s ALA 428 N -2.87 -0.35 0.14 1.25 0.00 -1.26 -2.65 121.76 116.02 1cw3 s ALA 428 Ca -0.13 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 1cw3 s ALA 428 Cb 0.03 0.84 0.07 0.00 0.00 0.00 0.00 23.12 24.05 1cw3 s ALA 428 CO 0.83 -0.93 0.96 0.00 0.00 0.00 0.00 175.76 176.62 1cw3 s ALA 429 N -2.75 -1.67 0.00 0.00 0.00 -0.05 -4.10 121.76 113.19 1cw3 s ALA 429 Ca 0.19 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1cw3 s ALA 429 Cb -0.04 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1cw3 s ALA 429 CO 0.13 -1.02 0.29 0.00 0.00 0.00 0.00 175.76 175.16 1cw3 s ALA 430 N -3.26 -0.70 -0.04 0.00 0.00 -0.57 -1.48 121.76 115.72 1cw3 s ALA 430 Ca 0.12 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1cw3 s ALA 430 Cb -0.01 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1cw3 s ALA 430 CO 0.02 -0.29 -0.02 0.08 0.00 0.00 0.00 175.76 175.54 1cw3 s VAL 431 N -1.67 0.35 -0.23 0.00 1.01 0.50 -0.65 120.40 119.71 1cw3 s VAL 431 Ca -0.11 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1cw3 s VAL 431 Cb -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.98 1cw3 s VAL 431 CO 0.02 0.18 -0.12 -0.36 0.00 0.00 0.00 175.10 174.82 1cw3 s PHE 432 N 0.95 2.88 0.04 5.22 0.40 0.53 -0.23 117.98 127.77 1cw3 s PHE 432 Ca -0.11 -1.95 -0.27 0.00 -0.60 0.00 0.00 56.93 54.00 1cw3 s PHE 432 Cb -0.14 -1.82 0.09 0.00 0.51 0.00 0.00 43.02 41.66 1cw3 s PHE 432 CO -0.01 -0.82 0.82 -0.08 0.70 0.00 0.00 175.22 175.83 1cw3 s THR 433 N 1.24 0.00 -0.09 0.64 -1.32 -1.26 -1.08 115.64 113.76 1cw3 s THR 433 Ca -0.04 -0.03 0.21 0.00 -1.21 0.00 0.00 61.69 60.61 1cw3 s THR 433 Cb -0.18 -1.05 -0.31 0.00 -1.51 0.00 0.00 72.50 69.45 1cw3 s THR 433 CO -0.08 0.00 0.48 0.29 -2.21 0.00 0.00 174.62 173.10 1cw3 n LYS 434 N -0.29 0.61 -2.47 7.08 5.02 -1.24 -4.84 118.16 122.03 1cw3 n LYS 434 Ca -0.11 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.59 1cw3 n LYS 434 Cb 0.62 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 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 -4.29 7.10 0.12 4.39 -1.08 -1.26 -4.97 116.67 116.68 1cw3 s ASP 435 Ca -0.07 1.87 -0.20 0.00 -0.52 0.00 0.00 52.55 53.63 1cw3 s ASP 435 Cb 0.13 -2.57 -0.07 0.00 -1.46 0.00 0.00 42.92 38.96 1cw3 s ASP 435 CO 0.86 -0.50 1.75 0.25 0.52 0.00 0.00 175.17 178.04 1cw3 h LEU 436 N 7.51 0.07 -0.82 -1.34 5.85 -2.00 -2.39 115.31 122.20 1cw3 h LEU 436 Ca -0.38 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1cw3 h LEU 436 Cb 1.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1cw3 h LEU 436 CO 0.84 0.07 0.25 0.44 -0.34 0.00 0.00 178.44 179.69 1cw3 h ASP 437 N 0.14 1.05 -0.51 1.25 3.45 -2.00 -2.57 116.42 117.24 1cw3 h ASP 437 Ca 0.07 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.27 1cw3 h ASP 437 Cb 0.03 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.51 1cw3 h ASP 437 CO -0.07 0.96 0.04 0.11 -1.57 0.00 0.00 179.24 178.72 1cw3 h LYS 438 N 1.09 0.87 -0.31 3.56 1.57 -1.95 -0.81 116.57 120.59 1cw3 h LYS 438 Ca 0.24 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1cw3 h LYS 438 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1cw3 h LYS 438 CO -0.01 0.88 0.18 0.00 -0.57 0.00 0.00 179.45 179.93 1cw3 h ALA 439 N 0.96 0.40 -0.28 3.86 0.00 -1.33 -0.83 119.26 122.04 1cw3 h ALA 439 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1cw3 h ALA 439 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cw3 h ALA 439 CO 0.02 -0.09 -0.05 -0.91 0.00 0.00 0.00 179.25 178.22 1cw3 h ASN 440 N 0.40 0.53 0.03 0.00 2.35 -1.39 -0.46 115.58 117.04 1cw3 h ASN 440 Ca 0.11 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1cw3 h ASN 440 Cb 0.