#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inj s VAL 8 N 0.00 1.07 0.32 0.00 1.01 -1.26 -5.12 120.40 116.43 3inj s VAL 8 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3inj s VAL 8 Cb 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.30 3inj s VAL 8 CO 0.00 0.33 1.51 -2.65 0.00 0.00 0.00 175.10 174.29 3inj n PRO 9 N 3.61 2.57 -1.74 2.72 -0.02 -1.26 -4.92 135.00 135.96 3inj n PRO 9 Ca -0.21 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3inj n PRO 9 Cb 0.52 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 3inj n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3inj n ALA 10 N 1.31 2.53 -1.87 3.55 0.00 -1.26 -4.96 120.51 119.80 3inj n ALA 10 Ca 0.06 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 3inj n ALA 10 Cb 0.37 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 3inj n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3inj s PRO 11 N -0.28 4.18 -0.27 0.00 0.05 -1.26 -5.02 135.00 132.39 3inj s PRO 11 Ca 0.66 1.04 -0.29 0.00 0.05 0.00 0.00 61.00 62.45 3inj s PRO 11 Cb -0.50 -2.22 0.01 0.00 0.05 0.00 0.00 34.50 31.84 3inj s PRO 11 CO 0.46 -0.01 1.07 1.21 0.05 0.00 0.00 177.00 179.78 3inj s ASN 12 N -2.24 7.00 0.00 6.66 3.84 -1.26 -4.93 114.94 124.02 3inj s ASN 12 Ca 0.61 1.22 0.29 0.00 0.21 0.00 0.00 52.86 55.19 3inj s ASN 12 Cb -0.09 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.35 3inj s ASN 12 CO 0.15 -0.79 1.91 0.00 -2.79 0.00 0.00 177.10 175.59 3inj n GLN 13 N 6.62 0.38 -3.34 0.43 6.02 -1.26 -3.83 117.38 122.40 3inj n GLN 13 Ca 0.12 -0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 56.78 3inj n GLN 13 Cb 0.47 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 3inj n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3inj n GLN 14 N -1.25 0.79 -2.26 -1.09 1.13 -1.26 -5.03 117.38 108.41 3inj n GLN 14 Ca 0.12 -3.45 -0.41 0.00 -1.94 0.00 0.00 57.00 51.33 3inj n GLN 14 Cb 0.28 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3inj n GLN 14 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3inj s PRO 15 N -0.89 4.46 0.60 -1.09 0.02 -1.25 -5.00 135.00 131.86 3inj s PRO 15 Ca 0.34 2.04 -0.15 0.00 0.02 0.00 0.00 61.00 63.25 3inj s PRO 15 Cb 0.11 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 3inj s PRO 15 CO -0.14 -0.06 1.05 -2.00 -0.33 0.00 0.00 177.00 175.52 3inj s GLU 16 N -1.33 3.33 -0.15 5.54 2.12 -1.26 -5.01 118.70 121.93 3inj s GLU 16 Ca 0.49 1.12 -0.05 0.00 0.36 0.00 0.00 54.97 56.89 3inj s GLU 16 Cb -0.36 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 3inj s GLU 16 CO 0.46 -0.79 0.01 0.08 -0.54 0.00 0.00 175.26 174.47 3inj s VAL 17 N -2.60 4.34 -0.02 3.70 1.01 -1.26 -4.99 120.40 120.57 3inj s VAL 17 Ca 0.62 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3inj s VAL 17 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3inj s VAL 17 CO 0.40 0.51 0.05 0.49 0.00 0.00 0.00 175.10 176.54 3inj n PHE 18 N 3.24 0.00 -4.16 5.22 3.01 -1.26 -4.99 117.46 118.51 3inj n PHE 18 Ca -0.17 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.04 3inj n PHE 18 Cb 0.53 -0.03 -0.17 0.00 -0.01 0.00 0.00 39.48 39.80 3inj n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3inj n ASN 20 N 4.43 -0.31 -1.07 0.00 6.94 -1.26 -4.71 115.26 119.29 3inj n ASN 20 Ca -0.18 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 3inj n ASN 20 Cb 0.51 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 3inj n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3inj n GLN 21 N 0.01 2.32 -3.37 -3.83 6.02 -1.26 -1.33 117.38 115.93 3inj n GLN 21 Ca -0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.46 3inj n GLN 21 Cb 0.86 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 32.06 3inj n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3inj s ILE 22 N -0.43 5.09 -0.37 5.09 1.01 -0.06 -4.69 121.20 126.84 3inj s ILE 22 Ca 0.00 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.51 3inj s ILE 22 Cb 0.00 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.74 3inj s ILE 22 CO 0.00 0.44 0.17 0.12 0.00 0.00 0.00 174.94 175.66 3inj s PHE 23 N -0.13 3.30 -0.02 3.97 5.36 -0.16 0.11 117.98 130.41 3inj s PHE 23 Ca 0.25 -1.47 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 3inj s PHE 23 Cb -0.16 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 3inj s PHE 23 CO 0.12 -0.77 -0.02 0.42 -1.46 0.00 0.00 175.22 173.51 3inj s ILE 24 N 1.41 0.26 -1.48 3.12 1.01 -0.26 -0.25 121.20 125.01 3inj s ILE 24 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3inj s ILE 24 Cb -0.21 -0.29 0.07 0.00 0.01 0.00 0.00 42.46 42.04 3inj s ILE 24 CO 0.03 0.13 0.99 0.59 0.00 0.00 0.00 174.94 176.67 3inj n ASN 25 N 3.67 -4.63 -1.74 3.58 3.02 -1.26 -1.10 115.26 116.80 3inj n ASN 25 Ca -0.21 -0.75 -0.20 0.00 -0.03 0.00 0.00 54.58 53.39 3inj n ASN 25 Cb 0.54 -4.08 -0.07 0.00 -0.61 0.00 0.00 39.78 35.56 3inj n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3inj n ASN 26 N -2.89 -5.40 -4.29 6.41 5.03 -1.26 -4.67 115.26 108.20 3inj n ASN 26 Ca -0.00 0.41 -0.16 0.00 0.87 0.00 0.00 54.58 55.70 3inj n ASN 26 Cb 0.55 -4.73 -0.10 0.00 -1.02 0.00 0.00 39.78 34.48 3inj n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3inj s GLU 27 N -3.95 1.18 -0.17 3.52 2.02 -0.26 -5.03 118.70 116.00 3inj s GLU 27 Ca 0.00 -1.53 -0.08 0.00 0.02 0.00 0.00 54.97 53.39 3inj s GLU 27 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 3inj s GLU 27 CO 0.00 0.08 0.09 -1.58 0.02 0.00 0.00 175.26 173.87 3inj s TRP 28 N -3.24 3.35 0.11 1.61 0.52 -1.26 -1.10 118.94 118.93 3inj s TRP 28 Ca 0.20 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.64 3inj s TRP 28 Cb 0.02 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 3inj s TRP 28 CO 0.04 0.33 -0.20 -1.01 0.02 0.00 0.00 176.95 176.13 3inj s HIS 29 N -0.00 1.71 0.71 -1.98 3.76 0.12 -4.92 115.29 114.68 3inj s HIS 29 Ca 0.08 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.44 3inj s HIS 29 Cb -0.12 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.66 3inj s HIS 29 CO 0.00 0.20 1.08 -0.51 -0.85 0.00 0.00 174.74 174.66 3inj s ASP 30 N -1.99 5.39 0.68 1.40 -0.00 -1.26 -0.88 116.67 120.01 3inj s ASP 30 Ca 0.07 1.32 -0.16 0.00 -0.00 0.00 0.00 52.55 53.78 3inj s ASP 30 Cb -0.09 -2.18 0.01 0.00 -0.00 0.00 0.00 42.92 40.66 3inj s ASP 30 CO 0.04 -1.40 1.22 0.00 -0.00 0.00 0.00 175.17 175.04 3inj s ALA 31 N -3.22 2.27 0.52 5.23 0.00 -1.26 -4.85 121.76 120.45 3inj s ALA 31 Ca 0.58 0.97 0.19 0.00 0.00 0.00 0.00 51.96 53.69 3inj s ALA 31 Cb -0.12 -3.48 1.31 0.00 0.00 0.00 0.00 23.12 20.82 3inj s ALA 31 CO 0.53 -1.65 2.11 0.28 0.00 0.00 0.00 175.76 177.03 3inj h VAL 32 N 0.14 0.92 0.00 0.00 2.07 -1.96 0.01 116.25 117.44 3inj h VAL 32 Ca -0.49 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3inj h VAL 32 Cb 1.30 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3inj h VAL 32 CO 0.52 0.00 -0.38 -1.54 0.02 0.00 0.00 177.57 176.19 3inj n SER 33 N -4.49 0.54 0.00 0.57 3.41 -1.26 -4.93 113.62 107.46 3inj n SER 33 Ca 0.01 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3inj n SER 33 Cb 0.24 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3inj n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3inj n ARG 34 N -1.87 -0.70 -2.32 4.33 1.74 -0.01 -5.00 116.66 112.83 3inj n ARG 34 Ca 0.05 0.17 -0.34 0.00 -0.77 0.00 0.00 57.85 56.97 3inj n ARG 34 Cb 0.39 -3.80 -0.01 0.00 -1.02 0.00 0.00 32.46 28.02 3inj n ARG 34 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3inj s LYS 35 N -0.81 3.54 0.17 5.56 1.02 -1.26 -4.88 119.74 123.08 3inj s LYS 35 Ca 0.00 1.38 0.03 0.00 0.02 0.00 0.00 55.97 57.40 3inj s LYS 35 Cb 0.00 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 3inj s LYS 35 CO 0.00 -0.65 -0.04 0.95 -0.92 0.00 0.00 175.35 174.69 3inj s THR 36 N -2.07 0.97 0.06 2.17 -4.23 -1.26 -1.43 115.64 109.85 3inj s THR 36 Ca 0.67 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3inj s THR 36 Cb -0.18 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3inj s THR 36 CO 0.27 -0.56 -0.10 0.72 -0.54 0.00 0.00 174.62 174.40 3inj s PHE 37 N -3.46 0.90 0.17 3.99 -0.12 0.14 -4.82 117.98 114.79 3inj s PHE 37 Ca 0.22 -0.53 -0.20 0.00 -0.05 0.00 0.00 56.93 56.36 3inj s PHE 37 Cb 0.05 -0.52 -0.08 0.00 -0.63 0.00 0.00 43.02 41.84 3inj s PHE 37 CO 0.03 -0.03 0.67 -1.25 -0.05 0.00 0.00 175.22 174.59 3inj s PRO 38 N -1.94 4.25 -0.07 1.99 0.04 -1.26 0.28 135.00 138.29 3inj s PRO 38 Ca -0.04 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.85 3inj s PRO 38 Cb -0.08 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 3inj s PRO 38 CO 0.01 0.49 -0.13 -0.08 0.04 0.00 0.00 177.00 177.32 3inj s THR 39 N -1.36 3.11 0.09 1.26 -1.32 -1.07 -4.95 115.64 111.40 3inj s THR 39 Ca 0.38 -0.69 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 3inj s THR 39 Cb -0.18 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 3inj s THR 39 CO 0.21 0.57 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.46 3inj s VAL 40 N -0.42 3.73 -0.35 5.08 1.01 -1.26 -0.85 120.40 127.34 3inj s VAL 40 Ca 0.05 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 3inj s VAL 40 Cb -0.12 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.52 3inj s VAL 40 CO 0.02 0.13 1.08 0.21 0.00 0.00 0.00 175.10 176.54 3inj s ASN 41 N -2.22 6.85 0.35 3.32 3.04 -0.60 -4.75 114.94 120.93 3inj s ASN 41 Ca 0.24 0.90 0.27 0.00 0.04 0.00 0.00 52.86 54.30 3inj s ASN 41 Cb -0.11 -2.54 1.15 0.00 -1.54 0.00 0.00 41.25 38.21 3inj s ASN 41 CO 0.16 -0.95 1.80 1.55 -3.04 0.00 0.00 177.10 176.62 3inj h PRO 42 N 8.34 0.00 0.00 0.43 0.13 -1.82 0.67 132.00 139.75 3inj h PRO 42 Ca -0.21 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.73 3inj h PRO 42 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3inj h PRO 42 CO 1.05 0.00 -0.91 0.77 -0.23 0.00 0.00 178.00 178.68 3inj h SER 43 N 0.00 0.00 0.00 1.44 0.02 -1.90 -1.74 113.55 111.37 3inj h SER 43 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3inj h SER 43 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3inj h SER 43 CO 0.00 0.91 -1.19 0.35 -1.14 0.00 0.00 176.83 175.76 3inj n THR 44 N -3.39 0.13 -0.87 -2.27 -2.24 -1.00 -3.55 114.28 101.09 3inj n THR 44 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3inj n THR 44 Cb 0.88 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3inj n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inj n GLY 45 N 2.63 0.76 3.90 3.38 0.00 0.23 -4.23 105.19 111.85 3inj n GLY 45 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3inj n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3inj s GLU 46 N -0.13 3.65 0.20 1.61 0.41 -1.24 -4.84 118.70 118.35 3inj s GLU 46 Ca 0.00 -0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.25 3inj s GLU 46 Cb 0.00 -2.72 -0.08 0.00 -1.78 0.00 0.00 34.13 29.55 3inj s GLU 46 CO 0.00 0.32 1.20 0.08 -0.49 0.00 0.00 175.26 176.37 3inj s VAL 47 N -1.90 3.50 -0.12 2.63 1.01 -1.26 -1.56 120.40 122.70 3inj s VAL 47 Ca 0.43 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.51 3inj s VAL 47 Cb -0.11 -3.82 -0.17 0.00 0.00 0.00 0.00 36.38 32.28 3inj s VAL 47 CO 0.27 0.22 0.52 0.40 0.00 0.00 0.00 175.10 176.50 3inj h ILE 48 N 3.65 1.16 -2.06 2.22 2.04 -1.32 -3.46 117.51 119.74 3inj h ILE 48 Ca -0.45 -1.84 0.23 0.00 1.00 0.00 0.00 64.86 63.80 3inj h ILE 48 Cb 1.21 2.18 -0.09 0.00 -0.74 0.00 0.00 36.82 39.38 3inj h ILE 48 CO 0.74 0.39 0.61 0.00 0.00 0.00 0.00 178.15 179.89 3inj s GLN 50 N -2.89 3.84 0.03 0.00 -1.52 -1.26 -2.59 119.66 115.27 3inj s GLN 50 Ca 0.14 0.33 0.05 0.00 -1.95 0.00 0.00 55.36 53.94 3inj s GLN 50 Cb 0.01 -2.64 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 3inj s GLN 50 CO 0.01 0.31 -0.16 0.08 -0.25 0.00 0.00 175.29 175.27 3inj s VAL 51 N -1.81 1.27 0.02 1.09 1.01 0.14 -4.89 120.40 117.23 3inj s VAL 51 Ca 0.48 -0.96 -0.35 0.00 0.00 0.00 0.00 61.98 61.14 3inj s VAL 51 Cb -0.11 -1.12 -0.14 0.00 0.00 0.00 0.00 36.38 35.01 3inj s VAL 51 CO 0.21 0.14 1.62 0.00 0.00 0.00 0.00 175.10 177.07 3inj n ALA 52 N 2.09 0.50 -3.18 5.51 0.00 -0.44 -0.68 120.51 124.32 3inj n ALA 52 Ca -0.17 0.41 -0.46 0.00 0.00 0.00 0.00 53.44 53.23 3inj n ALA 52 Cb 0.54 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3inj n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3inj s GLU 53 N 1.96 3.37 0.45 0.00 2.12 -0.51 -4.39 118.70 121.69 3inj s GLU 53 Ca 0.86 -1.90 -0.22 0.00 0.36 0.00 0.00 54.97 54.08 3inj s GLU 53 Cb -0.80 -4.47 -0.09 0.00 0.26 0.00 0.00 34.13 29.04 3inj s GLU 53 CO 0.47 -1.47 1.03 0.20 -0.54 0.00 0.00 175.26 174.95 3inj s GLY 54 N 3.06 2.56 0.00 -1.50 0.00 -0.56 -4.72 107.32 106.17 3inj s GLY 54 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.49 3inj s GLY 54 CO -0.03 0.95 0.00 1.34 0.00 0.00 0.00 173.10 175.35 3inj n ASP 55 N -0.63 0.23 -0.24 1.64 -0.08 -1.26 -4.20 116.55 112.01 3inj n ASP 55 Ca 0.08 -0.84 0.04 0.00 -1.51 0.00 0.00 54.79 52.56 3inj n ASP 55 Cb 0.52 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.14 3inj n ASP 55 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3inj h LYS 56 N 0.00 0.20 -0.71 -0.67 3.64 -1.91 -0.43 116.57 116.70 3inj h LYS 56 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3inj h LYS 56 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3inj h LYS 56 CO 0.00 0.13 0.34 0.93 -2.27 0.00 0.00 179.45 178.58 3inj h GLU 57 N 0.21 1.00 -0.15 1.90 5.08 -1.98 0.58 114.58 121.23 3inj h GLU 57 Ca 0.39 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3inj h GLU 57 Cb 0.66 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3inj h GLU 57 CO -0.53 0.78 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.61 3inj h ASP 58 N 1.00 0.44 -0.87 1.42 3.32 -1.70 -2.35 116.42 117.68 3inj h ASP 58 Ca 0.24 -0.51 0.11 0.00 0.02 0.00 0.00 57.03 56.89 3inj h ASP 58 Cb 0.11 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3inj h ASP 58 CO -0.03 0.87 0.56 0.58 -1.72 0.00 0.00 179.24 179.50 3inj h VAL 59 N 0.03 0.93 -0.67 -1.35 2.07 -0.77 -1.10 116.25 115.39 3inj h VAL 59 Ca 0.02 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3inj h VAL 59 Cb 0.76 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3inj h VAL 59 CO 0.05 0.15 0.36 0.44 0.02 0.00 0.00 177.57 178.58 3inj h ASP 60 N 0.80 0.84 -0.40 0.57 3.32 -0.61 -0.17 116.42 120.77 3inj h ASP 60 Ca 0.41 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3inj h ASP 60 Cb 0.50 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3inj h ASP 60 CO -0.18 0.70 0.21 0.11 -1.72 0.00 0.00 179.24 178.36 3inj h LYS 61 N 0.91 0.57 -0.65 3.56 1.57 -0.72 -2.28 116.57 119.53 3inj h LYS 61 Ca 0.23 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3inj h LYS 61 Cb 0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3inj h LYS 61 CO -0.04 0.48 0.28 0.00 -0.57 0.00 0.00 179.45 179.60 3inj h ALA 62 N 1.06 0.85 -0.67 3.86 0.00 -0.87 -1.08 119.26 122.40 3inj h ALA 62 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3inj h ALA 62 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3inj h ALA 62 CO -0.02 0.45 0.29 0.28 0.00 0.00 0.00 179.25 180.25 3inj h VAL 63 N 0.92 1.24 -0.55 0.00 2.07 -0.94 -0.62 116.25 118.37 3inj h VAL 63 Ca 0.22 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3inj h VAL 63 Cb 0.18 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3inj h VAL 63 CO -0.02 0.29 -0.03 0.11 0.02 0.00 0.00 177.57 177.94 3inj h LYS 64 N 0.95 0.97 -0.48 1.57 1.57 -1.17 0.59 116.57 120.57 3inj h LYS 64 Ca 0.23 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3inj h LYS 64 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3inj h LYS 64 CO -0.02 0.97 0.16 0.00 -0.57 0.00 0.00 179.45 179.98 3inj h ALA 65 N 1.07 0.63 -0.41 3.86 0.00 -0.89 -1.11 119.26 122.41 3inj h ALA 65 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3inj h ALA 65 Cb 0.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3inj h ALA 65 CO 0.03 0.27 0.05 0.00 0.00 0.00 0.00 179.25 179.61 3inj h ALA 66 N 1.01 0.55 -0.86 0.00 0.00 -0.95 -2.20 119.26 116.81 3inj h ALA 66 Ca 0.16 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3inj h ALA 66 Cb 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3inj h ALA 66 CO -0.01 0.28 0.55 -0.09 0.00 0.00 0.00 179.25 179.98 3inj h ARG 67 N 0.54 1.03 -0.56 0.00 9.65 -0.67 -1.32 114.38 123.04 3inj h ARG 67 Ca 0.12 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3inj h ARG 67 Cb 0.40 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 3inj h ARG 67 CO 0.01 0.68 0.33 0.00 2.80 0.00 0.00 179.97 183.79 3inj h ALA 68 N 1.36 0.72 0.00 2.80 0.00 -1.05 -1.80 119.26 121.29 3inj h ALA 68 Ca 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3inj h ALA 68 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3inj h ALA 68 CO -0.13 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 3inj h ALA 69 N 1.16 1.29 -0.01 0.00 0.00 -0.70 -2.46 119.26 118.53 3inj h ALA 69 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3inj h ALA 69 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3inj h ALA 69 CO -0.04 0.14 -0.07 0.34 0.00 0.00 0.00 179.25 179.62 3inj n PHE 70 N -3.65 0.00 -1.98 0.00 7.35 -0.58 -4.44 117.46 114.17 3inj n PHE 70 Ca -0.02 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.26 3inj n PHE 70 Cb 0.23 -0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 3inj n PHE 70 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3inj s GLN 71 N -2.13 4.25 0.10 -4.13 -1.52 -0.93 -4.88 119.66 110.41 3inj s GLN 71 Ca 0.34 2.34 -0.36 0.00 -1.95 0.00 0.00 55.36 55.73 3inj s GLN 71 Cb 0.20 -3.10 -0.17 0.00 -0.22 0.00 0.00 33.01 29.73 3inj s GLN 71 CO 0.38 -0.45 1.14 -0.11 -0.25 0.00 0.00 175.29 176.00 3inj n LEU 72 N 2.27 0.89 0.00 2.90 7.94 -1.26 -0.71 117.00 129.03 3inj n LEU 72 Ca 0.07 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3inj n LEU 72 Cb 0.40 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3inj n LEU 72 CO 0.61 -1.53 0.00 0.61 -1.11 0.00 0.00 177.39 175.97 3inj n GLY 73 N 2.03 0.81 3.78 -3.96 0.00 -1.26 -5.05 105.19 101.54 3inj n GLY 73 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3inj n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 74 N -2.92 4.51 0.26 1.61 1.04 0.11 -4.81 113.70 113.50 3inj s SER 74 Ca 0.00 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.00 3inj s SER 74 Cb 0.00 -2.33 0.51 0.00 0.10 0.00 0.00 66.02 64.31 3inj s SER 74 CO 0.00 -2.00 1.77 -0.65 0.98 0.00 0.00 173.24 173.35 3inj h PRO 75 N -1.10 0.65 -0.26 4.02 0.11 -1.89 -0.57 132.00 132.96 3inj h PRO 75 Ca -0.46 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3inj h PRO 75 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3inj h PRO 75 CO 0.55 0.43 -0.43 2.35 -0.21 0.00 0.00 178.00 180.69 3inj h TRP 76 N 0.67 0.78 -0.01 0.65 2.91 -1.93 -1.68 115.95 117.34 3inj h TRP 76 Ca 0.46 -0.24 -0.19 0.00 1.13 0.00 0.00 58.89 60.04 3inj h TRP 76 Cb 0.60 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 3inj h TRP 76 CO -0.08 0.97 -0.84 0.00 -1.03 0.00 0.00 178.44 177.46 3inj h ARG 77 N 0.53 0.25 0.00 2.65 2.47 -1.67 -3.29 114.38 115.32 3inj h ARG 77 Ca 0.04 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.40 3inj h ARG 77 Cb 0.96 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 3inj h ARG 77 CO 0.09 0.96 -0.69 0.00 0.56 0.00 0.00 179.97 180.88 3inj h ARG 78 N 0.15 0.00 -6.45 0.04 3.08 -1.07 -3.47 114.38 106.67 3inj h ARG 78 Ca -0.04 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.39 3inj h ARG 78 Cb 1.45 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.58 3inj h ARG 78 CO 0.13 0.37 0.40 -0.12 -1.07 0.00 0.00 179.97 179.68 3inj n MET 79 N -3.10 1.53 -1.70 0.04 1.56 -0.64 -4.90 117.12 109.91 3inj n MET 79 Ca -0.01 0.54 -0.43 0.00 -0.27 0.00 0.00 57.70 57.54 3inj n MET 79 Cb 0.73 -2.10 -0.01 0.00 2.15 0.00 0.00 33.22 33.99 3inj n MET 79 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3inj n ASP 80 N 2.00 2.98 -0.29 6.12 8.00 -1.26 -4.88 116.55 129.22 3inj n ASP 80 Ca 0.13 1.18 0.05 0.00 0.71 0.00 0.00 54.79 56.86 3inj n ASP 80 Cb 0.28 -1.49 0.19 0.00 -0.02 0.00 0.00 41.12 40.08 3inj n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3inj h ALA 81 N 3.43 1.19 -0.31 2.24 0.00 -1.90 0.82 119.26 124.73 3inj h ALA 81 Ca -0.46 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3inj h ALA 81 Cb 1.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3inj h ALA 81 CO 0.69 -0.01 0.20 0.66 0.00 0.00 0.00 179.25 180.80 3inj h SER 82 N 0.69 0.30 0.69 0.00 4.64 -1.90 -1.50 113.55 116.47 3inj h SER 82 Ca 0.42 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.61 3inj h SER 82 Cb 0.49 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3inj h SER 82 CO -0.30 0.21 -0.61 -0.74 -0.87 0.00 0.00 176.83 174.52 3inj h HIS 83 N 0.36 0.00 -0.62 4.77 6.17 -1.20 -1.42 115.15 123.20 3inj h HIS 83 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 3inj h HIS 83 Cb 0.05 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.95 3inj h HIS 83 CO -0.00 0.61 0.30 0.00 0.71 0.00 0.00 177.93 179.55 3inj h ARG 84 N 0.00 0.87 -0.40 5.26 3.08 -0.74 -0.49 114.38 121.97 3inj h ARG 84 Ca -0.01 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 3inj h ARG 84 Cb 1.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3inj h ARG 84 CO 0.08 0.67 -0.22 0.78 -1.07 0.00 0.00 179.97 180.21 3inj h GLY 85 N 0.95 0.86 0.93 0.04 0.00 -1.13 -0.91 103.07 103.81 3inj h GLY 85 Ca 0.22 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.83 3inj h GLY 85 CO -0.03 0.67 0.35 3.21 0.00 0.00 0.00 176.54 180.74 3inj h ARG 86 N 0.69 0.68 -0.51 4.80 2.47 -0.61 -1.69 114.38 120.22 3inj h ARG 86 Ca 0.10 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.65 3inj h ARG 86 Cb 0.73 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 3inj h ARG 86 CO 0.06 0.45 -0.15 -0.07 0.56 0.00 0.00 179.97 180.82 3inj h LEU 87 N 0.71 1.02 -0.81 3.04 3.38 -0.79 -1.66 115.31 120.19 3inj h LEU 87 Ca 0.22 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3inj h LEU 87 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3inj h LEU 87 CO -0.08 1.16 0.45 -0.07 0.09 0.00 0.00 178.44 179.99 3inj h LEU 88 N 0.87 1.02 -1.09 1.67 3.38 -1.07 -1.39 115.31 118.69 3inj h LEU 88 Ca 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3inj h LEU 88 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3inj h LEU 88 CO 0.06 0.82 -0.05 0.78 0.09 0.00 0.00 178.44 180.14 3inj h ASN 89 N 1.13 0.56 -0.45 -0.43 2.35 -1.10 -1.34 115.58 116.30 3inj h ASN 89 Ca 0.29 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3inj h ASN 89 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3inj h ASN 89 CO -0.05 0.66 -0.26 -0.09 -1.65 0.00 0.00 177.43 176.05 3inj h ARG 90 N 0.55 0.98 -0.49 0.81 9.65 -1.07 -0.92 114.38 123.88 3inj h ARG 90 Ca 0.11 -0.44 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3inj h ARG 90 Cb 0.43 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 3inj h ARG 90 CO 0.02 1.11 0.28 1.25 2.80 0.00 0.00 179.97 185.43 3inj h LEU 91 N 0.83 0.61 -0.74 3.80 5.85 -0.83 -1.22 115.31 123.60 3inj h LEU 91 Ca 0.10 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3inj h LEU 91 Cb 0.84 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3inj h LEU 91 CO 0.07 0.52 0.43 0.00 -0.34 0.00 0.00 178.44 179.12 3inj h ALA 92 N 1.12 0.95 -0.28 1.25 0.00 -1.09 -0.89 119.26 120.32 3inj h ALA 92 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3inj h ALA 92 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3inj h ALA 92 CO -0.03 0.44 0.11 -0.44 0.00 0.00 0.00 179.25 179.33 3inj h ASP 93 N 1.02 0.13 -0.68 0.00 3.32 -0.82 0.15 116.42 119.54 3inj h ASP 93 Ca 0.26 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3inj h ASP 93 Cb -0.00 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3inj h ASP 93 CO -0.05 0.11 0.21 -0.07 -1.72 0.00 0.00 179.24 177.73 3inj h LEU 94 N 0.24 1.01 -0.74 1.55 3.38 -0.98 0.27 115.31 120.04 3inj h LEU 94 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3inj h LEU 94 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3inj h LEU 94 CO -0.12 0.94 0.30 0.40 0.09 0.00 0.00 178.44 180.05 3inj h ILE 95 N 1.03 1.25 -0.22 1.22 2.04 -0.77 -2.05 117.51 120.01 3inj h ILE 95 Ca 0.23 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3inj h ILE 95 Cb 0.30 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3inj h ILE 95 CO -0.01 0.32 0.11 -0.08 0.00 0.00 0.00 178.15 178.50 3inj h GLU 96 N 1.06 0.32 -1.02 2.37 4.81 -0.48 0.15 114.58 121.79 3inj h GLU 96 Ca 0.25 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.71 3inj h GLU 96 Cb 0.21 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.40 3inj h GLU 96 CO -0.02 0.32 0.61 -0.09 -0.73 0.00 0.00 179.01 179.09 3inj h ARG 97 N 0.24 0.47 -0.35 1.92 2.43 -0.65 -0.60 114.38 117.84 3inj h ARG 97 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3inj h ARG 97 Cb 0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3inj h ARG 97 CO -0.01 0.31 0.00 -0.25 -1.51 0.00 0.00 179.97 178.51 3inj n ASP 98 N -4.89 4.27 -0.19 -3.80 8.00 -0.80 -4.74 116.55 114.40 3inj n ASP 98 Ca 0.28 -2.93 -0.02 0.00 0.71 0.00 0.00 54.79 52.84 3inj n ASP 98 Cb 0.84 -0.56 0.08 0.00 -0.02 0.00 0.00 41.12 41.46 3inj n ASP 98 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3inj h ARG 99 N 2.38 0.49 -0.63 -1.24 2.43 0.94 -0.66 114.38 118.08 3inj h ARG 99 Ca 0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3inj h ARG 99 Cb 1.53 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 3inj h ARG 99 CO 0.27 0.32 0.14 1.15 -1.51 0.00 0.00 179.97 180.34 3inj h THR 100 N 0.50 1.26 -0.11 0.20 2.02 -1.85 -0.13 112.91 114.80 3inj h THR 100 Ca 0.27 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3inj h THR 100 Cb 0.25 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3inj h THR 100 CO -0.22 0.36 -0.00 0.22 0.37 0.00 0.00 175.52 176.24 3inj h TYR 101 N 0.93 0.21 -0.85 3.16 3.20 -1.84 -2.69 116.97 119.09 3inj h TYR 101 Ca 0.19 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3inj h TYR 101 Cb 0.38 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3inj h TYR 101 CO 0.03 0.44 0.49 -0.07 -1.64 0.00 0.00 178.16 177.41 3inj h LEU 102 N -0.09 1.03 -0.79 2.82 3.38 -0.95 -0.14 115.31 120.57 3inj h LEU 102 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3inj h LEU 102 Cb 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3inj h LEU 102 CO 0.01 0.81 0.51 0.00 0.09 0.00 0.00 178.44 179.86 3inj h ALA 103 N 1.27 1.01 -0.28 1.53 0.00 -1.03 0.11 119.26 121.86 3inj h ALA 103 Ca 0.30 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3inj h ALA 103 Cb -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3inj h ALA 103 CO -0.05 0.43 -0.27 0.00 0.00 0.00 0.00 179.25 179.36 3inj h ALA 104 N 1.28 0.41 -0.77 0.00 0.00 -1.11 -1.38 119.26 117.69 3inj h ALA 104 Ca 0.29 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3inj h ALA 104 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3inj h ALA 104 CO -0.06 0.40 0.28 1.25 0.00 0.00 0.00 179.25 181.13 3inj h LEU 105 N 0.40 1.08 -0.25 0.00 5.85 -0.82 0.11 115.31 121.68 3inj h LEU 105 Ca 0.05 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3inj h LEU 105 Cb 0.83 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3inj h LEU 105 CO 0.07 0.97 0.10 -0.08 -0.34 0.00 0.00 178.44 179.15 3inj h GLU 106 N 1.13 0.21 -0.58 1.25 4.57 -0.72 -1.87 114.58 118.58 3inj h GLU 106 Ca 0.25 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 3inj h GLU 106 Cb 0.25 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3inj h GLU 106 CO -0.02 0.14 0.25 1.15 -1.18 0.00 0.00 179.01 179.35 3inj h THR 107 N 0.22 1.20 -0.36 0.32 2.02 -0.64 -0.54 112.91 115.13 3inj h THR 107 Ca 0.11 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3inj h THR 107 Cb 0.07 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3inj h THR 107 CO -0.10 0.24 0.05 0.25 0.37 0.00 0.00 175.52 176.33 3inj h LEU 108 N 0.82 0.58 0.00 2.58 5.85 -0.29 -0.79 115.31 124.07 3inj h LEU 108 Ca 0.20 -0.27 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 3inj h LEU 108 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3inj h LEU 108 CO -0.02 0.70 -1.21 -0.78 -0.34 0.00 0.00 178.44 176.79 3inj h ASP 109 N 0.44 0.00 0.00 1.25 3.58 -1.26 -3.38 116.42 117.05 3inj h ASP 109 Ca 0.11 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.24 3inj h ASP 109 Cb 0.38 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.37 3inj h ASP 109 CO 0.01 0.80 -2.21 -3.20 -2.88 0.00 0.00 179.24 171.76 3inj n ASN 110 N -3.12 2.15 0.00 2.28 2.85 -0.22 -4.60 115.26 114.59 3inj n ASN 110 Ca -0.07 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 3inj n ASN 110 Cb 0.91 -0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.75 3inj n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3inj n GLY 111 N 2.41 1.49 3.77 8.20 0.00 -0.31 -4.47 105.19 116.28 3inj n GLY 111 Ca -0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 3inj n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inj s LYS 112 N -0.75 3.38 0.31 1.61 -2.85 -1.26 -3.76 119.74 116.42 3inj s LYS 112 Ca 0.00 1.79 -0.30 0.00 -1.00 0.00 0.00 55.97 56.46 3inj s LYS 112 Cb 0.00 -2.15 -0.12 0.00 -2.06 0.00 0.00 37.83 33.50 3inj s LYS 112 CO 0.00 -0.87 1.54 -2.30 0.10 0.00 0.00 175.35 173.82 3inj n PRO 113 N -1.06 2.59 -0.36 1.78 -0.02 -1.26 -4.52 135.00 132.15 3inj n PRO 113 Ca 0.10 0.92 0.05 0.00 -2.02 0.00 0.00 63.50 62.55 3inj n PRO 113 Cb 0.49 -2.67 0.21 0.00 -0.02 0.00 0.00 33.50 31.51 3inj n PRO 113 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3inj h TYR 114 N 4.23 1.17 -0.74 6.00 3.20 -0.75 -0.83 116.97 129.26 3inj h TYR 114 Ca -0.47 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.53 3inj h TYR 114 Cb 1.24 -0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.05 3inj h TYR 114 CO 0.57 0.55 0.36 0.28 -1.64 0.00 0.00 178.16 178.27 3inj h VAL 115 N 1.09 0.81 -0.17 1.81 2.07 -1.90 0.65 116.25 120.61 3inj h VAL 115 Ca 0.46 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.69 3inj h VAL 115 Cb 0.31 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3inj h VAL 115 CO -0.21 0.11 -0.24 0.40 0.02 0.00 0.00 177.57 177.65 3inj h ILE 116 N 0.60 1.34 -0.72 4.57 1.08 -1.57 -0.46 117.51 122.35 3inj h ILE 116 Ca 0.37 -1.44 0.12 0.00 -0.39 0.00 0.00 64.86 63.52 3inj h ILE 116 Cb 0.43 1.87 -0.09 0.00 -3.07 0.00 0.00 36.82 35.97 3inj h ILE 116 CO -0.30 0.43 0.29 0.28 -0.69 0.00 0.00 178.15 178.17 3inj h SER 117 N 0.11 0.30 0.03 1.72 0.02 -0.81 0.22 113.55 115.14 3inj h SER 117 Ca 0.02 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3inj h SER 117 Cb 0.80 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3inj h SER 117 CO 0.06 0.14 -0.01 0.22 -1.14 0.00 0.00 176.83 176.09 3inj h TYR 118 N 0.47 -0.03 0.02 3.45 3.20 -0.73 -0.24 116.97 123.10 3inj h TYR 118 Ca 0.38 -0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.99 3inj h TYR 118 Cb 0.53 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3inj h TYR 118 CO -0.16 0.53 -1.39 -0.07 -1.64 0.00 0.00 178.16 175.43 3inj h LEU 119 N -0.62 0.05 0.00 2.82 3.38 -0.96 -3.32 115.31 116.67 3inj h LEU 119 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3inj h LEU 119 Cb 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3inj h LEU 119 CO 0.01 1.06 0.00 0.52 0.09 0.00 0.00 178.44 180.12 3inj n VAL 120 N -3.23 0.00 0.11 1.22 0.31 0.72 -4.34 118.33 113.13 3inj n VAL 120 Ca -0.10 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.35 3inj n VAL 120 Cb 1.00 -1.24 -0.07 0.00 -0.91 0.00 0.00 33.84 32.62 3inj n VAL 120 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3inj h ASP 121 N 0.00 -1.21 0.48 4.52 3.32 -1.39 -0.49 116.42 121.66 3inj h ASP 121 Ca 0.00 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3inj h ASP 121 Cb 0.00 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3inj h ASP 121 CO 0.00 -0.48 -0.38 -0.07 -1.72 0.00 0.00 179.24 176.59 3inj h LEU 122 N -0.64 0.00 -0.33 1.55 4.07 -1.18 -0.73 115.31 118.04 3inj h LEU 122 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 3inj h LEU 122 Cb 0.67 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3inj h LEU 122 CO -0.24 0.38 0.12 -0.78 -1.08 0.00 0.00 178.44 176.84 3inj h ASP 123 N 0.00 0.46 0.15 -0.43 3.58 -1.56 -2.23 116.42 116.39 3inj h ASP 123 Ca -0.00 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.17 3inj h ASP 123 Cb 0.72 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 3inj h ASP 123 CO 0.05 0.52 -0.34 0.24 -2.88 0.00 0.00 179.24 176.83 3inj h MET 124 N 0.38 0.28 -0.30 0.28 2.86 -0.54 -0.67 114.93 117.21 3inj h MET 124 Ca 0.11 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3inj h MET 124 Cb 0.20 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3inj h MET 124 CO -0.01 0.59 0.11 0.28 1.06 0.00 0.00 176.91 178.95 3inj h VAL 125 N 0.24 1.18 -0.34 -2.22 2.07 -1.04 0.82 116.25 116.96 3inj h VAL 125 Ca 0.03 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3inj h VAL 125 Cb 0.72 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3inj h VAL 125 CO 0.05 0.19 0.14 -0.07 0.02 0.00 0.00 177.57 177.91 3inj h LEU 126 N 0.33 0.48 -0.72 2.57 3.38 -1.14 -1.99 115.31 118.22 3inj h LEU 126 Ca 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3inj h LEU 126 Cb 0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3inj h LEU 126 CO -0.01 0.51 0.24 0.11 0.09 0.00 0.00 178.44 179.38 3inj h LYS 127 N 0.41 1.11 0.31 1.13 1.57 -0.98 -1.32 116.57 118.80 3inj h LYS 127 Ca 0.12 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3inj h LYS 127 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3inj h LYS 127 CO -0.01 0.94 -0.15 0.00 -0.57 0.00 0.00 179.45 179.66 3inj h LEU 129 N -0.47 1.07 -0.74 0.00 3.38 -1.27 -1.21 115.31 116.06 3inj h LEU 129 Ca -0.04 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3inj h LEU 129 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3inj h LEU 129 CO 0.07 0.95 -0.54 0.03 0.09 0.00 0.00 178.44 179.04 3inj h ARG 130 N 1.14 0.00 0.18 1.13 3.08 -1.24 -0.14 114.38 118.53 3inj h ARG 130 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3inj h ARG 130 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3inj h ARG 130 CO -0.02 0.54 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.41 3inj h TYR 131 N 0.00 -0.22 0.00 3.04 3.20 -0.43 -3.12 116.97 119.44 3inj h TYR 131 Ca -0.01 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3inj h TYR 131 Cb 1.