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1cw3 h ASN 440 CO -0.02 0.75 -0.07 0.22 -1.65 0.00 0.00 177.43 176.66 1cw3 h TYR 441 N 0.29 -0.17 0.15 1.19 3.20 -1.04 -2.21 116.97 118.38 1cw3 h TYR 441 Ca 0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1cw3 h TYR 441 Cb 0.51 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1cw3 h TYR 441 CO 0.05 -0.11 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.32 1cw3 h LEU 442 N -0.14 -0.17 -1.87 2.82 3.38 -1.15 -1.19 115.31 116.99 1cw3 h LEU 442 Ca 0.02 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 57.95 1cw3 h LEU 442 Cb 0.15 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1cw3 h LEU 442 CO -0.05 0.13 0.48 0.77 0.09 0.00 0.00 178.44 179.86 1cw3 h SER 443 N -0.49 0.11 0.02 -0.43 4.64 -1.08 -1.22 113.55 115.11 1cw3 h SER 443 Ca -0.02 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1cw3 h SER 443 Cb 0.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1cw3 h SER 443 CO 0.03 0.05 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.43 1cw3 h GLN 444 N 0.12 -0.02 -0.58 4.77 4.15 -1.29 -3.37 115.11 118.88 1cw3 h GLN 444 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1cw3 h GLN 444 Cb 1.14 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1cw3 h GLN 444 CO -0.04 0.71 0.29 0.00 -1.93 0.00 0.00 178.83 177.86 1cw3 h ALA 445 N -0.13 1.41 -2.38 3.38 0.00 -0.60 -3.44 119.26 117.49 1cw3 h ALA 445 Ca -0.00 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.25 1cw3 h ALA 445 Cb 0.75 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1cw3 h ALA 445 CO 0.00 0.47 0.99 -0.51 0.00 0.00 0.00 179.25 180.20 1cw3 s LEU 446 N -9.54 4.34 -1.42 0.00 1.43 -0.52 -4.92 118.68 108.06 1cw3 s LEU 446 Ca -0.10 2.34 -0.10 0.00 -1.03 0.00 0.00 54.13 55.25 1cw3 s LEU 446 Cb 0.17 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1cw3 s LEU 446 CO 0.78 -0.86 2.35 0.00 0.23 0.00 0.00 176.35 178.85 1cw3 n GLN 447 N 5.96 3.69 -4.25 1.70 6.02 -1.26 -4.90 117.38 124.33 1cw3 n GLN 447 Ca 0.16 -2.97 -0.21 0.00 -0.01 0.00 0.00 57.00 53.97 1cw3 n GLN 447 Cb 0.42 -2.91 -0.12 0.00 1.02 0.00 0.00 30.24 28.64 1cw3 n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 s ALA 448 N 1.13 1.61 0.08 -1.58 0.00 -1.26 -4.55 121.76 117.19 1cw3 s ALA 448 Ca 0.52 -1.22 0.30 0.00 0.00 0.00 0.00 51.96 51.57 1cw3 s ALA 448 Cb 0.15 -0.17 1.19 0.00 0.00 0.00 0.00 23.12 24.29 1cw3 s ALA 448 CO -0.06 0.25 1.92 0.78 0.00 0.00 0.00 175.76 178.66 1cw3 h GLY 449 N 3.94 0.00 -5.98 0.00 0.00 -1.11 -3.42 103.07 96.49 1cw3 h GLY 449 Ca -0.43 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 1cw3 h GLY 449 CO 0.43 0.00 -0.42 -1.59 0.00 0.00 0.00 176.54 174.96 1cw3 s THR 450 N -3.65 -0.18 -0.25 4.70 2.01 -1.18 -4.62 115.64 112.47 1cw3 s THR 450 Ca 0.01 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1cw3 s THR 450 Cb 0.09 -0.50 0.05 0.00 