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3inj h TYR 131 CO 0.00 0.07 -0.48 1.88 -1.64 0.00 0.00 178.16 177.99 3inj h TYR 132 N -0.51 0.00 -1.00 -3.82 -1.99 -1.14 -2.05 116.97 106.46 3inj h TYR 132 Ca -0.02 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.86 3inj h TYR 132 Cb 0.39 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.03 3inj h TYR 132 CO 0.01 0.48 0.62 0.00 -0.00 0.00 0.00 178.16 179.27 3inj h ALA 133 N 1.52 1.63 0.00 3.88 0.00 -1.04 -0.80 119.26 124.45 3inj h ALA 133 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3inj h ALA 133 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3inj h ALA 133 CO 0.06 0.06 -0.37 0.78 0.00 0.00 0.00 179.25 179.78 3inj h GLY 134 N 0.85 0.00 2.00 0.00 0.00 -1.30 -3.02 103.07 101.60 3inj h GLY 134 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3inj h GLY 134 CO -0.32 0.00 0.00 1.49 0.00 0.00 0.00 176.54 177.71 3inj h TRP 135 N 0.00 0.00 -1.00 5.60 -0.00 -1.12 -3.38 115.95 116.05 3inj h TRP 135 Ca -0.00 0.00 0.26 0.00 -0.00 0.00 0.00 58.89 59.15 3inj h TRP 135 Cb 0.71 0.00 -0.13 0.00 -0.00 0.00 0.00 29.16 29.74 3inj h TRP 135 CO 0.00 0.00 0.59 0.00 -0.00 0.00 0.00 178.44 179.03 3inj h ALA 136 N 2.08 1.83 -0.12 1.49 0.00 -1.38 -1.10 119.26 122.06 3inj h ALA 136 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3inj h ALA 136 Cb 0.73 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3inj h ALA 136 CO 0.00 -0.34 -0.27 -0.40 0.00 0.00 0.00 179.25 178.24 3inj n ASP 137 N -4.92 2.16 0.00 0.00 3.85 -1.26 -4.66 116.55 111.72 3inj n ASP 137 Ca 0.28 -3.70 0.00 0.00 -0.71 0.00 0.00 54.79 50.66 3inj n ASP 137 Cb 0.80 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 3inj n ASP 137 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3inj n LYS 138 N -1.13 0.27 -2.61 0.11 5.02 -0.42 -4.92 118.16 114.48 3inj n LYS 138 Ca 0.23 -0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 55.59 3inj n LYS 138 Cb 0.80 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 3inj n LYS 138 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3inj n TYR 139 N -0.08 3.24 -1.94 2.13 9.36 -1.23 -5.00 117.16 123.63 3inj n TYR 139 Ca 0.00 -2.89 -0.37 0.00 3.32 0.00 0.00 57.90 57.95 3inj n TYR 139 Cb 0.25 -1.84 0.03 0.00 -0.63 0.00 0.00 39.34 37.15 3inj n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3inj s HIS 140 N -0.12 2.41 0.00 2.98 3.76 -1.26 -4.83 115.29 118.23 3inj s HIS 140 Ca 0.38 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 3inj s HIS 140 Cb 0.06 -3.61 0.00 0.00 1.11 0.00 0.00 32.58 30.14 3inj s HIS 140 CO 0.02 -2.42 0.00 0.41 -0.85 0.00 0.00 174.74 171.90 3inj n GLY 141 N 0.62 -0.89 3.35 -2.22 0.00 -1.26 -4.92 105.19 99.87 3inj n GLY 141 Ca 0.11 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 3inj n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inj s LYS 142 N -2.15 1.32 -0.15 1.61 1.02 -1.23 -4.94 119.74 115.21 3inj s LYS 142 Ca 0.00 -1.41 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 3inj s LYS 142 Cb 0.00 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 3inj s LYS 142 CO 0.00 0.30 0.00 0.95 -0.92 0.00 0.00 175.35 175.69 3inj s THR 143 N -1.88 4.28 -0.11 2.17 -4.23 -1.26 -0.92 115.64 113.69 3inj s THR 143 Ca 0.16 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 3inj s THR 143 Cb -0.07 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.90 3inj s THR 143 CO 0.07 0.50 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.85 3inj s ILE 144 N 0.15 1.67 -1.48 2.99 1.01 0.44 -5.00 121.20 120.99 3inj s ILE 144 Ca 0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 3inj s ILE 144 Cb -0.13 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 3inj s ILE 144 CO 0.02 0.47 2.86 -0.81 0.00 0.00 0.00 174.94 177.48 3inj n PRO 145 N 4.09 3.84 -1.28 2.79 -0.05 -1.26 -3.97 135.00 139.16 3inj n PRO 145 Ca -0.19 -2.45 -0.34 0.00 -0.05 0.00 0.00 63.50 60.46 3inj n PRO 145 Cb 0.51 -2.72 0.11 0.00 -0.05 0.00 0.00 33.50 31.35 3inj n PRO 145 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 175.50 173.95 3inj s ILE 146 N 1.28 2.13 0.72 0.52 2.07 -1.26 -4.98 121.20 121.68 3inj s ILE 146 Ca 0.66 0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.81 3inj s ILE 146 Cb 0.19 -2.58 0.04 0.00 0.13 0.00 0.00 42.46 40.23 3inj s ILE 146 CO -0.07 -0.04 1.20 -1.81 -1.91 0.00 0.00 174.94 172.32 3inj s ASP 147 N -2.05 4.26 0.00 4.50 1.01 -1.26 -4.81 116.67 118.32 3inj s ASP 147 Ca 0.74 2.34 0.00 0.00 0.71 0.00 0.00 52.55 56.35 3inj s ASP 147 Cb -0.30 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.05 3inj s ASP 147 CO 0.48 -2.22 0.00 0.61 0.21 0.00 0.00 175.17 174.25 3inj n GLY 148 N 0.36 -0.57 2.76 0.21 0.00 -1.26 -4.53 105.19 102.17 3inj n GLY 148 Ca 0.13 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3inj n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3inj n ASP 149 N -0.74 4.60 -4.07 1.61 8.00 -1.26 -4.67 116.55 120.02 3inj n ASP 149 Ca 0.00 -2.95 -0.12 0.00 0.71 0.00 0.00 54.79 52.43 3inj n ASP 149 Cb 0.00 -1.58 -0.11 0.00 -0.02 0.00 0.00 41.12 39.41 3inj n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3inj s PHE 150 N 1.92 0.66 -0.26 1.24 0.40 -1.26 -1.13 117.98 119.55 3inj s PHE 150 Ca 0.45 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 56.15 3inj s PHE 150 Cb 0.12 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.26 3inj s PHE 150 CO -0.05 -0.11 0.01 0.12 0.70 0.00 0.00 175.22 175.89 3inj s PHE 151 N -1.81 3.07 -0.06 0.36 5.36 0.54 -4.82 117.98 120.63 3inj s PHE 151 Ca -0.07 -1.06 0.06 0.00 -0.96 0.00 0.00 56.93 54.90 3inj s PHE 151 Cb -0.07 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.43 3inj s PHE 151 CO -0.01 -0.59 -0.25 0.45 -1.46 0.00 0.00 175.22 173.37 3inj s SER 152 N 1.46 3.06 0.21 6.13 0.15 -1.25 -0.81 113.70 122.65 3inj s SER 152 Ca 0.03 -0.51 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 3inj s SER 152 Cb -0.16 -0.89 -0.02 0.00 -1.71 0.00 0.00 66.02 63.23 3inj s SER 152 CO -0.01 0.24 0.28 -0.72 1.20 0.00 0.00 173.24 174.23 3inj s TYR 153 N -0.11 0.76 0.08 3.44 -0.85 -0.28 -0.42 117.35 119.96 3inj s TYR 153 Ca -0.05 -1.05 0.10 0.00 -0.52 0.00 0.00 57.07 55.54 3inj s TYR 153 Cb -0.14 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 3inj s TYR 153 CO 0.04 -0.79 -0.26 0.95 -1.52 0.00 0.00 175.55 173.97 3inj s THR 154 N -4.08 2.24 -0.14 -3.49 -4.23 -0.09 -0.01 115.64 105.84 3inj s THR 154 Ca 0.30 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3inj s THR 154 Cb 0.04 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 3inj s THR 154 CO 0.09 0.27 0.01 -0.13 -0.54 0.00 0.00 174.62 174.32 3inj s ARG 155 N -1.55 3.52 -0.57 3.99 0.52 0.78 -3.57 118.95 122.06 3inj s ARG 155 Ca 0.13 -0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 54.74 3inj s ARG 155 Cb -0.10 -2.97 0.10 0.00 0.52 0.00 0.00 34.95 32.51 3inj s ARG 155 CO 0.04 0.43 0.65 -1.01 0.02 0.00 0.00 175.30 175.43 3inj s HIS 156 N -0.11 3.05 0.31 -0.53 3.76 -1.26 -1.57 115.29 118.95 3inj s HIS 156 Ca 0.04 -0.99 0.07 0.00 -0.15 0.00 0.00 55.06 54.03 3inj s HIS 156 Cb -0.13 -3.92 -0.02 0.00 1.11 0.00 0.00 32.58 29.63 3inj s HIS 156 CO 0.02 -1.21 0.38 -1.21 -0.85 0.00 0.00 174.74 171.86 3inj s GLU 157 N 2.46 3.03 0.46 1.40 2.02 -0.11 -4.92 118.70 123.04 3inj s GLU 157 Ca 0.10 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.79 3inj s GLU 157 Cb -0.25 -2.70 -0.07 0.00 0.10 0.00 0.00 34.13 31.20 3inj s GLU 157 CO 0.06 0.15 1.16 -2.14 0.02 0.00 0.00 175.26 174.51 3inj s PRO 158 N -4.06 3.76 0.38 0.39 0.02 -1.26 0.11 135.00 134.34 3inj s PRO 158 Ca 0.41 1.76 0.08 0.00 0.02 0.00 0.00 61.00 63.27 3inj s PRO 158 Cb -0.08 -2.40 0.75 0.00 0.02 0.00 0.00 34.50 32.79 3inj s PRO 158 CO 0.29 -0.54 1.91 -0.24 -0.33 0.00 0.00 177.00 178.09 3inj h VAL 159 N 1.87 1.18 0.00 3.83 3.04 -1.78 -3.38 116.25 121.01 3inj h VAL 159 Ca -0.49 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 3inj h VAL 159 Cb 1.25 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3inj h VAL 159 CO 0.60 0.24 0.00 0.61 -1.01 0.00 0.00 177.57 178.01 3inj n GLY 160 N -0.90 0.26 3.63 3.17 0.00 -1.26 -4.87 105.19 105.22 3inj n GLY 160 Ca -0.00 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3inj n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inj s VAL 161 N -0.16 4.48 -0.24 1.61 1.01 -1.26 -2.41 120.40 123.43 3inj s VAL 161 Ca 0.00 1.59 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 3inj s VAL 161 Cb 0.00 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3inj s VAL 161 CO 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 175.10 174.62 3inj s GLY 163 N 1.43 2.24 -0.14 0.00 0.00 0.13 -0.42 107.32 110.55 3inj s GLY 163 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 3inj s GLY 163 CO 0.04 1.13 -0.10 1.20 0.00 0.00 0.00 173.10 175.37 3inj s GLN 164 N 1.36 1.82 -0.22 2.90 -0.21 0.15 -0.97 119.66 124.49 3inj s GLN 164 Ca 0.29 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 55.18 3inj s GLN 164 Cb -0.16 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.93 3inj s GLN 164 CO 0.12 -0.30 -0.07 0.42 -2.12 0.00 0.00 175.29 173.34 3inj s ILE 165 N 1.59 3.12 0.17 1.08 1.01 -0.35 0.06 121.20 127.88 3inj s ILE 165 Ca 0.04 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.16 3inj s ILE 165 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3inj s ILE 165 CO -0.09 0.41 -0.23 0.27 0.00 0.00 0.00 174.94 175.30 3inj s ILE 166 N 1.43 2.16 0.80 2.92 -4.36 -0.65 -1.97 121.20 121.53 3inj s ILE 166 Ca 0.05 -1.93 -0.04 0.00 -0.26 0.00 0.00 60.65 58.47 3inj s ILE 166 Cb -0.14 -1.99 0.16 0.00 1.25 0.00 0.00 42.46 41.74 3inj s ILE 166 CO -0.05 -0.13 1.10 -2.16 0.24 0.00 0.00 174.94 173.94 3inj s PRO 167 N -2.55 1.29 0.00 0.37 0.05 -1.25 -3.12 135.00 129.78 3inj s PRO 167 Ca 0.17 -1.04 0.22 0.00 0.05 0.00 0.00 61.00 60.40 3inj s PRO 167 Cb -0.08 -2.21 -0.00 0.00 0.05 0.00 0.00 34.50 32.26 3inj s PRO 167 CO 0.08 -1.78 1.05 -2.67 0.05 0.00 0.00 177.00 173.73 3inj n TRP 168 N -3.11 0.01 0.06 0.56 4.27 -1.26 -4.38 117.44 113.60 3inj n TRP 168 Ca 0.16 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.69 3inj n TRP 168 Cb 0.60 -0.11 0.03 0.00 -1.36 0.00 0.00 31.31 30.48 3inj n TRP 168 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3inj h ASN 169 N 0.00 0.42 -2.11 -0.67 -1.07 -1.96 -3.36 115.58 106.83 3inj h ASN 169 Ca 0.00 -0.28 -0.57 0.00 0.07 0.00 0.00 56.30 55.52 3inj h ASN 169 Cb 0.52 -0.12 -0.39 0.00 -2.07 0.00 0.00 38.32 36.25 3inj h ASN 169 CO 0.00 1.02 -1.00 0.49 0.07 0.00 0.00 177.43 178.01 3inj n PHE 170 N -3.81 0.23 -0.02 4.14 3.01 -1.26 -5.03 117.46 114.71 3inj n PHE 170 Ca -0.04 -3.63 -0.09 0.00 1.01 0.00 0.00 57.45 54.70 3inj n PHE 170 Cb 0.71 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 3inj n PHE 170 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3inj h PRO 171 N 4.29 -0.05 -0.04 -1.08 0.11 -1.77 0.86 132.00 134.32 3inj h PRO 171 Ca 0.12 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 3inj h PRO 171 Cb 0.85 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.98 3inj h PRO 171 CO 0.51 -0.03 -0.79 -0.07 -0.21 0.00 0.00 178.00 177.41 3inj h LEU 172 N -0.05 0.77 -0.55 2.35 3.38 -1.93 -2.68 115.31 116.59 3inj h LEU 172 Ca 0.09 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3inj h LEU 172 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3inj h LEU 172 CO -0.19 1.37 0.29 0.25 0.09 0.00 0.00 178.44 180.25 3inj h LEU 173 N 0.23 0.70 -0.67 1.67 5.85 -1.81 -1.58 115.31 119.70 3inj h LEU 173 Ca -0.09 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 3inj h LEU 173 Cb 1.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3inj h LEU 173 CO 0.16 0.60 0.05 0.24 -0.34 0.00 0.00 178.44 179.14 3inj h MET 174 N 0.74 1.08 -0.90 1.25 2.86 -0.90 0.43 114.93 119.48 3inj h MET 174 Ca 0.19 -0.31 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 3inj h MET 174 Cb 0.06 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.53 3inj h MET 174 CO -0.03 1.02 0.54 0.37 1.06 0.00 0.00 176.91 179.87 3inj h GLN 175 N 1.00 0.86 -0.27 1.72 4.15 -1.22 -2.36 115.11 118.99 3inj h GLN 175 Ca 0.19 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.38 3inj h GLN 175 Cb 0.50 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3inj h GLN 175 CO 0.02 0.57 -0.51 0.00 -1.93 0.00 0.00 178.83 176.98 3inj h ALA 176 N 1.48 0.42 -0.47 3.38 0.00 -0.63 -1.03 119.26 122.41 3inj h ALA 176 Ca 0.43 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3inj h ALA 176 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3inj h ALA 176 CO -0.25 0.61 0.32 -1.49 0.00 0.00 0.00 179.25 178.44 3inj h TRP 177 N 0.58 0.33 0.04 0.00 4.06 -0.61 -1.20 115.95 119.15 3inj h TRP 177 Ca 0.01 0.01 -0.18 0.00 2.06 0.00 0.00 58.89 60.79 3inj h TRP 177 Cb 1.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 3inj h TRP 177 CO 0.08 0.17 -0.97 0.87 -3.56 0.00 0.00 178.44 175.03 3inj h LYS 178 N 0.33 0.08 -0.51 0.49 1.79 -1.33 -3.40 116.57 114.02 3inj h LYS 178 Ca 0.21 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.43 3inj h LYS 178 Cb 0.42 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 3inj h LYS 178 CO -0.05 1.07 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.19 3inj h LEU 179 N -0.77 1.00 0.10 2.94 3.38 -1.12 -2.99 115.31 117.85 3inj h LEU 179 Ca -0.24 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.38 3inj h LEU 179 Cb 1.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3inj h LEU 179 CO -0.07 1.14 -0.48 1.23 0.09 0.00 0.00 178.44 180.35 3inj h GLY 180 N 0.86 -1.17 1.31 0.83 0.00 -1.43 -0.30 103.07 103.18 3inj h GLY 180 Ca 0.13 0.64 -0.16 0.00 0.00 0.00 0.00 47.33 47.94 3inj h GLY 180 CO 0.05 -0.29 -0.48 -0.56 0.00 0.00 0.00 176.54 175.27 3inj h PRO 181 N -0.67 0.74 0.56 4.80 0.13 -1.76 -1.74 132.00 134.05 3inj h PRO 181 Ca -0.00 -0.43 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 3inj h PRO 181 Cb 0.68 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3inj h PRO 181 CO -0.26 1.05 -0.38 0.00 -0.23 0.00 0.00 178.00 178.18 3inj h ALA 182 N 0.88 -0.93 0.00 -0.56 0.00 -1.39 -2.77 119.26 114.49 3inj h ALA 182 Ca 0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3inj h ALA 182 Cb 1.04 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3inj h ALA 182 CO 0.10 -1.04 -0.54 -0.07 0.00 0.00 0.00 179.25 177.70 3inj h LEU 183 N -0.90 0.00 -1.59 0.00 3.38 -1.09 -2.19 115.31 112.91 3inj h LEU 183 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3inj h LEU 183 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3inj h LEU 183 CO 0.04 0.54 0.11 0.00 0.09 0.00 0.00 178.44 179.22 3inj h ALA 184 N 1.46 1.68 -0.62 1.53 0.00 -1.26 -2.41 119.26 119.65 3inj h ALA 184 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3inj h ALA 184 Cb 1.