0.01 0.00 0.00 72.50 72.15 1cw3 s THR 450 CO 0.58 0.07 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.77 1cw3 s VAL 451 N 1.69 2.27 -0.03 3.82 1.01 -1.26 -0.87 120.40 127.04 1cw3 s VAL 451 Ca -0.06 -1.51 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 1cw3 s VAL 451 Cb -0.10 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1cw3 s VAL 451 CO -0.10 0.03 0.52 0.26 0.00 0.00 0.00 175.10 175.81 1cw3 s TRP 452 N 1.14 3.65 -0.22 5.22 0.51 -0.55 -4.96 118.94 123.74 1cw3 s TRP 452 Ca -0.07 1.08 -0.01 0.00 -2.12 0.00 0.00 56.10 54.97 1cw3 s TRP 452 Cb -0.19 -2.52 0.01 0.00 -0.81 0.00 0.00 33.47 29.97 1cw3 s TRP 452 CO -0.05 0.38 -0.10 0.08 -0.51 0.00 0.00 176.95 176.75 1cw3 s VAL 453 N -0.22 2.78 -1.53 4.03 1.01 -1.26 -0.37 120.40 124.85 1cw3 s VAL 453 Ca 0.28 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1cw3 s VAL 453 Cb -0.17 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1cw3 s VAL 453 CO 0.15 0.36 0.32 0.59 0.00 0.00 0.00 175.10 176.52 1cw3 n ASN 454 N 4.69 -5.68 -3.63 3.32 3.02 0.68 -4.94 115.26 112.71 1cw3 n ASN 454 Ca -0.18 -0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 54.20 1cw3 n ASN 454 Cb 0.49 -4.60 -0.00 0.00 -0.61 0.00 0.00 39.78 35.06 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 -2.59 -0.46 -1.46 0.00 5.04 -1.26 -4.71 117.35 111.91 1cw3 s TYR 456 Ca 0.17 0.69 -0.09 0.00 -2.44 0.00 0.00 57.07 55.40 1cw3 s TYR 456 Cb 0.01 0.31 0.05 0.00 0.35 0.00 0.00 41.96 42.68 1cw3 s TYR 456 CO 0.01 -0.57 0.81 -0.25 -1.34 0.00 0.00 175.55 174.20 1cw3 n ASP 457 N 0.81 -5.27 -4.38 4.32 8.00 -1.26 -4.94 116.55 113.83 1cw3 n ASP 457 Ca -0.19 -0.51 -0.45 0.00 0.71 0.00 0.00 54.79 54.34 1cw3 n ASP 457 Cb 0.58 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.41 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 -3.19 5.03 0.11 2.53 1.01 -1.26 -5.03 120.40 119.60 1cw3 s VAL 458 Ca 0.49 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1cw3 s VAL 458 Cb -0.24 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 1cw3 s VAL 458 CO 0.61 -1.19 0.39 -0.36 0.00 0.00 0.00 175.10 174.55 1cw3 s PHE 459 N 1.96 3.53 -0.05 5.22 0.40 -1.26 -5.09 117.98 122.69 1cw3 s PHE 459 Ca 0.18 0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 57.19 1cw3 s PHE 459 Cb -0.16 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.31 1cw3 s PHE 459 CO -0.02 0.48 0.11 0.20 0.70 0.00 0.00 175.22 176.69 1cw3 s GLY 460 N -2.03 0.04 0.66 4.36 0.00 -1.26 -5.00 107.32 104.09 1cw3 s GLY 460 Ca 0.36 0.52 0.34 0.00 0.00 0.00 0.00 44.72 45.94 1cw3 s GLY 460 CO 0.20 1.08 2.04 0.00 0.00 0.00 0.00 173.10 176.42 1cw3 h ALA 461 N 7.56 1.24 0.00 3.20 0.00 -1.95 -0.36 119.26 128.95 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 0.36 -0.24 -1.02 0.00 0.00 0.00 0.00 179.25 178.36 1cw3 n GLN 462 N -2.93 0.56 -3.99 0.00 0.00 -1.26 -0.20 117.38 109.57 1cw3 n GLN 462 Ca -0.02 0.10 -0.35 0.00 0.00 0.00 0.00 57.00 56.73 1cw3 n GLN 462 Cb 0.29 -1.79 -0.10 0.00 0.00 0.00 0.00 30.24 28.64 1cw3 n GLN 462 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1cw3 s SER 463 N -5.13 5.53 0.65 2.61 0.01 -0.15 -3.86 113.70 113.37 1cw3 s SER 463 Ca -0.00 0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 1cw3 s SER 463 Cb 0.10 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1cw3 s SER 463 CO 0.79 0.14 1.26 -0.81 0.41 0.00 0.00 173.24 175.03 1cw3 n PRO 464 N 3.75 1.05 -3.85 12.44 -0.04 -1.26 -4.32 135.00 142.77 1cw3 n PRO 464 Ca -0.16 0.41 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1cw3 n PRO 464 Cb 0.52 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.33 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 -1.43 0.16 -0.08 0.54 5.36 0.10 -4.93 117.98 117.70 1cw3 s PHE 465 Ca 0.82 0.07 -0.31 0.00 -0.96 0.00 0.00 56.93 56.54 1cw3 s PHE 465 Cb -0.38 -0.30 0.11 0.00 -0.34 0.00 0.00 43.02 42.11 1cw3 s PHE 465 CO 0.41 -0.10 1.37 0.20 -1.46 0.00 0.00 175.22 175.64 1cw3 s GLY 466 N 0.98 -0.29 0.23 13.12 0.00 -1.26 -0.80 107.32 119.30 1cw3 s GLY 466 Ca -0.09 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.10 1cw3 s GLY 466 CO -0.02 4.48 0.07 -0.32 0.00 0.00 0.00 173.10 177.30 1cw3 s GLY 467 N -3.62 1.60 0.18 0.20 0.00 -1.26 -3.94 107.32 100.49 1cw3 s GLY 467 Ca 0.26 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.53 1cw3 s GLY 467 CO -0.04 -1.52 0.32 -0.19 0.00 0.00 0.00 173.10 171.68 1cw3 s TYR 468 N -2.07 3.48 0.00 1.90 1.51 0.25 -4.39 117.35 118.03 1cw3 s TYR 468 Ca 0.31 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 1cw3 s TYR 468 Cb -0.08 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1cw3 s TYR 468 CO 0.21 0.47 0.00 1.63 -1.11 0.00 0.00 175.55 176.75 1cw3 n LYS 469 N -0.77 0.00 -0.20 -0.62 5.02 -1.26 -2.16 118.16 118.17 1cw3 n LYS 469 Ca -0.07 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1cw3 n LYS 469 Cb 0.55 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.71 1cw3 n LYS 469 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cw3 n MET 470 N 14.00 1.92 -0.00 1.97 2.81 -0.62 -3.71 117.12 133.49 1cw3 n MET 470 Ca 0.00 -1.27 0.14 0.00 -1.81 0.00 0.00 57.70 54.77 1cw3 n MET 470 Cb 0.00 -1.34 0.73 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.48 0.67 0.00 7.83 7.64 -0.92 -4.64 113.62 124.68 1cw3 n SER 471 Ca 0.12 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1cw3 n SER 471 Cb 0.34 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.06 0.81 3.22 0.23 0.00 -1.24 -0.36 105.19 108.91 1cw3 n GLY 472 Ca 0.21 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1cw3 n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 473 N -2.61 -0.35 0.00 1.61 1.04 0.51 -4.48 113.70 109.43 1cw3 s SER 473 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1cw3 s SER 473 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1cw3 s SER 473 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1cw3 n GLY 474 N 2.95 0.09 3.02 7.32 0.00 -1.26 -1.33 105.19 115.98 1cw3 n GLY 474 Ca -0.13 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.22 0.28 0.29 1.61 1.81 -1.26 -4.34 118.95 116.13 1cw3 s ARG 475 Ca 0.00 -0.22 0.10 0.00 -1.72 0.00 0.00 55.73 53.89 1cw3 s ARG 475 Cb 0.00 0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.57 1cw3 s ARG 475 CO 0.00 -0.06 -0.00 -1.21 -0.68 0.00 0.00 175.30 173.35 1cw3 s GLU 476 N -0.78 2.21 0.15 3.54 2.02 0.02 -3.94 118.70 121.92 1cw3 s GLU 476 Ca -0.09 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1cw3 s GLU 476 Cb -0.05 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1cw3 