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3inj h ALA 184 CO 0.07 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.83 3inj n THR 185 N -4.43 0.82 -0.94 0.00 -2.24 -1.03 -4.34 114.28 102.12 3inj n THR 185 Ca 0.01 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3inj n THR 185 Cb 0.13 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3inj n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inj n GLY 186 N 1.58 0.45 3.80 3.38 0.00 -0.91 -4.05 105.19 109.44 3inj n GLY 186 Ca 0.22 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3inj n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3inj s ASN 187 N -2.66 2.50 0.08 1.61 0.01 -0.85 -4.84 114.94 110.79 3inj s ASN 187 Ca 0.00 0.51 0.07 0.00 -0.71 0.00 0.00 52.86 52.73 3inj s ASN 187 Cb 0.00 -0.72 -0.03 0.00 0.41 0.00 0.00 41.25 40.91 3inj s ASN 187 CO 0.00 -3.13 -0.18 0.68 -1.51 0.00 0.00 177.10 172.95 3inj s VAL 188 N -3.49 1.47 0.07 1.60 -7.23 -1.01 -4.64 120.40 107.16 3inj s VAL 188 Ca 0.71 -1.37 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 3inj s VAL 188 Cb -0.08 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 3inj s VAL 188 CO 0.54 -0.06 -0.19 0.68 -0.31 0.00 0.00 175.10 175.76 3inj s VAL 189 N -1.11 1.52 -0.27 1.32 -7.23 0.56 -0.43 120.40 114.76 3inj s VAL 189 Ca 0.04 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3inj s VAL 189 Cb -0.10 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.54 3inj s VAL 189 CO 0.03 0.02 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.06 3inj s VAL 190 N -1.00 2.30 -0.11 1.32 1.01 0.43 -0.96 120.40 123.39 3inj s VAL 190 Ca 0.05 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 3inj s VAL 190 Cb -0.09 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3inj s VAL 190 CO 0.03 -0.05 -0.09 -0.32 0.00 0.00 0.00 175.10 174.67 3inj s MET 191 N 1.12 3.22 -0.23 2.72 1.75 0.14 -0.68 119.30 127.34 3inj s MET 191 Ca -0.08 -0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 53.71 3inj s MET 191 Cb -0.20 -2.68 -0.02 0.00 2.84 0.00 0.00 34.83 34.77 3inj s MET 191 CO -0.04 0.39 0.00 0.21 -0.65 0.00 0.00 175.02 174.92 3inj s LYS 192 N -0.07 3.51 0.16 4.11 2.36 0.11 -0.37 119.74 129.56 3inj s LYS 192 Ca -0.00 -0.56 0.04 0.00 -2.55 0.00 0.00 55.97 52.90 3inj s LYS 192 Cb -0.14 -3.12 -0.04 0.00 -1.05 0.00 0.00 37.83 33.49 3inj s LYS 192 CO 0.03 -0.15 0.22 0.14 1.55 0.00 0.00 175.35 177.14 3inj s VAL 193 N 1.43 4.93 0.40 4.02 -7.23 -1.25 -1.63 120.40 121.06 3inj s VAL 193 Ca 0.05 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 3inj s VAL 193 Cb -0.15 -3.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 3inj s VAL 193 CO -0.00 -0.12 1.31 0.00 -0.31 0.00 0.00 175.10 175.98 3inj s ALA 194 N -1.77 3.29 0.45 1.32 0.00 -1.18 -4.17 121.76 119.70 3inj s ALA 194 Ca 0.33 1.25 0.29 0.00 0.00 0.00 0.00 51.96 53.82 3inj s ALA 194 Cb -0.10 -3.49 1.55 0.00 0.00 0.00 0.00 23.12 21.08 3inj s ALA 194 CO 0.26 -0.82 2.11 1.05 0.00 0.00 0.00 175.76 178.37 3inj h GLU 195 N 2.74 0.00 0.00 0.00 4.11 -1.94 -2.15 114.58 117.34 3inj h GLU 195 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 3inj h GLU 195 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3inj h GLU 195 CO 0.63 0.09 -0.03 1.96 0.07 0.00 0.00 179.01 181.73 3inj h GLN 196 N 0.00 0.00 -0.70 1.06 7.50 -1.93 -3.39 115.11 117.65 3inj h GLN 196 Ca -0.00 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 58.83 3inj h GLN 196 Cb 0.26 0.00 -0.26 0.00 0.05 0.00 0.00 27.48 27.53 3inj h GLN 196 CO 0.01 0.03 -0.75 0.25 -1.50 0.00 0.00 178.83 176.86 3inj n THR 197 N -3.11 0.14 0.17 -0.54 -2.24 -0.90 -4.70 114.28 103.10 3inj n THR 197 Ca 0.03 -2.58 0.06 0.00 -2.27 0.00 0.00 64.05 59.29 3inj n THR 197 Cb 0.51 0.78 0.10 0.00 -2.10 0.00 0.00 70.33 69.62 3inj n THR 197 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3inj h PRO 198 N 2.77 0.00 -0.17 -0.78 0.13 -1.61 -3.41 132.00 128.93 3inj h PRO 198 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3inj h PRO 198 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3inj h PRO 198 CO 0.25 0.33 0.06 -0.07 -0.23 0.00 0.00 178.00 178.33 3inj h LEU 199 N 0.00 0.24 -1.05 1.56 3.38 -1.89 -2.78 115.31 114.76 3inj h LEU 199 Ca -0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3inj h LEU 199 Cb 1.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3inj h LEU 199 CO 0.04 0.36 -0.16 0.71 0.09 0.00 0.00 178.44 179.48 3inj h THR 200 N 0.10 1.24 -0.15 0.22 1.35 -1.91 -1.52 112.91 112.25 3inj h THR 200 Ca 0.05 -1.09 -0.15 0.00 -0.55 0.00 0.00 66.41 64.67 3inj h THR 200 Cb 0.20 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3inj h THR 200 CO -0.00 0.35 -0.53 0.00 -0.25 0.00 0.00 175.52 175.09 3inj h ALA 201 N 1.38 0.81 -0.57 6.62 0.00 -1.82 -1.85 119.26 123.84 3inj h ALA 201 Ca 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3inj h ALA 201 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3inj h ALA 201 CO 0.04 0.68 0.31 -0.07 0.00 0.00 0.00 179.25 180.21 3inj h LEU 202 N 0.33 0.70 -0.41 0.00 4.07 -1.17 -1.35 115.31 117.48 3inj h LEU 202 Ca 0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 3inj h LEU 202 Cb 1.04 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 3inj h LEU 202 CO 0.09 0.59 0.07 0.22 -1.08 0.00 0.00 178.44 178.33 3inj h TYR 203 N 0.76 0.72 -0.20 1.13 3.20 -1.11 -2.17 116.97 119.30 3inj h TYR 203 Ca 0.20 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3inj h TYR 203 Cb 0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3inj h TYR 203 CO -0.01 0.70 0.14 0.28 -1.64 0.00 0.00 178.16 177.63 3inj h VAL 204 N 0.52 0.95 -0.54 1.81 2.07 -1.17 0.01 116.25 119.90 3inj h VAL 204 Ca 0.12 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3inj h VAL 204 Cb 0.37 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3inj h VAL 204 CO 0.01 0.02 0.31 0.00 0.02 0.00 0.00 177.57 177.93 3inj h ALA 205 N 1.89 0.69 -0.87 1.67 0.00 -0.58 0.20 119.26 122.26 3inj h ALA 205 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3inj h ALA 205 Cb 0.25 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3inj h ALA 205 CO -0.01 0.02 0.57 -0.97 0.00 0.00 0.00 179.25 178.85 3inj h ASN 206 N 0.62 0.83 0.78 0.00 -1.24 -0.84 -0.86 115.58 114.86 3inj h ASN 206 Ca 0.22 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.13 3inj h ASN 206 Cb 0.05 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 3inj h ASN 206 CO -0.11 0.51 -0.52 -0.07 -1.29 0.00 0.00 177.43 175.95 3inj h LEU 207 N 0.93 0.00 -0.74 0.34 3.38 -0.80 -1.25 115.31 117.17 3inj h LEU 207 Ca 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 3inj h LEU 207 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3inj h LEU 207 CO -0.15 0.52 0.02 0.40 0.09 0.00 0.00 178.44 179.33 3inj h ILE 208 N 0.00 1.26 0.04 1.22 2.04 0.71 0.86 117.51 123.63 3inj h ILE 208 Ca -0.01 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3inj h ILE 208 Cb 1.05 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3inj h ILE 208 CO 0.07 0.39 -0.02 0.50 0.00 0.00 0.00 178.15 179.09 3inj h LYS 209 N 0.91 -0.06 -0.49 2.37 3.64 -1.12 -2.98 116.57 118.85 3inj h LYS 209 Ca 0.17 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3inj h LYS 209 Cb 0.50 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3inj h LYS 209 CO 0.02 0.07 0.33 1.49 -2.27 0.00 0.00 179.45 179.09 3inj h GLU 210 N -0.17 0.63 0.00 1.90 4.81 -0.98 -1.81 114.58 118.97 3inj h GLU 210 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3inj h GLU 210 Cb 0.15 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3inj h GLU 210 CO 0.01 0.42 -0.17 0.00 -0.73 0.00 0.00 179.01 178.54 3inj h ALA 211 N 1.70 1.06 0.00 2.92 0.00 -0.71 -3.47 119.26 120.76 3inj h ALA 211 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3inj h ALA 211 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3inj h ALA 211 CO -0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3inj n GLY 212 N -0.03 1.15 3.74 0.00 0.00 -0.68 -4.91 105.19 104.46 3inj n GLY 212 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3inj n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3inj s PHE 213 N -2.00 3.05 0.73 1.61 0.40 -1.14 -4.96 117.98 115.67 3inj s PHE 213 Ca 0.00 1.01 -0.16 0.00 -0.60 0.00 0.00 56.93 57.19 3inj s PHE 213 Cb 0.00 -3.80 0.03 0.00 0.51 0.00 0.00 43.02 39.76 3inj s PHE 213 CO 0.00 -2.64 1.23 -2.30 0.70 0.00 0.00 175.22 172.21 3inj n PRO 214 N 2.53 0.65 -1.80 0.24 -0.02 -1.26 -4.82 135.00 130.51 3inj n PRO 214 Ca 0.07 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3inj n PRO 214 Cb 0.40 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3inj n PRO 214 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3inj s PRO 215 N -3.71 4.12 0.00 0.52 0.04 -1.26 -2.70 135.00 132.01 3inj s PRO 215 Ca 0.78 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.38 3inj s PRO 215 Cb -0.34 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3inj s PRO 215 CO 0.46 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3inj n GLY 216 N 1.17 1.56 0.22 0.56 0.00 -1.26 -4.69 105.19 102.75 3inj n GLY 216 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3inj n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3inj h VAL 217 N 0.00 1.31 -3.23 1.61 2.07 -1.81 -3.29 116.25 112.91 3inj h VAL 217 Ca 0.00 -1.79 -0.51 0.00 0.82 0.00 0.00 66.70 65.22 3inj h VAL 217 Cb 0.00 1.75 -0.36 0.00 -1.52 0.00 0.00 31.29 31.16 3inj h VAL 217 CO 0.00 0.56 -0.80 -0.69 0.02 0.00 0.00 177.57 176.66 3inj s VAL 218 N -4.01 0.96 -0.08 2.57 1.01 -1.26 -0.32 120.40 119.27 3inj s VAL 218 Ca -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3inj s VAL 218 Cb 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3inj s VAL 218 CO 0.85 0.35 -0.18 0.20 0.00 0.00 0.00 175.10 176.32 3inj s ASN 219 N 1.54 2.41 -0.14 3.32 0.01 -0.13 -4.67 114.94 117.28 3inj s ASN 219 Ca 0.01 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 3inj s ASN 219 Cb -0.13 -1.02 0.01 0.00 0.41 0.00 0.00 41.25 40.52 3inj s ASN 219 CO -0.06 0.11 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.80 3inj s ILE 220 N 0.41 1.97 -0.38 0.60 1.01 0.66 0.23 121.20 125.69 3inj s ILE 220 Ca -0.14 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3inj s ILE 220 Cb -0.16 -1.75 0.11 0.00 0.01 0.00 0.00 42.46 40.67 3inj s ILE 220 CO 0.06 0.53 0.11 -0.69 0.00 0.00 0.00 174.94 174.95 3inj s VAL 221 N 0.86 2.13 0.87 2.92 1.01 0.50 -0.99 120.40 127.70 3inj s VAL 221 Ca -0.07 -2.45 -0.10 0.00 0.00 0.00 0.00 61.98 59.36 3inj s VAL 221 Cb -0.15 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.79 3inj s VAL 221 CO -0.02 -0.67 1.11 -2.16 0.00 0.00 0.00 175.10 173.36 3inj s PRO 222 N 0.70 1.44 0.00 2.72 0.04 -1.26 -3.95 135.00 134.69 3inj s PRO 222 Ca 0.12 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3inj s PRO 222 Cb -0.21 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3inj s PRO 222 CO -0.08 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.12 3inj n GLY 223 N -0.45 -0.02 3.98 0.56 0.00 -1.26 -1.49 105.19 106.50 3inj n GLY 223 Ca 0.10 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 3inj n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3inj s PHE 224 N -2.82 3.01 -0.10 1.61 2.99 -1.26 -3.93 117.98 117.48 3inj s PHE 224 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 56.93 56.64 3inj s PHE 224 Cb 0.00 -2.42 -0.22 0.00 0.00 0.00 0.00 43.02 40.38 3inj s PHE 224 CO 0.00 -0.49 0.88 0.78 -0.00 0.00 0.00 175.22 176.40 3inj h GLY 225 N 0.41 -0.02 1.76 4.36 0.00 -1.96 -0.33 103.07 107.29 3inj h GLY 225 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3inj h GLY 225 CO 0.53 -0.01 0.08 -1.05 0.00 0.00 0.00 176.54 176.09 3inj n PRO 226 N -4.72 0.09 0.00 4.80 -0.02 -1.26 -0.77 135.00 133.12 3inj n PRO 226 Ca -0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3inj n PRO 226 Cb 0.37 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3inj n PRO 226 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3inj n THR 227 N -1.98 0.00 0.07 3.45 -2.24 -1.21 -4.55 114.28 107.82 3inj n THR 227 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3inj n THR 227 Cb 0.10 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 3inj n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3inj h ALA 228 N -0.78 -0.09 -0.07 6.98 0.00 -1.18 -1.33 119.26 122.80 3inj h ALA 228 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3inj h ALA 228 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3inj h ALA 228 CO 0.00 -0.54 0.03 0.78 0.00 0.00 0.00 179.25 179.53 3inj h GLY 229 N -0.11 0.09 0.85 0.00 0.00 -1.29 -2.51 103.07 100.10 3inj h GLY 229 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.34 3inj h GLY 229 CO 0.01 0.02 0.65 0.00 0.00 0.00 0.00 176.54 177.22 3inj h ALA 230 N 1.03 1.38 -0.42 3.60 0.00 -0.90 -1.70 119.26 122.24 3inj h ALA 230 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3inj h ALA 230 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3inj h ALA 230 CO -0.02 0.51 0.28 0.00 0.00 0.00 0.00 179.25 180.02 3inj h ALA 231 N 1.44 1.86 -0.00 0.00 0.00 -0.87 -2.00 119.26 119.69 3inj h ALA 231 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3inj h ALA 231 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3inj h ALA 231 CO -0.14 0.08 -0.06 0.82 0.00 0.00 0.00 179.25 179.96 3inj h ILE 232 N 0.42 1.57 -0.01 0.00 2.04 -0.91 -2.35 117.51 118.28 3inj h ILE 232 Ca 0.17 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 3inj h ILE 232 Cb 0.16 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3inj h ILE 232 CO -0.04 0.46 -0.07 0.00 0.00 0.00 0.00 178.15 178.50 3inj h ALA 233 N 0.28 1.86 -0.01 1.87 0.00 -1.28 -2.58 119.26 119.39 3inj h ALA 233 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3inj h ALA 233 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3inj h ALA 233 CO 0.01 0.11 -0.49 0.43 0.00 0.00 0.00 179.25 179.31 3inj n SER 234 N -4.44 1.84 -4.75 0.00 7.64 -0.77 -3.91 113.62 109.22 3inj n SER 234 Ca -0.03 -1.40 -0.41 0.00 1.01 0.00 0.00 58.87 58.04 3inj n SER 234 Cb 0.16 0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 3inj n SER 234 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3inj s HIS 235 N -2.52 3.06 -1.12 1.43 5.04 -0.88 -4.77 115.29 115.52 3inj s HIS 235 Ca 0.18 1.13 0.26 0.00 -1.54 0.00 0.00 55.06 55.10 3inj s HIS 235 Cb 0.18 -3.76 1.17 0.00 0.04 0.00 0.00 32.58 30.22 3inj s HIS 235 CO 0.59 -2.39 1.85 0.39 -2.34 0.00 0.00 174.74 172.84 3inj n GLU 236 N 2.07 0.11 -0.09 2.88 -0.58 -1.26 -3.19 120.64 120.58 3inj n GLU 236 Ca 0.05 0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.91 3inj n GLU 236 Cb 0.41 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.88 3inj n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3inj n ASP 237 N -1.44 2.04 -4.64 1.62 2.03 -1.26 -4.86 116.55 110.04 3inj n ASP 237 Ca 0.08 -2.73 -0.38 0.00 0.52 0.00 0.00 54.79 52.28 3inj n ASP 237 Cb 0.28 -0.31 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 3inj n ASP 237 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3inj s VAL 238 N -2.20 5.26 -0.14 5.18 1.01 -1.19 -4.77 120.40 123.54 3inj s VAL 238 Ca 0.22 0.43 0.16 0.00 0.00 0.00 0.00 61.98 62.78 3inj s VAL 238 Cb 0.19 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3inj s VAL 238 CO 0.02 0.25 1.24 0.44 0.00 0.00 0.00 175.10 177.06 3inj h ASP 239 N 7.80 0.00 -3.87 3.32 3.32 -1.48 -3.43 116.42 122.08 3inj h ASP 239 Ca -0.35 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 