s GLU 476 CO 0.00 0.29 0.00 1.28 0.02 0.00 0.00 175.26 176.86 1cw3 n LEU 477 N -0.91 -0.27 0.00 1.80 4.77 -1.26 0.01 117.00 121.14 1cw3 n LEU 477 Ca -0.05 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1cw3 n LEU 477 Cb 0.60 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1cw3 n LEU 477 CO 0.41 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 1cw3 n GLY 478 N -2.86 -0.25 0.18 -0.72 0.00 0.72 -1.26 105.19 101.00 1cw3 n GLY 478 Ca -0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 0.40 -0.65 1.61 4.81 -1.88 -3.09 114.58 115.78 1cw3 h GLU 479 Ca 0.00 -0.30 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1cw3 h GLU 479 Cb 0.00 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1cw3 h GLU 479 CO 0.00 0.93 0.44 1.88 -0.73 0.00 0.00 179.01 181.53 1cw3 h TYR 480 N 0.28 0.40 0.00 0.92 -1.99 -1.92 -0.65 116.97 114.02 1cw3 h TYR 480 Ca -0.02 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1cw3 h TYR 480 Cb 1.22 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1cw3 h TYR 480 CO 0.04 0.17 0.18 0.78 -0.00 0.00 0.00 178.16 179.33 1cw3 h GLY 481 N 0.36 0.00 1.18 3.88 0.00 -1.09 -0.75 103.07 106.65 1cw3 h GLY 481 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1cw3 h GLY 481 CO -0.08 0.00 -1.05 1.41 0.00 0.00 0.00 176.54 176.81 1cw3 h LEU 482 N 0.00 0.00 -0.16 3.11 3.38 -1.30 -3.39 115.31 116.94 1cw3 h LEU 482 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1cw3 h LEU 482 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1cw3 h LEU 482 CO 0.00 0.31 -0.20 1.56 0.09 0.00 0.00 178.44 180.20 1cw3 h GLN 483 N 0.00 -0.23 0.00 1.13 4.20 -1.25 -1.94 115.11 117.02 1cw3 h GLN 483 Ca -0.07 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1cw3 h GLN 483 Cb 1.30 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1cw3 h GLN 483 CO 0.03 -0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.04 1cw3 n ALA 484 N -2.68 1.35 -0.58 3.87 0.00 -1.26 -2.14 120.51 119.07 1cw3 n ALA 484 Ca -0.02 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1cw3 n ALA 484 Cb 0.26 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.08 1.03 -5.01 0.00 4.02 -0.74 -4.90 117.16 109.47 1cw3 n TYR 485 Ca 0.01 -0.64 -0.29 0.00 -0.01 0.00 0.00 57.90 56.96 1cw3 n TYR 485 Cb 0.12 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 39.10 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 -1.82 1.96 -0.22 -0.72 2.01 -0.91 -2.55 115.64 113.38 1cw3 s THR 486 Ca 0.40 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1cw3 s THR 486 Cb 0.27 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 71.15 1cw3 s THR 486 CO 0.18 0.43 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.71 1cw3 s GLU 487 N -0.91 2.78 -0.07 4.92 2.56 0.69 -4.67 118.70 124.00 1cw3 s GLU 487 Ca 0.10 -0.99 -0.28 0.00 0.00 0.00 0.00 54.97 53.80 1cw3 s GLU 487 Cb -0.09 -2.79 -0.02 0.00 2.00 0.00 0.00 34.13 33.22 1cw3 s GLU 487 CO 0.01 -0.35 0.90 0.08 -0.56 0.00 0.00 175.26 175.33 1cw3 s VAL 488 N 1.26 4.89 -0.19 3.70 1.01 -1.26 -1.82 120.40 127.99 1cw3 s VAL 488 Ca 0.00 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 1cw3 s VAL 488 Cb -0.16 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1cw3 s VAL 488 CO -0.08 0.12 -0.16 -0.75 0.00 0.00 0.00 175.10 174.23 1cw3 s LYS 489 N 1.41 3.05 -0.17 2.72 2.20 -0.44 -4.96 119.74 123.54 1cw3 s LYS 489 Ca 0.45 -0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 55.09 1cw3 s LYS 489 Cb -0.19 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1cw3 s LYS 489 CO 0.21 -0.23 0.42 0.99 -0.36 0.00 0.00 175.35 176.38 1cw3 s THR 490 N 1.33 5.20 -0.25 3.43 2.01 -1.26 0.14 115.64 126.24 1cw3 s THR 490 Ca 0.05 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1cw3 s THR 490 Cb -0.14 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1cw3 s THR 490 CO -0.10 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.33 1cw3 s VAL 491 N 1.05 2.53 -0.28 3.82 1.01 0.65 -4.99 120.40 124.18 1cw3 s VAL 491 Ca 0.21 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1cw3 s VAL 491 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1cw3 s VAL 491 CO 0.08 0.13 0.01 -0.89 0.00 0.00 0.00 175.10 174.43 1cw3 s THR 492 N 1.23 3.34 -0.03 3.92 2.01 -1.26 -1.24 115.64 123.61 1cw3 s THR 492 Ca -0.03 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1cw3 s THR 492 Cb -0.18 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1cw3 s THR 492 CO -0.05 0.07 0.08 -0.69 -0.69 0.00 0.00 174.62 173.34 1cw3 s VAL 493 N 1.38 4.80 -0.00 3.82 1.01 0.29 -4.93 120.40 126.76 1cw3 s VAL 493 Ca -0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1cw3 s VAL 493 Cb -0.18 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1cw3 s VAL 493 CO -0.01 0.42 0.85 -0.75 0.00 0.00 0.00 175.10 175.62 1cw3 s LYS 494 N -1.52 4.52 0.14 2.72 2.20 -1.26 -0.11 119.74 126.43 1cw3 s LYS 494 Ca 0.21 1.19 0.10 0.00 -0.36 0.00 0.00 55.97 57.10 1cw3 s LYS 494 Cb -0.12 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1cw3 s LYS 494 CO 0.11 0.07 -0.23 0.14 -0.36 0.00 0.00 175.35 175.08 1cw3 s VAL 495 N 0.67 2.04 0.22 4.02 -7.23 -0.51 -4.87 120.40 114.74 1cw3 s VAL 495 Ca 0.45 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.74 1cw3 s VAL 495 Cb -0.20 -1.87 0.20 0.00 0.56 0.00 0.00 36.38 35.07 1cw3 s VAL 495 CO 0.24 -0.07 1.68 -0.65 -0.31 0.00 0.00 175.10 175.99 1cw3 h PRO 496 N 3.68 0.20 -1.32 4.82 0.11 -1.98 -3.42 132.00 134.09 1cw3 h PRO 496 Ca -0.47 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1cw3 h PRO 496 Cb 1.19 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 1cw3 h PRO 496 CO 0.43 0.13 -0.12 -1.14 -0.21 0.00 0.00 178.00 177.09 1cw3 s GLN 497 N -6.11 0.51 0.25 1.05 0.74 -1.26 -5.03 119.66 109.81 1cw3 s GLN 497 Ca -0.13 1.09 -0.30 0.00 0.05 0.00 0.00 55.36 56.07 1cw3 s GLN 497 Cb 0.19 0.63 -0.09 0.00 1.10 0.00 0.00 33.01 34.84 1cw3 s GLN 497 CO 0.74 -0.36 0.99 0.21 -0.55 0.00 0.00 175.29 176.32 1cw3 s LYS 498 N 2.84 4.79 0.05 1.67 2.20 -1.26 -5.05 119.74 124.97 1cw3 s LYS 498 Ca 0.06 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.28 1cw3 s LYS 498 Cb -0.12 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1cw3 s LYS 498 CO -0.19 0.42 -0.08 -0.80 -0.36 0.00 0.00 175.35 174.34 1cw3 s ASN 499 N -1.07 0.89 0.00 1.43 0.01 -1.26 -4.99 114.94 109.96 1cw3 s ASN 499 Ca 0.42 -0.61 0.11 0.00 -0.71 0.00 0.00 52.86 52.07 1cw3 s ASN 499 Cb -0.28 0.04 0.68 0.00 0.41 0.00 0.00 41.25 42.11 1cw3 s ASN 499 CO 0.35 -0.24 1.12 -1.54 -1.51 0.00 0.00 177.10 175.27