3inj h ASP 239 Cb 1.17 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 3inj h ASP 239 CO 0.65 0.52 -0.19 -0.75 -1.72 0.00 0.00 179.24 177.75 3inj s LYS 240 N -2.96 0.53 -0.06 3.56 2.36 -1.11 -2.09 119.74 119.96 3inj s LYS 240 Ca 0.02 0.64 0.03 0.00 -2.55 0.00 0.00 55.97 54.11 3inj s LYS 240 Cb 0.08 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 37.11 3inj s LYS 240 CO 0.77 -0.07 -0.16 0.54 1.55 0.00 0.00 175.35 177.98 3inj s VAL 241 N 0.30 1.41 -0.20 4.02 0.11 -0.29 0.17 120.40 125.92 3inj s VAL 241 Ca -0.00 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 3inj s VAL 241 Cb -0.03 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3inj s VAL 241 CO -0.00 0.41 -0.16 0.00 -3.33 0.00 0.00 175.10 172.02 3inj s ALA 242 N 0.40 2.44 -0.11 1.54 0.00 -0.14 -1.70 121.76 124.19 3inj s ALA 242 Ca -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3inj s ALA 242 Cb -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3inj s ALA 242 CO 0.04 -0.44 -0.18 0.12 0.00 0.00 0.00 175.76 175.30 3inj s PHE 243 N 1.31 2.19 -0.16 0.00 5.36 -0.74 -1.22 117.98 124.73 3inj s PHE 243 Ca 0.04 -1.02 -0.00 0.00 -0.96 0.00 0.00 56.93 54.99 3inj s PHE 243 Cb -0.14 -1.53 -0.00 0.00 -0.34 0.00 0.00 43.02 41.00 3inj s PHE 243 CO -0.10 -0.49 -0.14 0.99 -1.46 0.00 0.00 175.22 174.02 3inj s THR 244 N 0.83 2.77 -2.39 0.12 2.01 -0.83 -0.93 115.64 117.21 3inj s THR 244 Ca -0.09 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.18 3inj s THR 244 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3inj s THR 244 CO 0.00 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3inj n GLY 245 N 4.10 -0.55 3.73 4.40 0.00 -0.54 -3.86 105.19 112.47 3inj n GLY 245 Ca -0.19 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 3inj n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 246 N -4.00 4.56 0.34 1.61 1.04 -1.26 -3.65 113.70 112.34 3inj s SER 246 Ca 0.00 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.82 3inj s SER 246 Cb 0.00 -2.59 0.59 0.00 0.10 0.00 0.00 66.02 64.12 3inj s SER 246 CO 0.00 -2.02 1.96 0.74 0.98 0.00 0.00 173.24 174.90 3inj h THR 247 N 0.13 1.18 -0.97 2.02 2.02 -1.90 -2.30 112.91 113.08 3inj h THR 247 Ca -0.49 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.26 3inj h THR 247 Cb 1.30 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 3inj h THR 247 CO 0.52 0.20 0.64 -0.08 0.37 0.00 0.00 175.52 177.16 3inj h GLU 248 N 0.79 1.23 0.02 6.66 4.81 -1.94 -2.72 114.58 123.43 3inj h GLU 248 Ca 0.20 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.13 3inj h GLU 248 Cb 0.03 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3inj h GLU 248 CO -0.03 0.82 -1.08 0.82 -0.73 0.00 0.00 179.01 178.80 3inj h ILE 249 N 1.27 1.63 -0.03 2.32 1.08 -1.87 -3.13 117.51 118.77 3inj h ILE 249 Ca 0.37 -3.33 0.01 0.00 -0.39 0.00 0.00 64.86 61.52 3inj h ILE 249 Cb -0.08 2.84 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 3inj h ILE 249 CO -0.10 0.94 0.04 1.23 -0.69 0.00 0.00 178.15 179.57 3inj h GLY 250 N 2.81 0.00 0.83 5.37 0.00 -1.12 0.08 103.07 111.04 3inj h GLY 250 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3inj h GLY 250 CO 0.14 0.00 -0.25 3.21 0.00 0.00 0.00 176.54 179.64 3inj h ARG 251 N 0.00 0.49 -0.62 4.80 3.08 -1.45 -2.93 114.38 117.75 3inj h ARG 251 Ca 0.01 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.79 3inj h ARG 251 Cb 0.09 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3inj h ARG 251 CO -0.00 0.87 0.41 0.28 -1.07 0.00 0.00 179.97 180.46 3inj h VAL 252 N 0.14 1.15 -0.08 2.04 2.07 -1.10 -2.84 116.25 117.64 3inj h VAL 252 Ca 0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3inj h VAL 252 Cb 0.82 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3inj h VAL 252 CO 0.06 0.15 0.04 0.40 0.02 0.00 0.00 177.57 178.24 3inj h ILE 253 N 0.83 1.00 -0.41 4.57 1.08 -1.25 -1.79 117.51 121.53 3inj h ILE 253 Ca 0.23 -0.03 -0.10 0.00 -0.39 0.00 0.00 64.86 64.57 3inj h ILE 253 Cb -0.08 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3inj h ILE 253 CO -0.06 0.02 -0.14 -0.61 -0.69 0.00 0.00 178.15 176.67 3inj h GLN 254 N 0.09 0.76 -0.40 2.37 4.15 -1.45 -1.11 115.11 119.51 3inj h GLN 254 Ca 0.03 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 3inj h GLN 254 Cb 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3inj h GLN 254 CO -0.02 0.86 0.19 0.28 -1.93 0.00 0.00 178.83 178.21 3inj h VAL 255 N 0.68 1.18 0.00 2.39 2.07 -1.43 -1.11 116.25 120.03 3inj h VAL 255 Ca 0.11 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3inj h VAL 255 Cb 0.63 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3inj h VAL 255 CO 0.04 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.72 3inj h ALA 256 N 1.04 1.62 0.01 1.67 0.00 -0.98 0.27 119.26 122.89 3inj h ALA 256 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3inj h ALA 256 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3inj h ALA 256 CO -0.02 0.13 -0.91 0.00 0.00 0.00 0.00 179.25 178.46 3inj h ALA 257 N 1.90 0.50 -0.11 0.00 0.00 -0.76 -2.36 119.26 118.43 3inj h ALA 257 Ca -0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 3inj h ALA 257 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3inj h ALA 257 CO 0.01 1.01 -0.85 0.78 0.00 0.00 0.00 179.25 180.21 3inj h GLY 258 N 2.22 0.83 2.00 0.00 0.00 -0.09 -1.19 103.07 106.84 3inj h GLY 258 Ca -0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 47.33 45.98 3inj h GLY 258 CO 0.13 1.11 -0.32 1.76 0.00 0.00 0.00 176.54 179.21 3inj h SER 259 N 0.49 0.00 0.00 0.19 0.02 -0.52 -3.41 113.55 110.32 3inj h SER 259 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3inj h SER 259 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3inj h SER 259 CO 0.17 0.32 0.00 -1.54 -1.14 0.00 0.00 176.83 174.64 3inj n SER 260 N -3.67 0.00 -0.37 3.07 3.41 -0.89 -4.94 113.62 110.22 3inj n SER 260 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.68 3inj n SER 260 Cb 0.43 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.54 3inj n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3inj n ASN 261 N 0.00 2.83 -3.59 4.04 6.94 -1.25 -4.97 115.26 119.26 3inj n ASN 261 Ca 0.00 -2.80 -0.21 0.00 -0.02 0.00 0.00 54.58 51.55 3inj n ASN 261 Cb 0.00 -0.38 0.06 0.00 -2.36 0.00 0.00 39.78 37.10 3inj n ASN 261 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3inj n LEU 262 N -0.82 -3.49 -4.76 -4.53 4.77 -0.45 -4.95 117.00 102.77 3inj n LEU 262 Ca 0.15 -0.68 -0.36 0.00 -0.03 0.00 0.00 56.01 55.09 3inj n LEU 262 Cb 0.64 -2.92 0.02 0.00 -2.33 0.00 0.00 43.42 38.83 3inj n LEU 262 CO 0.06 0.45 0.84 -1.59 -1.33 0.00 0.00 177.39 175.82 3inj s LYS 263 N -5.86 3.22 0.42 3.23 -2.85 -1.23 -4.99 119.74 111.68 3inj s LYS 263 Ca 0.19 1.80 -0.25 0.00 -1.00 0.00 0.00 55.97 56.72 3inj s LYS 263 Cb -0.09 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.54 3inj s LYS 263 CO 0.76 -1.00 1.23 1.03 0.10 0.00 0.00 175.35 177.47 3inj s ARG 264 N -3.17 3.91 -0.02 1.78 3.00 -0.89 -4.86 118.95 118.70 3inj s ARG 264 Ca 0.73 1.97 0.03 0.00 0.00 0.00 0.00 55.73 58.46 3inj s ARG 264 Cb -0.29 -2.63 -0.00 0.00 0.00 0.00 0.00 34.95 32.02 3inj s ARG 264 CO 0.33 -0.48 -0.11 0.08 0.00 0.00 0.00 175.30 175.12 3inj s VAL 265 N -1.37 0.87 0.05 3.52 1.01 -1.26 -1.14 120.40 122.08 3inj s VAL 265 Ca 0.59 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3inj s VAL 265 Cb -0.34 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3inj s VAL 265 CO 0.42 0.26 -0.17 0.42 0.00 0.00 0.00 175.10 176.03 3inj s THR 266 N -0.02 1.34 -0.01 3.92 -4.23 -0.69 -4.94 115.64 111.02 3inj s THR 266 Ca 0.00 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 3inj s THR 266 Cb -0.07 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 3inj s THR 266 CO 0.00 0.04 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.29 3inj s LEU 267 N -1.28 2.01 -0.23 4.79 1.43 -0.85 -1.79 118.68 122.76 3inj s LEU 267 Ca 0.04 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3inj s LEU 267 Cb -0.09 -0.36 0.05 0.00 0.03 0.00 0.00 46.19 45.83 3inj s LEU 267 CO 0.02 0.08 -0.11 -1.61 0.23 0.00 0.00 176.35 174.97 3inj s GLU 268 N -0.15 2.13 0.00 1.70 0.41 -0.11 -1.17 118.70 121.51 3inj s GLU 268 Ca 0.03 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 3inj s GLU 268 Cb -0.03 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3inj s GLU 268 CO -0.00 -0.50 0.00 1.28 -0.49 0.00 0.00 175.26 175.55 3inj n LEU 269 N 4.57 0.00 0.00 1.80 4.77 0.31 -1.47 117.00 126.98 3inj n LEU 269 Ca -0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3inj n LEU 269 Cb 0.45 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.65 3inj n LEU 269 CO 0.21 0.00 0.50 0.61 -1.33 0.00 0.00 177.39 177.38 3inj n GLY 270 N 5.00 -0.71 3.81 -0.72 0.00 -1.24 -4.83 105.19 106.50 3inj n GLY 270 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 3inj n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3inj s GLY 271 N -4.63 0.27 -0.41 -0.02 0.00 -1.16 -4.37 107.32 97.00 3inj s GLY 271 Ca 0.47 -0.64 0.09 0.00 0.00 0.00 0.00 44.72 44.63 3inj s GLY 271 CO 0.32 -0.27 0.87 1.17 0.00 0.00 0.00 173.10 175.19 3inj n LYS 272 N -0.51 0.96 -1.99 2.90 3.00 -1.26 -4.41 118.16 116.86 3inj n LYS 272 Ca -0.07 -2.76 -0.41 0.00 -0.00 0.00 0.00 58.31 55.07 3inj n LYS 272 Cb 0.60 -1.42 -0.02 0.00 0.00 0.00 0.00 35.03 34.19 3inj n LYS 272 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3inj s SER 273 N -1.89 6.63 0.03 3.14 0.01 -1.23 -4.58 113.70 115.82 3inj s SER 273 Ca 0.33 2.68 -0.29 0.00 1.31 0.00 0.00 55.95 59.98 3inj s SER 273 Cb 0.31 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 3inj s SER 273 CO -0.08 -0.72 0.92 -2.16 0.41 0.00 0.00 173.24 171.61 3inj s PRO 274 N -0.32 4.59 -0.34 12.44 0.04 -1.26 -2.12 135.00 148.02 3inj s PRO 274 Ca 0.60 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3inj s PRO 274 Cb -0.42 -3.42 0.06 0.00 0.04 0.00 0.00 34.50 30.76 3inj s PRO 274 CO 0.43 0.09 0.09 1.21 0.04 0.00 0.00 177.00 178.85 3inj s ASN 275 N 0.54 5.13 -0.29 6.66 2.47 0.16 -1.18 114.94 128.42 3inj s ASN 275 Ca 0.47 -1.42 -0.11 0.00 0.42 0.00 0.00 52.86 52.23 3inj s ASN 275 Cb -0.21 -1.79 -0.03 0.00 -1.45 0.00 0.00 41.25 37.76 3inj s ASN 275 CO 0.27 -0.36 0.18 -0.63 -3.72 0.00 0.00 177.10 172.84 3inj s ILE 276 N 1.28 5.06 -0.39 -5.21 1.01 0.70 -0.75 121.20 122.90 3inj s ILE 276 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 3inj s ILE 276 Cb -0.21 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 38.87 3inj s ILE 276 CO -0.01 0.19 0.19 -0.63 0.00 0.00 0.00 174.94 174.68 3inj s ILE 277 N 1.71 3.89 0.70 2.92 -1.09 0.87 -0.40 121.20 129.79 3inj s ILE 277 Ca 0.06 -1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 56.97 3inj s ILE 277 Cb -0.16 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 3inj s ILE 277 CO 0.09 -0.41 1.06 -0.04 -1.23 0.00 0.00 174.94 174.41 3inj s MET 278 N 1.37 2.94 0.34 2.79 -1.94 -0.82 -1.66 119.30 122.32 3inj s MET 278 Ca 0.02 0.84 0.26 0.00 -1.71 0.00 0.00 55.69 55.10 3inj s MET 278 Cb -0.22 -2.00 1.12 0.00 2.01 0.00 0.00 34.83 35.75 3inj s MET 278 CO 0.01 -1.07 1.78 0.66 -0.01 0.00 0.00 175.02 176.40 3inj h SER 279 N -0.69 0.00 -0.52 3.03 4.64 -1.89 -2.16 113.55 115.96 3inj h SER 279 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3inj h SER 279 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3inj h SER 279 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 3inj n ASP 280 N -2.44 4.91 -4.82 4.97 5.75 -1.26 -4.93 116.55 118.73 3inj n ASP 280 Ca 0.01 -2.70 -0.33 0.00 -0.01 0.00 0.00 54.79 51.76 3inj n ASP 280 Cb 0.22 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 3inj n ASP 280 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3inj s ALA 281 N -2.35 2.92 -0.42 2.12 0.00 -0.81 -3.52 121.76 119.70 3inj s ALA 281 Ca 0.47 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 3inj s ALA 281 Cb 0.34 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 3inj s ALA 281 CO 0.16 -0.38 1.78 0.34 0.00 0.00 0.00 175.76 177.67 3inj s ASP 282 N -2.60 5.75 0.12 0.00 -1.08 -1.26 -4.90 116.67 112.69 3inj s ASP 282 Ca 0.63 0.99 -0.27 0.00 -0.52 0.00 0.00 52.55 53.38 3inj s ASP 282 Cb -0.13 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 3inj s ASP 282 CO 0.28 -1.88 1.63 -0.03 0.52 0.00 0.00 175.17 175.69 3inj h MET 283 N 13.31 -0.46 0.17 4.34 1.85 -1.97 0.24 114.93 132.43 3inj h MET 283 Ca -0.31 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 3inj h MET 283 Cb 1.16 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 3inj h MET 283 CO 1.09 -0.30 -0.15 -0.44 -0.40 0.00 0.00 176.91 176.71 3inj h ASP 284 N -0.47 -0.39 -0.54 1.39 5.19 -2.00 -0.53 116.42 119.07 3inj h ASP 284 Ca 0.04 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 3inj h ASP 284 Cb 0.52 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.11 3inj h ASP 284 CO -0.18 -0.23 0.28 -0.25 -3.12 0.00 0.00 179.24 175.74 3inj h TRP 285 N -0.34 0.51 -0.32 4.55 2.91 -1.94 -2.29 115.95 119.03 3inj h TRP 285 Ca -0.00 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.92 3inj h TRP 285 Cb 0.31 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.80 3inj h TRP 285 CO -0.12 0.25 -0.27 0.00 -1.03 0.00 0.00 178.44 177.28 3inj h ALA 286 N 1.28 0.93 -0.21 2.65 0.00 -0.67 -0.53 119.26 122.71 3inj h ALA 286 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3inj h ALA 286 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3inj h ALA 286 CO -0.16 0.61 0.06 0.28 0.00 0.00 0.00 179.25 180.05 3inj h VAL 287 N 0.56 1.19 -0.48 0.00 2.07 -0.84 -0.19 116.25 118.56 3inj h VAL 287 Ca 0.07 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3inj h VAL 287 Cb 0.75 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3inj h VAL 287 CO 0.06 0.19 -0.12 -0.08 0.02 0.00 0.00 177.57 177.64 3inj h GLU 288 N 0.17 0.94 -0.64 1.57 4.57 -1.28 -1.76 114.58 118.14 3inj h GLU 288 Ca 0.07 -0.36 -0.08 0.00 -1.18 0.00 0.00 59.36 57.81 3inj h GLU 288 Cb 0.24 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3inj h GLU 288 CO -0.00 1.02 0.08 1.96 -1.18 0.00 0.00 179.01 180.89 3inj h GLN 289 N 0.79 1.07 -0.09 1.92 1.08 -1.04 -0.93 115.11 117.91 3inj h GLN 289 Ca 0.12 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 3inj h GLN 289 Cb 0.68 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3inj h GLN 289 CO 0.05 0.99 -0.34 0.00 -0.95 0.00 0.00 178.83 178.58 3inj h ALA 290 N 1.09 1.28 -0.09 3.87 0.00 -0.87 0.46 119.26 124.99 3inj h ALA 290 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3inj h ALA 290 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3inj h ALA 290 CO 0.02 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.01 3inj h HIS 291 N 0.15 0.19 0.08 0.00 -0.00 -0.94 -2.66 115.15 111.96 3inj h HIS 291 Ca 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3inj h HIS 291 Cb 0.67 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3inj h HIS 291 CO 0.01 0.44 -0.04 0.35 -0.00 0.00 0.00 177.93 178.69 3inj h PHE 292 N -0.12 -0.10 -1.02 5.26 3.04 -0.93 0.08 116.94 123.15 3inj h PHE 292 Ca 0.03 -0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.22 3inj h PHE 292 Cb 0.37 0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.81 3inj h PHE 292 CO 0.04 -0.05 0.64 0.00 -2.02 0.00 0.00 178.31 176.92 3inj h ALA 293 N 0.80 2.03 0.00 2.41 0.00 -0.06 -2.00 119.26 122.44 3inj h ALA 293 Ca -0.01 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3inj h ALA 293 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3inj h ALA 293 CO 0.02 -0.44 -1.29 -0.11 0.00 0.00 0.00 179.25 177.42 3inj n LEU 294 N -4.71 1.87 0.06 0.00 7.94 -1.01 -1.63 117.00 119.53 3inj n LEU 294 Ca 0.25 0.45 0.13 0.00 -1.11 0.00 0.00 56.01 55.74 3inj n LEU 294 Cb 0.79 -0.90 0.44 0.00 0.53 0.00 0.00 43.42 44.28 3inj n LEU 294 CO 0.23 0.11 0.83 0.49 -1.11 0.00 0.00 177.39 177.94 3inj n PHE 295 N -4.45 0.57 -1.58 1.96 3.01 -0.01 -4.03 117.46 112.93 3inj n PHE 295 Ca -0.29 0.17 -0.46 0.00 1.01 0.00 0.00 57.45 57.88 3inj n PHE 295 Cb 0.61 -0.75 -0.02 0.00 -0.01 0.00 0.00 39.48 39.31 3inj n PHE 295 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3inj n PHE 296 N -1.98 1.26 -3.73 1.38 -0.00 -0.76 -2.05 117.46 111.58 3inj n PHE 296 Ca 0.06 0.69 -0.26 0.00 -0.00 0.00 0.00 57.45 57.95 3inj n PHE 296 Cb 0.40 -2.26 0.05 0.00 -0.00 0.00 0.00 39.48 37.67 3inj n PHE 296 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3inj n ASN 297 N 1.51 -4.66 -1.64 -2.13 5.15 -1.26 -1.19 115.26 111.04 3inj n ASN 297 Ca 0.11 -0.68 -0.20 0.00 -0.60 0.00 0.00 54.58 53.22 3inj n ASN 297 Cb 0.30 -4.45 -0.07 0.00 -0.53 0.00 0.00 39.78 35.03 3inj n ASN 297 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3inj n GLN 298 N -4.70 -1.40 -1.00 1.20 3.00 -0.87 -1.32 117.38 112.28 3inj n GLN 298 Ca -0.05 1.15 0.00 0.00 -0.01 0.00 0.00 57.00 58.09 3inj n GLN 298 Cb 0.57 -5.53 0.00 0.00 0.00 0.00 0.00 30.24 25.28 3inj n GLN 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3inj n GLY 299 N -0.64 0.91 2.48 1.08 0.00 -0.34 -3.15 105.19 105.53 3inj n GLY 299 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3inj n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3inj n GLN 300 N -2.18 4.38 -4.47 1.61 6.02 -0.44 -3.23 117.38 119.08 3inj n GLN 300 Ca 0.00 -3.26 -0.25 0.00 -0.01 0.00 0.00 57.00 53.48 3inj n GLN 300 Cb 0.00 -2.68 -0.17 0.00 1.02 0.00 0.00 30.24 28.41 3inj n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3inj n ALA 304 N 0.93 -0.31 -1.98 0.00 0.00 -0.65 -4.75 120.51 113.74 3inj n ALA 304 Ca 0.24 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.72 3inj n ALA 304 Cb 0.88 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 3inj n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3inj n GLY 305 N 1.81 2.53 0.74 0.00 0.00 -0.64 -3.48 105.19 106.15 3inj n GLY 305 Ca 0.13 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3inj n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3inj n SER 306 N 9.39 2.31 -3.87 1.61 3.41 -1.02 -4.36 113.62 121.09 3inj n SER 306 Ca 0.49 -1.77 -0.30 0.00 -0.26 0.00 0.00 58.87 57.02 3inj n SER 306 Cb 0.44 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 3inj n SER 306 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3inj s ARG 307 N -1.95 1.27 -0.58 4.33 0.52 -0.90 -4.08 118.95 117.56 3inj s ARG 307 Ca 0.33 -1.75 -0.19 0.00 -0.52 0.00 0.00 55.73 53.60 3inj s ARG 307 Cb 0.20 -2.69 0.09 0.00 0.52 0.00 0.00 34.95 33.08 3inj s ARG 307 CO 0.31 -1.02 0.72 0.99 0.02 0.00 0.00 175.30 176.32 3inj s THR 308 N 0.87 4.78 -0.23 0.02 2.01 0.05 0.39 115.64 123.52 3inj s THR 308 Ca 0.13 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 3inj s THR 308 Cb -0.20 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 3inj s THR 308 CO -0.11 -1.09 0.68 -0.36 -0.69 0.00 0.00 174.62 173.05 3inj s PHE 309 N 2.82 3.32 -0.14 4.92 0.40 0.07 -0.38 117.98 129.00 3inj s PHE 309 Ca 0.13 0.94 0.01 0.00 -0.60 0.00 0.00 56.93 57.41 3inj s PHE 309 Cb -0.22 -2.88 0.02 0.00 0.51 0.00 0.00 43.02 40.44 3inj s PHE 309 CO 0.08 -0.30 -0.18 0.08 0.70 0.00 0.00 175.22 175.60 3inj s VAL 310 N 2.40 1.80 0.28 -0.44 1.01 0.17 -0.09 120.40 125.52 3inj s VAL 310 Ca 0.29 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3inj s VAL 310 Cb -0.16 -1.63 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 3inj s VAL 310 CO 0.09 0.50 1.55 1.67 0.00 0.00 0.00 175.10 178.91 3inj n GLN 311 N 4.38 2.53 0.17 2.72 0.00 -0.66 -2.38 117.38 124.14 3inj n GLN 311 Ca -0.19 0.90 0.17 0.00 -0.00 0.00 0.00 57.00 57.88 3inj n GLN 311 Cb 0.51 -2.65 0.78 0.00 0.00 0.00 0.00 30.24 28.87 3inj n GLN 311 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 3inj h GLU 312 N 4.70 0.00 0.00 3.69 4.11 -1.33 -1.08 114.58 124.68 3inj h GLU 312 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.92 3inj h GLU 312 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3inj h GLU 312 CO 0.79 0.00 -0.21 -0.44 0.07 0.00 0.00 179.01 179.22 3inj h ASP 313 N 0.00 0.00 -0.05 3.06 5.19 -1.89 -3.01 116.42 119.72 3inj h ASP 313 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3inj h ASP 313 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3inj h ASP 313 CO -0.00 0.21 0.00 2.30 -3.12 0.00 0.00 179.24 178.63 3inj n ILE 314 N -4.07 0.28 -0.01 0.35 -5.35 -0.47 -4.78 119.36 105.31 3inj n ILE 314 Ca -0.02 -0.64 -0.09 0.00 -0.27 0.00 0.00 62.75 61.73 3inj n ILE 314 Cb 0.29 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 3inj n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3inj h TYR 315 N 1.02 -0.39 -0.40 4.28 5.03 -1.24 -0.62 116.97 124.65 3inj h TYR 315 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3inj h TYR 315 Cb 0.33 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 3inj h TYR 315 CO 0.03 -0.22 0.25 -0.44 -1.32 0.00 0.00 178.16 176.46 3inj h ASP 316 N -0.18 0.47 -0.24 -2.11 3.32 -1.87 -0.71 116.42 115.10 3inj h ASP 316 Ca 0.10 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 3inj h ASP 316 Cb 0.33 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3inj h ASP 316 CO -0.26 0.37 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.09 3inj h GLU 317 N 0.53 0.73 -0.60 3.56 4.81 -1.88 -1.68 114.58 120.05 3inj h GLU 317 Ca 0.14 -0.47 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3inj h GLU 317 Cb -0.02 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3inj h GLU 317 CO -0.03 1.09 0.33 0.35 -0.73 0.00 0.00 179.01 180.02 3inj h PHE 318 N 0.46 0.61 -0.47 0.92 3.57 -0.89 -1.09 116.94 120.05 3inj h PHE 318 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3inj h PHE 318 Cb 1.06 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3inj h PHE 318 CO 0.08 0.31 0.22 0.28 -2.23 0.00 0.00 178.31 176.96 3inj h VAL 319 N 0.63 1.19 -0.59 1.41 2.07 -1.05 -1.02 116.25 118.90 3inj h VAL 319 Ca 0.26 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3inj h VAL 319 Cb 0.13 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3inj h VAL 319 CO -0.16 0.22 0.31 -0.33 0.02 0.00 0.00 177.57 177.63 3inj h GLU 320 N 0.62 0.83 -0.13 1.57 5.08 -0.72 -1.32 114.58 120.51 3inj h GLU 320 Ca 0.16 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3inj h GLU 320 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3inj h GLU 320 CO -0.02 0.66 -0.46 0.00 -1.00 0.00 0.00 179.01 178.18 3inj h ARG 321 N 0.80 0.32 -0.36 2.33 3.08 -1.08 -2.49 114.38 116.98 3inj h ARG 321 Ca 0.21 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3inj h ARG 321 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3inj h ARG 321 CO -0.03 0.72 -0.31 0.77 -1.07 0.00 0.00 179.97 180.05 3inj h SER 322 N 0.26 0.83 -0.12 7.04 0.02 -0.87 -2.02 113.55 118.69 3inj h SER 322 Ca 0.02 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3inj h SER 322 Cb 0.92 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 3inj h SER 322 CO 0.08 1.07 0.00 0.58 -1.14 0.00 0.00 176.83 177.42 3inj h VAL 323 N 0.67 1.25 -0.64 2.27 2.07 -1.17 -1.60 116.25 119.09 3inj h VAL 323 Ca 0.07 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 66.91 3inj h VAL 323 Cb 0.85 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 3inj h VAL 323 CO 0.07 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.09 3inj h ALA 324 N 0.76 0.81 -0.24 1.67 0.00 -1.41 0.13 119.26 120.99 3inj h ALA 324 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3inj h ALA 324 Cb 0.35 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3inj h ALA 324 CO 0.01 -0.25 0.04 -0.09 0.00 0.00 0.00 179.25 178.95 3inj h ARG 325 N 0.34 0.40 -0.35 0.00 9.65 -1.32 -2.97 114.38 120.12 3inj h ARG 325 Ca 0.34 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 59.06 3inj h ARG 325 Cb 0.48 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 3inj h ARG 325 CO -0.38 0.53 0.00 0.00 2.80 0.00 0.00 179.97 182.92 3inj h ALA 326 N 0.85 1.35 0.00 2.80 0.00 -0.82 -2.10 119.26 121.34 3inj h ALA 326 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3inj h ALA 326 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3inj h ALA 326 CO 0.01 0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.58 3inj h LYS 327 N 0.53 0.00 -0.19 0.00 1.57 -0.68 -3.00 116.57 114.79 3inj h LYS 327 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3inj h LYS 327 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3inj h LYS 327 CO 0.01 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3inj n SER 328 N -2.83 2.71 -4.66 0.86 3.41 -0.83 -4.97 113.62 107.32 3inj n SER 328 Ca 0.01 -2.24 -0.43 0.00 -0.26 0.00 0.00 58.87 55.94 3inj n SER 328 Cb 0.25 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3inj n SER 328 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3inj s ARG 329 N -1.43 4.26 -0.13 4.33 3.52 -0.97 -4.98 118.95 123.55 3inj s ARG 329 Ca 0.19 1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 3inj s ARG 329 Cb 0.13 -3.66 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3inj s ARG 329 CO 0.09 -0.63 1.22 0.08 -0.81 0.00 0.00 175.30 175.24 3inj s VAL 330 N 3.22 4.31 -0.17 7.11 1.01 -1.26 -4.92 120.40 129.70 3inj s VAL 330 Ca 0.46 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 64.00 3inj s VAL 330 Cb -0.16 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3inj s VAL 330 CO 0.07 -0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 174.38 3inj s VAL 331 N 2.95 3.95 -0.62 2.92 1.01 -1.26 -0.50 120.40 128.85 3inj s VAL 331 Ca 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3inj s VAL 331 Cb -0.22 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3inj s VAL 331 CO 0.17 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3inj n GLY 332 N 3.68 -0.65 3.68 4.51 0.00 -1.01 -4.98 105.19 110.41 3inj n GLY 332 Ca -0.17 -0.68 -0.47 0.00 0.00 0.00 0.00 46.02 44.69 3inj n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3inj n ASN 333 N 0.05 3.46 0.04 1.61 2.85 -1.26 -4.42 115.26 117.59 3inj n ASN 333 Ca 0.00 1.00 0.05 0.00 -0.11 0.00 0.00 54.58 55.52 3inj n ASN 333 Cb 0.00 -1.41 0.23 0.00 1.24 0.00 0.00 39.78 39.84 3inj n ASN 333 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3inj n PRO 334 N 5.76 0.04 0.01 1.20 -0.04 -1.26 -1.96 135.00 138.75 3inj n PRO 334 Ca 0.21 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 3inj n PRO 334 Cb 0.31 -1.61 0.20 0.00 -0.04 0.00 0.00 33.50 32.35 3inj n PRO 334 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3inj n PHE 335 N -1.70 0.05 -2.86 0.54 3.01 -1.26 0.02 117.46 115.26 3inj n PHE 335 Ca 0.01 0.01 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 3inj n PHE 335 Cb 0.07 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 3inj n PHE 335 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3inj s ASP 336 N -3.13 7.00 0.60 4.37 -1.08 -0.83 -4.92 116.67 118.68 3inj s ASP 336 Ca 0.10 1.23 0.40 0.00 -0.52 0.00 0.00 52.55 53.76 3inj s ASP 336 Cb 0.17 -2.47 2.07 0.00 -1.46 0.00 0.00 42.92 41.23 3inj s ASP 336 CO 0.72 -0.41 2.21 0.77 0.52 0.00 0.00 175.17 178.99 3inj h SER 337 N 7.29 0.00 1.33 -0.34 4.64 -1.87 -0.73 113.55 123.87 3inj h SER 337 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3inj h SER 337 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3inj h SER 337 CO 0.84 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 176.97 3inj n LYS 338 N -2.98 0.25 -2.06 4.77 5.02 -1.26 -4.88 118.16 117.02 3inj n LYS 338 Ca -0.02 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3inj n LYS 338 Cb 0.12 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3inj n LYS 338 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3inj s THR 339 N -3.11 3.56 -0.06 -0.18 2.01 -0.28 -4.74 115.64 112.84 3inj s THR 339 Ca 0.10 0.79 0.11 0.00 0.31 0.00 0.00 61.69 63.00 3inj s THR 339 Cb 0.13 -3.51 -0.23 0.00 0.01 0.00 0.00 72.50 68.90 3inj s THR 339 CO 0.62 -0.05 0.59 -0.62 -0.69 0.00 0.00 174.62 174.47 3inj n GLU 340 N 6.53 0.65 -3.70 4.92 1.02 0.35 -4.87 120.64 125.53 3inj n GLU 340 Ca 0.16 0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 57.38 3inj n GLU 340 Cb 0.43 -1.77 -0.18 0.00 -0.02 0.00 0.00 31.44 29.90 3inj n GLU 340 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3inj s GLN 341 N -2.59 0.02 0.00 3.49 0.74 -0.21 -4.86 119.66 116.25 3inj s GLN 341 Ca -0.07 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.66 3inj s GLN 341 Cb 0.08 -0.53 0.00 0.00 1.10 0.00 0.00 33.01 33.66 3inj s GLN 341 CO 0.82 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.67 3inj n GLY 342 N 5.10 0.12 3.87 2.59 0.00 -1.26 -2.40 105.19 113.21 3inj n GLY 342 Ca -0.07 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 3inj n GLY 342 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3inj s PRO 343 N 0.66 3.54 0.73 1.61 0.04 -1.25 -4.75 135.00 135.58 3inj s PRO 343 Ca 0.00 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 3inj s PRO 343 Cb 0.00 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3inj s PRO 343 CO 0.00 -0.61 1.09 -0.65 0.04 0.00 0.00 177.00 176.87 3inj s GLN 344 N -5.19 2.49 0.32 4.56 -1.52 0.15 -4.70 119.66 115.78 3inj s GLN 344 Ca 0.55 1.18 0.02 0.00 -1.95 0.00 0.00 55.36 55.16 3inj s GLN 344 Cb -0.11 -1.92 0.55 0.00 -0.22 0.00 0.00 33.01 31.30 3inj s GLN 344 CO 0.54 -1.46 1.92 -0.24 -0.25 0.00 0.00 175.29 175.79 3inj h VAL 345 N -0.79 1.19 -3.14 1.09 3.04 -1.88 -3.42 116.25 112.34 3inj h VAL 345 Ca -0.44 -0.58 -0.05 0.00 -1.01 0.00 0.00 66.70 64.61 3inj h VAL 345 Cb 1.23 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3inj h VAL 345 CO 0.53 0.23 0.22 1.51 -1.01 0.00 0.00 177.57 179.05 3inj s ASP 346 N -6.57 0.13 0.35 3.17 1.47 -1.26 -4.63 116.67 109.33 3inj s ASP 346 Ca -0.09 -1.21 0.13 0.00 1.18 0.00 0.00 52.55 52.56 3inj s ASP 346 Cb 0.16 0.84 0.62 0.00 -0.34 0.00 0.00 42.92 44.20 3inj s ASP 346 CO 0.78 -1.66 1.75 -0.08 0.68 0.00 0.00 175.17 176.64 3inj h GLU 347 N 2.01 0.00 -0.09 2.11 4.81 -1.98 -0.03 114.58 121.41 3inj h GLU 347 Ca -0.32 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3inj h GLU 347 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3inj h GLU 347 CO 0.41 0.44 0.03 1.15 -0.73 0.00 0.00 179.01 180.32 3inj h THR 348 N 0.00 1.15 -0.32 0.32 2.02 -1.99 0.04 112.91 114.13 3inj h THR 348 Ca -0.00 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 3inj h THR 348 Cb 0.82 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3inj h THR 348 CO 0.06 0.13 -0.06 1.56 0.37 0.00 0.00 175.52 177.58 3inj h GLN 349 N -0.02 0.61 -0.64 6.66 1.08 -1.93 -0.45 115.11 120.43 3inj h GLN 349 Ca 0.03 -0.22 0.13 0.00 -1.45 0.00 0.00 58.65 57.13 3inj h GLN 349 Cb 0.18 -0.04 -0.12 0.00 -0.05 0.00 0.00 27.48 27.44 3inj h GLN 349 CO -0.00 0.78 -0.19 0.35 -0.95 0.00 0.00 178.83 178.82 3inj h PHE 350 N 0.39 -0.43 -0.03 2.96 3.57 -0.95 0.14 116.94 122.59 3inj h PHE 350 Ca 0.08 0.06 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 3inj h PHE 350 Cb 0.54 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3inj h PHE 350 CO 0.05 -0.30 -0.85 0.87 -2.23 0.00 0.00 178.31 175.85 3inj h LYS 351 N -0.03 0.38 -0.62 1.11 1.57 -0.78 -2.61 116.57 115.60 3inj h LYS 351 Ca 0.30 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3inj h LYS 351 Cb 0.49 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3inj h LYS 351 CO -0.67 1.04 0.02 -0.22 -0.57 0.00 0.00 179.45 179.04 3inj h LYS 352 N 0.24 1.08 -0.28 3.15 3.64 -0.37 -1.37 116.57 122.66 3inj h LYS 352 Ca -0.06 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3inj h LYS 352 Cb 1.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 3inj h LYS 352 CO 0.14 1.04 -0.02 0.82 -2.27 0.00 0.00 179.45 179.17 3inj h ILE 353 N 0.99 1.26 -0.99 2.00 2.04 -0.77 -2.09 117.51 119.95 3inj h ILE 353 Ca 0.18 -0.97 0.10 0.00 1.00 0.00 0.00 64.86 65.16 3inj h ILE 353 Cb 0.54 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 3inj h ILE 353 CO 0.03 0.31 0.63 -0.07 0.00 0.00 0.00 178.15 179.05 3inj h LEU 354 N 0.27 0.96 -0.09 1.44 3.38 -1.37 -1.16 115.31 118.73 3inj h LEU 354 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3inj h LEU 354 Cb 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3inj h LEU 354 CO 0.02 0.56 -0.06 1.23 0.09 0.00 0.00 178.44 180.27 3inj h GLY 355 N 1.06 0.02 1.02 0.83 0.00 -0.98 -0.44 103.07 104.57 3inj h GLY 355 Ca 0.47 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 3inj h GLY 355 CO -0.23 -0.08 0.59 -0.97 0.00 0.00 0.00 176.54 175.86 3inj h TYR 356 N -0.07 1.24 -0.30 5.60 -1.99 -0.70 0.17 116.97 120.93 3inj h TYR 356 Ca 0.06 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.83 3inj h TYR 356 Cb 0.15 -0.41 -0.04 0.00 2.00 0.00 0.00 36.73 38.44 3inj h TYR 356 CO -0.18 0.81 0.07 0.82 -0.00 0.00 0.00 178.16 179.68 3inj h ILE 357 N 1.30 0.88 -0.67 -2.88 2.04 -1.00 0.12 117.51 117.30 3inj h ILE 357 Ca 0.34 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 3inj h ILE 357 Cb -0.09 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3inj h ILE 357 CO -0.07 0.03 0.40 -1.13 0.00 0.00 0.00 178.15 177.39 3inj h ASN 358 N 0.19 0.80 -0.27 1.72 -1.24 0.30 -2.48 115.58 114.60 3inj h ASN 358 Ca 0.14 -0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.02 3inj h ASN 358 Cb 0.13 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3inj h ASN 358 CO -0.17 0.61 -0.15 0.74 -1.29 0.00 0.00 177.43 177.18 3inj h THR 359 N 0.92 1.30 -0.50 -3.57 2.02 -0.14 -2.74 112.91 110.21 3inj h THR 359 Ca 0.24 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3inj h THR 359 Cb -0.03 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3inj h THR 359 CO -0.05 0.40 0.25 1.23 0.37 0.00 0.00 175.52 177.72 3inj h GLY 360 N 0.30 0.73 1.02 2.16 0.00 -0.44 -0.78 103.07 106.07 3inj h GLY 360 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3inj h GLY 360 CO 0.04 0.31 -0.16 0.50 0.00 0.00 0.00 176.54 177.23 3inj h LYS 361 N 0.69 0.83 -0.28 4.80 1.57 -1.45 -1.76 116.57 120.97 3inj h LYS 361 Ca 0.18 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 3inj h LYS 361 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3inj h LYS 361 CO -0.03 0.98 -0.37 0.37 -0.57 0.00 0.00 179.45 179.83 3inj h GLN 362 N 0.64 0.64 -0.83 3.15 4.15 -1.06 -2.97 115.11 118.84 3inj h GLN 362 Ca 0.10 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 3inj h GLN 362 Cb 0.71 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 3inj h GLN 362 CO 0.05 0.91 0.00 -0.85 -1.93 0.00 0.00 178.83 177.02 3inj n GLU 363 N -4.05 2.64 -0.69 1.69 0.28 -0.36 -4.89 120.64 115.27 3inj n GLU 363 Ca -0.01 -1.33 0.00 0.00 -0.16 0.00 0.00 57.16 55.66 3inj n GLU 363 Cb 0.51 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.55 3inj n GLU 363 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3inj n GLY 364 N 0.26 0.70 3.78 -1.84 0.00 -1.12 -4.99 105.19 101.98 3inj n GLY 364 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3inj n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inj s ALA 365 N -2.35 2.91 -0.43 4.61 0.00 -0.66 -4.98 121.76 120.85 3inj s ALA 365 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 3inj s ALA 365 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3inj s ALA 365 CO 0.00 -0.50 0.68 0.21 0.00 0.00 0.00 175.76 176.15 3inj s LYS 366 N -2.91 3.37 -0.30 0.00 2.20 -0.84 -4.54 119.74 116.72 3inj s LYS 366 Ca 0.65 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.73 3inj s LYS 366 Cb -0.23 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 3inj s LYS 366 CO 0.28 -1.00 1.67 -1.17 -0.36 0.00 0.00 175.35 174.76 3inj s LEU 367 N 2.93 3.67 -0.10 5.43 2.96 -1.26 -0.99 118.68 131.32 3inj s LEU 367 Ca 0.25 1.36 0.16 0.00 -0.22 0.00 0.00 54.13 55.68 3inj s LEU 367 Cb -0.14 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 3inj s LEU 367 CO 0.19 -1.49 0.41 0.18 -1.32 0.00 0.00 176.35 174.33 3inj n LEU 368 N 9.32 0.42 -3.74 -0.68 4.77 0.23 -4.98 117.00 122.34 3inj n LEU 368 Ca 0.20 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 3inj n LEU 368 Cb 0.46 0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3inj n LEU 368 CO 0.67 0.37 0.71 0.00 -1.33 0.00 0.00 177.39 177.82 3inj n GLY 370 N -0.45 2.36 0.33 0.00 0.00 -1.23 -2.86 105.19 103.33 3inj n GLY 370 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3inj n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inj n GLY 371 N 0.00 0.77 3.35 -0.02 0.00 -1.26 -4.98 105.19 103.06 3inj n GLY 371 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3inj n GLY 371 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3inj s GLY 372 N -1.63 2.33 0.41 -0.02 0.00 -1.26 -4.96 107.32 102.19 3inj s GLY 372 Ca 0.00 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.70 3inj s GLY 372 CO 0.00 -1.58 1.20 -0.42 0.00 0.00 0.00 173.10 172.30 3inj s ILE 373 N -3.45 3.00 -1.32 0.90 1.01 -1.26 -0.48 121.20 119.60 3inj s ILE 373 Ca 0.35 0.84 0.12 0.00 0.00 0.00 0.00 60.65 61.96 3inj s ILE 373 Cb 0.03 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.08 3inj s ILE 373 CO 0.22 0.07 0.80 0.00 0.00 0.00 0.00 174.94 176.03 3inj n ALA 374 N -0.03 2.69 -3.39 9.38 0.00 -0.26 -4.62 120.51 124.29 3inj n ALA 374 Ca 0.05 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3inj n ALA 374 Cb 0.46 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3inj n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inj s ALA 375 N -1.26 -1.54 -1.80 0.00 0.00 -1.26 -4.97 121.76 110.93 3inj s ALA 375 Ca 0.12 0.52 0.25 0.00 0.00 0.00 0.00 51.96 52.85 3inj s ALA 375 Cb 0.10 0.78 0.54 0.00 0.00 0.00 0.00 23.12 24.54 3inj s ALA 375 CO 0.22 -0.71 1.43 -0.40 0.00 0.00 0.00 175.76 176.30 3inj n ASP 376 N -0.23 1.27 -3.95 0.00 3.85 -1.26 -4.75 116.55 111.48 3inj n ASP 376 Ca -0.17 -1.04 -0.14 0.00 -0.71 0.00 0.00 54.79 52.73 3inj n ASP 376 Cb 0.64 0.24 -0.13 0.00 -1.35 0.00 0.00 41.12 40.52 3inj n ASP 376 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3inj s ARG 377 N -2.51 0.31 0.00 0.11 3.52 -1.26 -5.09 118.95 114.03 3inj s ARG 377 Ca 0.22 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3inj s ARG 377 Cb 0.19 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3inj s ARG 377 CO 0.54 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 3inj n GLY 378 N 2.60 -0.84 2.75 8.12 0.00 -1.23 -4.68 105.19 111.91 3inj n GLY 378 Ca -0.15 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 3inj n GLY 378 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inj n TYR 379 N -0.83 3.24 -3.51 1.61 4.02 -0.65 -4.95 117.16 116.09 3inj n TYR 379 Ca 0.00 -3.07 -0.37 0.00 -0.01 0.00 0.00 57.90 54.45 3inj n TYR 379 Cb 0.00 -0.94 -0.07 0.00 -0.02 0.00 0.00 39.34 38.31 3inj n TYR 379 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3inj s PHE 380 N -4.03 3.51 -0.03 -0.72 0.40 -1.26 0.34 117.98 116.19 3inj s PHE 380 Ca 0.43 0.69 0.06 0.00 -0.60 0.00 0.00 56.93 57.51 3inj s PHE 380 Cb 0.22 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3inj s PHE 380 CO -0.14 0.30 -0.20 0.42 0.70 0.00 0.00 175.22 176.30 3inj s ILE 381 N 0.23 1.63 0.31 0.64 1.01 -1.26 -1.10 121.20 122.66 3inj s ILE 381 Ca 0.19 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 3inj s ILE 381 Cb -0.14 -1.37 -0.11 0.00 0.01 0.00 0.00 42.46 40.86 3inj s ILE 381 CO 0.06 0.46 1.43 -1.10 0.00 0.00 0.00 174.94 175.79 3inj s GLN 382 N -0.26 4.24 0.10 2.79 -0.21 0.36 -4.71 119.66 121.97 3inj s GLN 382 Ca 0.02 2.38 -0.35 0.00 0.02 0.00 0.00 55.36 57.43 3inj s GLN 382 Cb -0.10 -3.05 -0.14 0.00 1.00 0.00 0.00 33.01 30.72 3inj s GLN 382 CO 0.01 -0.40 1.58 -2.30 -2.12 0.00 0.00 175.29 172.05 3inj n PRO 383 N 1.38 1.93 -5.02 2.91 -0.02 -1.26 -4.28 135.00 130.64 3inj n PRO 383 Ca 0.03 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3inj n PRO 383 Cb 0.40 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.27 3inj n PRO 383 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3inj s THR 384 N 1.31 1.72 -0.13 3.45 2.01 0.34 -3.56 115.64 120.78 3inj s THR 384 Ca 0.82 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3inj s THR 384 Cb -0.75 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.31 3inj s THR 384 CO 0.42 0.49 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.03 3inj s VAL 385 N 0.10 1.36 -0.19 3.82 1.01 -1.14 0.61 120.40 125.98 3inj s VAL 385 Ca -0.08 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3inj s VAL 385 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3inj s VAL 385 CO 0.04 0.42 0.09 -0.36 0.00 0.00 0.00 175.10 175.29 3inj s PHE 386 N 1.56 3.29 0.42 5.22 0.40 0.98 -0.61 117.98 129.25 3inj s PHE 386 Ca 0.05 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 3inj s PHE 386 Cb -0.13 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 3inj s PHE 386 CO -0.10 0.17 0.31 0.20 0.70 0.00 0.00 175.22 176.51 3inj s GLY 387 N 0.46 2.22 -1.48 4.36 0.00 -0.16 -0.97 107.32 111.75 3inj s GLY 387 Ca 0.05 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 42.72 3inj s GLY 387 CO 0.00 -1.79 0.95 1.22 0.00 0.00 0.00 173.10 173.49 3inj n ASP 388 N -1.46 -5.20 -4.75 1.64 8.00 -1.07 -1.98 116.55 111.73 3inj n ASP 388 Ca 0.02 -0.65 -0.40 0.00 0.71 0.00 0.00 54.79 54.46 3inj n ASP 388 Cb 0.63 -4.15 -0.05 0.00 -0.02 0.00 0.00 41.12 37.53 3inj n ASP 388 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3inj s VAL 389 N -3.26 3.84 0.01 2.53 1.01 -0.66 -4.66 120.40 119.21 3inj s VAL 389 Ca 0.60 1.83 0.05 0.00 0.00 0.00 0.00 61.98 64.46 3inj s VAL 389 Cb -0.29 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3inj s VAL 389 CO 0.74 0.43 -0.13 -1.10 0.00 0.00 0.00 175.10 175.04 3inj s GLN 390 N -1.20 2.35 0.59 2.72 -1.52 -1.26 -4.50 119.66 116.83 3inj s GLN 390 Ca 0.43 -0.82 0.29 0.00 -1.95 0.00 0.00 55.36 53.31 3inj s GLN 390 Cb -0.28 -2.35 1.41 0.00 -0.22 0.00 0.00 33.01 31.56 3inj s GLN 390 CO 0.36 0.58 1.81 -0.44 -0.25 0.00 0.00 175.29 177.34 3inj h ASP 391 N 4.70 0.00 1.62 5.90 3.32 -1.97 -1.24 116.42 128.75 3inj h ASP 391 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3inj h ASP 391 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3inj h ASP 391 CO 0.51 0.00 -0.38 1.23 -1.72 0.00 0.00 179.24 178.87 3inj h GLY 392 N 0.00 0.00 -2.56 2.75 0.00 -1.95 -3.42 103.07 97.89 3inj h GLY 392 Ca 0.29 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.08 3inj h GLY 392 CO -0.00 0.00 0.56 1.06 0.00 0.00 0.00 176.54 178.16 3inj s MET 393 N -3.24 3.09 0.22 4.80 -1.94 -0.47 -4.93 119.30 116.83 3inj s MET 393 Ca 0.04 2.09 -0.08 0.00 -1.71 0.00 0.00 55.69 56.04 3inj s MET 393 Cb 0.07 -2.16 0.33 0.00 2.01 0.00 0.00 34.83 35.08 3inj s MET 393 CO 0.72 -1.18 1.74 1.15 -0.01 0.00 0.00 175.02 177.43 3inj h THR 394 N 1.27 0.74 0.00 2.05 2.02 -1.91 -1.53 112.91 115.55 3inj h THR 394 Ca -0.51 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3inj h THR 394 Cb 1.30 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3inj h THR 394 CO 0.57 0.08 0.00 2.30 0.37 0.00 0.00 175.52 178.83 3inj n ILE 395 N -4.99 0.89 1.17 3.11 -5.35 -1.26 -1.19 119.36 111.74 3inj n ILE 395 Ca 0.10 0.31 0.12 0.00 -0.27 0.00 0.00 62.75 63.02 3inj n ILE 395 Cb 0.31 -1.25 0.23 0.00 -1.74 0.00 0.00 39.64 37.20 3inj n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3inj n ALA 396 N -1.75 2.91 0.00 -1.28 0.00 -0.59 -4.52 120.51 115.27 3inj n ALA 396 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3inj n ALA 396 Cb 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3inj n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3inj n LYS 397 N 0.29 0.93 -3.78 0.00 5.02 -0.66 -4.97 118.16 114.98 3inj n LYS 397 Ca 0.14 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.06 3inj n LYS 397 Cb 0.45 -0.96 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 3inj n LYS 397 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3inj s GLU 398 N -1.92 3.63 -0.07 1.97 2.02 -0.34 -4.90 118.70 119.10 3inj s GLU 398 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 3inj s GLU 398 Cb 0.00 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 3inj s GLU 398 CO 0.00 0.70 1.88 -2.00 0.02 0.00 0.00 175.26 175.86 3inj s GLU 399 N -0.85 3.91 -0.06 1.61 2.12 -1.26 -4.79 118.70 119.37 3inj s GLU 399 Ca 0.16 2.25 0.02 0.00 0.36 0.00 0.00 54.97 57.76 3inj s GLU 399 Cb -0.13 -4.14 -0.25 0.00 0.26 0.00 0.00 34.13 29.87 3inj s GLU 399 CO 0.05 -1.20 0.60 0.82 -0.54 0.00 0.00 175.26 174.99 3inj h ILE 400 N 5.99 0.83 -5.64 -3.70 2.04 -1.92 -3.49 117.51 111.62 3inj h ILE 400 Ca -0.43 -2.59 -0.37 0.00 1.00 0.00 0.00 64.86 62.47 3inj h ILE 400 Cb 1.21 2.52 0.14 0.00 -0.74 0.00 0.00 36.82 39.95 3inj h ILE 400 CO 0.96 0.71 -0.68 0.33 0.00 0.00 0.00 178.15 179.47 3inj n PHE 401 N -3.29 -2.62 -3.84 1.37 -0.00 -1.26 -4.68 117.46 103.13 3inj n PHE 401 Ca -0.22 0.96 -0.10 0.00 -0.00 0.00 0.00 57.45 58.09 3inj n PHE 401 Cb 1.05 -4.93 -0.00 0.00 -0.00 0.00 0.00 39.48 35.59 3inj n PHE 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3inj n GLY 402 N -1.74 1.71 2.39 7.13 0.00 -1.20 -4.25 105.19 109.24 3inj n GLY 402 Ca -0.07 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 3inj n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3inj n PRO 403 N -0.48 3.73 -3.96 1.61 -0.05 -1.19 -4.37 135.00 130.29 3inj n PRO 403 Ca -0.03 -2.44 -0.29 0.00 -0.05 0.00 0.00 63.50 60.68 3inj n PRO 403 Cb 0.51 -2.84 -0.16 0.00 -0.05 0.00 0.00 33.50 30.96 3inj n PRO 403 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3inj s VAL 404 N 1.81 1.42 -0.11 0.52 1.01 -1.26 -0.51 120.40 123.29 3inj s VAL 404 Ca 0.65 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3inj s VAL 404 Cb 0.17 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3inj s VAL 404 CO -0.07 0.21 0.18 -0.32 0.00 0.00 0.00 175.10 175.10 3inj s MET 405 N 1.51 3.59 -0.23 2.72 1.75 0.20 -4.98 119.30 123.85 3inj s MET 405 Ca 0.01 -0.06 -0.03 0.00 -1.25 0.00 0.00 55.69 54.36 3inj s MET 405 Cb -0.15 -3.22 0.01 0.00 2.84 0.00 0.00 34.83 34.31 3inj s MET 405 CO -0.08 0.71 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.30 3inj s GLN 406 N -0.88 3.14 -0.20 4.11 1.11 -1.26 -0.02 119.66 125.66 3inj s GLN 406 Ca 0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 55.36 54.71 3inj s GLN 406 Cb -0.13 -3.00 -0.02 0.00 -1.01 0.00 0.00 33.01 28.86 3inj s GLN 406 CO 0.05 -0.29 -0.04 0.42 0.01 0.00 0.00 175.29 175.44 3inj s ILE 407 N 1.41 3.55 0.22 1.08 1.01 -0.14 -0.77 121.20 127.56 3inj s ILE 407 Ca 0.04 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.35 3inj s ILE 407 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 3inj s ILE 407 CO -0.04 0.44 -0.20 -0.76 0.00 0.00 0.00 174.94 174.38 3inj s LEU 408 N 1.07 2.58 -0.07 2.97 1.02 0.49 -1.65 118.68 125.09 3inj s LEU 408 Ca 0.01 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.32 3inj s LEU 408 Cb -0.15 -1.24 -0.02 0.00 0.02 0.00 0.00 46.19 44.80 3inj s LEU 408 CO 0.00 0.09 -0.12 -0.75 0.02 0.00 0.00 176.35 175.59 3inj s LYS 409 N -2.95 2.75 0.11 1.70 2.20 -1.26 -0.66 119.74 121.63 3inj s LYS 409 Ca 0.24 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3inj s LYS 409 Cb -0.07 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 3inj s LYS 409 CO 0.12 0.55 -0.00 -0.59 -0.36 0.00 0.00 175.35 175.07 3inj s PHE 410 N -0.52 0.84 -0.16 4.03 -0.12 -1.00 -4.89 117.98 116.16 3inj s PHE 410 Ca 0.07 -1.08 -0.14 0.00 -0.05 0.00 0.00 56.93 55.73 3inj s PHE 410 Cb -0.12 -0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 41.70 3inj s PHE 410 CO 0.02 -0.35 -0.29 1.17 -0.05 0.00 0.00 175.22 175.72 3inj n LYS 411 N -0.06 0.45 -4.05 1.99 4.81 -1.26 -0.91 118.16 119.13 3inj n LYS 411 Ca -0.09 0.18 -0.23 0.00 -0.87 0.00 0.00 58.31 57.30 3inj n LYS 411 Cb 0.62 -1.27 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 3inj n LYS 411 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3inj s THR 412 N -2.64 2.95 0.22 3.15 -4.23 -1.26 -4.79 115.64 109.04 3inj s THR 412 Ca -0.26 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 3inj s THR 412 Cb 0.06 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 3inj s THR 412 CO 0.37 -0.15 1.54 -0.29 -0.54 0.00 0.00 174.62 175.55 3inj h ILE 413 N 1.48 1.35 -0.26 2.99 2.10 -1.99 -2.19 117.51 120.99 3inj h ILE 413 Ca -0.43 -1.86 -0.08 0.00 1.08 0.00 0.00 64.86 63.57 3inj h ILE 413 Cb 1.25 1.87 -0.01 0.00 -1.09 0.00 0.00 36.82 38.85 3inj h ILE 413 CO 0.63 0.56 -0.17 -0.33 -1.08 0.00 0.00 178.15 177.77 3inj h GLU 414 N 0.30 0.57 -0.48 2.19 3.07 -2.00 -2.28 114.58 115.95 3inj h GLU 414 Ca 0.00 -0.27 0.05 0.00 -0.50 0.00 0.00 59.36 58.65 3inj h GLU 414 Cb 1.08 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 3inj h GLU 414 CO 0.10 0.84 0.20 1.49 -1.40 0.00 0.00 179.01 180.24 3inj h GLU 415 N 0.30 0.39 -0.30 2.33 4.81 -1.95 -2.86 114.58 117.29 3inj h GLU 415 Ca 0.05 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 3inj h GLU 415 Cb 0.69 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3inj h GLU 415 CO 0.05 0.25 -0.49 -0.24 -0.73 0.00 0.00 179.01 177.85 3inj h VAL 416 N 0.40 1.28 -0.51 0.32 3.04 -1.31 -1.91 116.25 117.56 3inj h VAL 416 Ca 0.22 -1.68 0.08 0.00 -1.01 0.00 0.00 66.70 64.31 3inj h VAL 416 Cb 0.19 1.56 -0.07 0.00 -2.01 0.00 0.00 31.29 30.96 3inj h VAL 416 CO -0.20 0.55 0.13 0.58 -1.01 0.00 0.00 177.57 177.63 3inj h VAL 417 N 0.66 0.75 -0.27 1.51 2.07 -1.31 0.28 116.25 119.94 3inj h VAL 417 Ca 0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3inj h VAL 417 Cb 1.08 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3inj h VAL 417 CO 0.11 0.05 0.08 1.23 0.02 0.00 0.00 177.57 179.06 3inj h GLY 418 N 0.28 0.45 1.27 2.17 0.00 -1.26 -1.59 103.07 104.40 3inj h GLY 418 Ca 0.25 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 3inj h GLY 418 CO -0.30 0.26 -0.06 3.21 0.00 0.00 0.00 176.54 179.64 3inj h ARG 419 N 0.26 0.87 -0.53 4.80 3.08 -1.01 -1.22 114.38 120.64 3inj h ARG 419 Ca 0.09 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3inj h ARG 419 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3inj h ARG 419 CO -0.00 0.90 0.03 0.00 -1.07 0.00 0.00 179.97 179.83 3inj h ALA 420 N 1.14 0.71 -0.00 0.04 0.00 -0.34 -2.89 119.26 117.91 3inj h ALA 420 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3inj h ALA 420 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3inj h ALA 420 CO 0.03 0.50 -0.04 0.09 0.00 0.00 0.00 179.25 179.83 3inj n ASN 421 N -4.32 0.04 -3.70 0.00 3.02 -0.61 -4.42 115.26 105.28 3inj n ASN 421 Ca 0.02 0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 54.53 3inj n ASN 421 Cb 0.30 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3inj n ASN 421 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3inj n ASN 422 N -1.48 4.57 -3.71 6.41 5.15 -0.47 -4.82 115.26 120.91 3inj n ASN 422 Ca 0.08 -2.85 -0.13 0.00 -0.60 0.00 0.00 54.58 51.08 3inj n ASN 422 Cb 0.33 -1.62 -0.07 0.00 -0.53 0.00 0.00 39.78 37.89 3inj n ASN 422 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3inj s SER 423 N 2.77 -0.22 0.00 1.20 0.15 -1.26 -5.02 113.70 111.33 3inj s SER 423 Ca 0.49 -0.02 0.27 0.00 0.70 0.00 0.00 55.95 57.39 3inj s SER 423 Cb 0.14 0.38 0.90 0.00 -1.71 0.00 0.00 66.02 65.73 3inj s SER 423 CO -0.08 -0.59 1.67 0.35 1.20 0.00 0.00 173.24 175.79 3inj n THR 424 N 0.73 0.00 -2.63 6.45 -2.24 -1.26 -4.86 114.28 110.48 3inj n THR 424 Ca -0.19 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 3inj n THR 424 Cb 0.59 0.11 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 3inj n THR 424 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3inj s TYR 425 N -2.66 3.04 -0.05 4.78 4.12 -1.26 -0.74 117.35 124.58 3inj s TYR 425 Ca 0.22 0.24 0.02 0.00 0.02 0.00 0.00 57.07 57.57 3inj s TYR 425 Cb 0.19 -2.69 0.07 0.00 -1.52 0.00 0.00 41.96 38.00 3inj s TYR 425 CO 0.55 -0.80 0.65 0.41 0.02 0.00 0.00 175.55 176.38 3inj n GLY 426 N -2.40 -0.48 0.10 0.71 0.00 -1.23 -4.80 105.19 97.09 3inj n GLY 426 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3inj n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3inj h LEU 427 N 0.16 -0.10 -8.44 0.99 5.85 -1.83 0.11 115.31 112.06 3inj h LEU 427 Ca -0.08 -0.44 -0.20 0.00 0.84 0.00 0.00 57.88 58.00 3inj h LEU 427 Cb 1.03 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 3inj h LEU 427 CO -0.03 0.55 -0.21 0.00 -0.34 0.00 0.00 178.44 178.41 3inj s ALA 428 N -3.10 0.48 0.02 1.25 0.00 -1.26 -1.79 121.76 117.36 3inj s ALA 428 Ca -0.12 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.23 3inj s ALA 428 Cb -0.01 1.15 0.10 0.00 0.00 0.00 0.00 23.12 24.36 3inj s ALA 428 CO 0.43 -0.79 0.86 0.00 0.00 0.00 0.00 175.76 176.26 3inj s ALA 429 N -3.45 -1.79 0.04 0.00 0.00 0.28 -4.04 121.76 112.80 3inj s ALA 429 Ca 0.29 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 3inj s ALA 429 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3inj s ALA 429 CO 0.16 -0.71 -0.01 0.00 0.00 0.00 0.00 175.76 175.19 3inj s ALA 430 N -3.20 0.28 -0.06 0.00 0.00 -0.33 -0.84 121.76 117.61 3inj s ALA 430 Ca 0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3inj s ALA 430 Cb -0.01 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3inj s ALA 430 CO -0.09 -0.28 -0.01 0.08 0.00 0.00 0.00 175.76 175.46 3inj s VAL 431 N -2.80 0.36 -0.24 0.00 1.01 0.13 -0.22 120.40 118.63 3inj s VAL 431 Ca -0.03 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3inj s VAL 431 Cb -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3inj s VAL 431 CO -0.06 0.23 -0.02 -0.36 0.00 0.00 0.00 175.10 174.89 3inj s PHE 432 N 1.60 3.03 -0.11 5.22 0.40 0.46 -0.20 117.98 128.37 3inj s PHE 432 Ca -0.01 -1.11 -0.30 0.00 -0.60 0.00 0.00 56.93 54.91 3inj s PHE 432 Cb -0.13 -2.12 0.12 0.00 0.51 0.00 0.00 43.02 41.40 3inj s PHE 432 CO -0.03 -0.60 0.97 -0.08 0.70 0.00 0.00 175.22 176.17 3inj s THR 433 N 1.44 0.00 -0.99 0.64 -1.32 -1.26 -1.94 115.64 112.21 3inj s THR 433 Ca 0.04 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.74 3inj s THR 433 Cb -0.15 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.68 3inj s THR 433 CO -0.02 0.00 1.06 0.29 -2.21 0.00 0.00 174.62 173.74 3inj n LYS 434 N 0.42 0.01 -2.91 7.08 5.02 -1.23 -4.88 118.16 121.67 3inj n LYS 434 Ca -0.10 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 3inj n LYS 434 Cb 0.59 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 3inj n LYS 434 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3inj s ASP 435 N -3.02 6.84 0.12 4.39 -1.08 -1.26 -4.98 116.67 117.68 3inj s ASP 435 Ca 0.09 1.04 -0.30 0.00 -0.52 0.00 0.00 52.55 52.86 3inj s ASP 435 Cb 0.16 -2.43 -0.09 0.00 -1.46 0.00 0.00 42.92 39.11 3inj s ASP 435 CO 0.82 -0.47 1.59 0.25 0.52 0.00 0.00 175.17 177.88 3inj h LEU 436 N 8.90 -1.25 -1.23 -1.34 5.85 -2.00 -1.80 115.31 122.44 3inj h LEU 436 Ca -0.25 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3inj h LEU 436 Cb 1.11 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 3inj h LEU 436 CO 0.85 -0.47 0.54 0.44 -0.34 0.00 0.00 178.44 179.46 3inj h ASP 437 N -0.60 0.86 -0.42 1.25 3.45 -1.99 -1.14 116.42 117.82 3inj h ASP 437 Ca 0.04 -0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.36 3inj h ASP 437 Cb 0.66 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3inj h ASP 437 CO -0.29 0.59 -0.23 0.11 -1.57 0.00 0.00 179.24 177.85 3inj h LYS 438 N 1.00 0.94 -0.53 3.56 1.57 -1.93 -0.05 116.57 121.13 3inj h LYS 438 Ca 0.33 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3inj h LYS 438 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3inj h LYS 438 CO -0.10 1.06 -0.11 0.00 -0.57 0.00 0.00 179.45 179.74 3inj h ALA 439 N 0.92 0.73 -0.21 3.86 0.00 -0.71 -1.35 119.26 122.50 3inj h ALA 439 Ca 0.10 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3inj h ALA 439 Cb 0.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3inj h ALA 439 CO 0.07 0.65 -0.55 -0.91 0.00 0.00 0.00 179.25 178.51 3inj h ASN 440 N 0.89 0.71 0.22 0.00 2.35 -1.16 -1.39 115.58 117.20 3inj h ASN 440 Ca 0.14 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3inj h ASN 440 Cb 0.68 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3inj h ASN 440 CO 0.05 1.11 -0.10 0.22 -1.65 0.00 0.00 177.43 177.06 3inj h TYR 441 N 0.49 -0.27 -0.39 1.19 3.20 -0.91 -2.75 116.97 117.53 3inj h TYR 441 Ca 0.01 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3inj h TYR 441 Cb 1.11 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 3inj h TYR 441 CO 0.05 -0.14 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.02 3inj h LEU 442 N -0.33 0.98 -1.00 2.82 3.38 -1.28 -1.91 115.31 117.98 3inj h LEU 442 Ca -0.03 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3inj h LEU 442 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3inj h LEU 442 CO 0.05 1.23 0.27 0.77 0.09 0.00 0.00 178.44 180.85 3inj h SER 443 N 0.74 0.91 -0.37 -0.43 4.64 -1.29 -0.80 113.55 116.96 3inj h SER 443 Ca 0.07 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 3inj h SER 443 Cb 0.94 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3inj h SER 443 CO 0.09 0.81 -0.16 -0.61 -0.87 0.00 0.00 176.83 176.09 3inj h GLN 444 N 0.98 0.75 0.00 4.77 4.15 -1.45 -3.34 115.11 120.97 3inj h GLN 444 Ca 0.23 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 3inj h GLN 444 Cb 0.18 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3inj h GLN 444 CO -0.02 0.93 -0.48 0.00 -1.93 0.00 0.00 178.83 177.33 3inj h ALA 445 N 0.80 0.72 -2.35 3.38 0.00 -0.91 -3.45 119.26 117.44 3inj h ALA 445 Ca 0.08 -0.40 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 3inj h ALA 445 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3inj h ALA 445 CO 0.05 0.53 0.68 -0.51 0.00 0.00 0.00 179.25 180.01 3inj s LEU 446 N -6.37 4.30 -1.25 0.00 1.43 -0.34 -4.95 118.68 111.49 3inj s LEU 446 Ca 0.04 1.89 -0.13 0.00 -1.03 0.00 0.00 54.13 54.90 3inj s LEU 446 Cb 0.07 -3.56 0.16 0.00 0.03 0.00 0.00 46.19 42.89 3inj s LEU 446 CO 0.74 -0.57 1.65 0.00 0.23 0.00 0.00 176.35 178.40 3inj n GLN 447 N 4.96 3.42 -3.84 1.70 6.02 -1.26 -4.93 117.38 123.45 3inj n GLN 447 Ca 0.11 -3.63 -0.12 0.00 -0.01 0.00 0.00 57.00 53.35 3inj n GLN 447 Cb 0.46 -3.05 -0.09 0.00 1.02 0.00 0.00 30.24 28.58 3inj n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3inj s ALA 448 N 1.43 -0.45 0.22 -1.58 0.00 -1.26 -4.58 121.76 115.54 3inj s ALA 448 Ca 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 3inj s ALA 448 Cb 0.03 0.13 0.19 0.00 0.00 0.00 0.00 23.12 23.47 3inj s ALA 448 CO 0.01 -0.25 1.77 0.78 0.00 0.00 0.00 175.76 178.06 3inj h GLY 449 N 4.02 1.21 -5.71 0.00 0.00 -0.38 -3.42 103.07 98.79 3inj h GLY 449 Ca -0.31 -0.70 -0.48 0.00 0.00 0.00 0.00 47.33 45.84 3inj h GLY 449 CO 0.42 0.65 -0.80 -1.59 0.00 0.00 0.00 176.54 175.22 3inj s THR 450 N -5.41 1.00 -0.22 4.70 2.01 -0.92 -4.76 115.64 112.04 3inj s THR 450 Ca -0.12 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3inj s THR 450 Cb 0.15 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.78 3inj s THR 450 CO 0.84 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.27 3inj s VAL 451 N 0.45 2.48 0.05 3.82 1.01 -1.26 -0.56 120.40 126.39 3inj s VAL 451 Ca -0.09 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 3inj s VAL 451 Cb -0.13 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 3inj s VAL 451 CO 0.02 0.29 0.41 0.26 0.00 0.00 0.00 175.10 176.09 3inj s TRP 452 N 1.28 3.64 -0.22 5.22 0.51 -0.02 -4.98 118.94 124.37 3inj s TRP 452 Ca 0.01 0.89 0.01 0.00 -2.12 0.00 0.00 56.10 54.88 3inj s TRP 452 Cb -0.16 -2.22 0.05 0.00 -0.81 0.00 0.00 33.47 30.33 3inj s TRP 452 CO -0.08 0.57 -0.08 0.08 -0.51 0.00 0.00 176.95 176.93 3inj s VAL 453 N -1.27 1.62 -1.49 4.03 1.01 -1.26 -0.70 120.40 122.34 3inj s VAL 453 Ca 0.29 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3inj s VAL 453 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3inj s VAL 453 CO 0.16 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.88 3inj n ASN 454 N 4.66 -4.77 -2.92 3.32 3.02 0.72 -4.97 115.26 114.32 3inj n ASN 454 Ca -0.13 0.18 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 3inj n ASN 454 Cb 0.45 -3.77 0.02 0.00 -0.61 0.00 0.00 39.78 35.87 3inj n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3inj s TYR 456 N -2.34 -0.58 -1.68 0.00 5.04 -1.26 -4.74 117.35 111.78 3inj s TYR 456 Ca 0.18 1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 3inj s TYR 456 Cb -0.04 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.61 3inj s TYR 456 CO 0.13 -0.54 0.16 -0.25 -1.34 0.00 0.00 175.55 173.71 3inj n ASP 457 N 1.16 -5.83 -4.44 4.32 8.00 -1.26 -4.92 116.55 113.57 3inj n ASP 457 Ca -0.19 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 3inj n ASP 457 Cb 0.57 -4.82 -0.04 0.00 -0.02 0.00 0.00 41.12 36.81 3inj n ASP 457 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3inj s VAL 458 N -3.05 4.38 0.03 2.53 1.01 -1.26 -5.02 120.40 119.02 3inj s VAL 458 Ca 0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3inj s VAL 458 Cb -0.04 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3inj s VAL 458 CO 0.10 -1.43 0.05 -0.36 0.00 0.00 0.00 175.10 173.46 3inj s PHE 459 N 3.89 3.17 -0.02 5.22 0.40 -1.26 -5.10 117.98 124.28 3inj s PHE 459 Ca 0.21 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 3inj s PHE 459 Cb -0.17 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3inj s PHE 459 CO 0.09 0.51 0.07 0.20 0.70 0.00 0.00 175.22 176.80 3inj s GLY 460 N -1.91 0.01 0.44 4.36 0.00 -1.26 -5.01 107.32 103.95 3inj s GLY 460 Ca 0.24 0.02 0.30 0.00 0.00 0.00 0.00 44.72 45.28 3inj s GLY 460 CO 0.15 -0.03 1.91 0.00 0.00 0.00 0.00 173.10 175.13 3inj h ALA 461 N 5.46 1.00 0.00 3.20 0.00 -1.95 -1.32 119.26 125.65 3inj h ALA 461 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3inj h ALA 461 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3inj h ALA 461 CO 0.44 0.00 -0.71 1.96 0.00 0.00 0.00 179.25 180.93 3inj h GLN 462 N 0.00 0.00 -5.25 0.00 7.50 -1.94 -0.31 115.11 115.11 3inj h GLN 462 Ca 0.00 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.51 3inj h GLN 462 Cb 0.02 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.34 3inj h GLN 462 CO 0.00 0.52 -0.65 -1.12 -1.50 0.00 0.00 178.83 176.08 3inj s SER 463 N -6.37 4.95 0.63 1.46 0.01 -0.50 -3.87 113.70 110.01 3inj s SER 463 Ca 0.02 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 3inj s SER 463 Cb 0.08 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 3inj s SER 463 CO 0.76 0.14 1.16 -2.16 0.41 0.00 0.00 173.24 173.56 3inj s PRO 464 N 0.53 2.82 -0.01 12.44 0.04 -1.26 -4.36 135.00 145.20 3inj s PRO 464 Ca -0.01 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.67 3inj s PRO 464 Cb -0.14 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3inj s PRO 464 CO 0.02 -1.28 -0.01 0.12 0.04 0.00 0.00 177.00 175.89 3inj s PHE 465 N -1.94 0.22 0.00 0.56 5.36 0.11 -4.95 117.98 117.34 3inj s PHE 465 Ca 0.73 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 3inj s PHE 465 Cb -0.26 -0.21 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 3inj s PHE 465 CO 0.37 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 3inj n GLY 466 N 3.37 0.98 3.90 13.12 0.00 -1.26 -0.93 105.19 124.36 3inj n GLY 466 Ca -0.17 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3inj n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3inj s GLY 467 N 0.00 2.10 0.51 -0.02 0.00 -1.26 -3.93 107.32 104.72 3inj s GLY 467 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 3inj s GLY 467 CO 0.00 -0.41 0.75 -0.19 0.00 0.00 0.00 173.10 173.25 3inj s TYR 468 N -1.84 3.10 0.00 1.90 1.51 0.26 -4.39 117.35 117.89 3inj s TYR 468 Ca 0.43 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 3inj s TYR 468 Cb -0.11 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 3inj s TYR 468 CO 0.26 -0.62 0.00 1.63 -1.11 0.00 0.00 175.55 175.70 3inj n LYS 469 N -2.26 0.00 -0.29 -0.62 5.02 -1.26 -1.93 118.16 116.82 3inj n LYS 469 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 3inj n LYS 469 Cb 0.58 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.78 3inj n LYS 469 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3inj n MET 470 N 14.00 2.27 -0.02 1.97 2.81 0.08 -3.68 117.12 134.55 3inj n MET 470 Ca 0.00 -1.51 0.13 0.00 -1.81 0.00 0.00 57.70 54.51 3inj n MET 470 Cb 0.00 -1.49 0.61 0.00 -0.71 0.00 0.00 33.22 31.63 3inj n MET 470 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3inj n SER 471 N 0.57 0.95 0.00 7.83 7.64 -0.81 -4.54 113.62 125.27 3inj n SER 471 Ca 0.14 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.62 3inj n SER 471 Cb 0.46 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3inj n SER 471 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3inj n GLY 472 N 1.07 0.79 3.29 0.23 0.00 -1.24 -0.53 105.19 108.81 3inj n GLY 472 Ca 0.19 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 3inj n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 473 N -2.58 -0.30 0.00 1.61 1.04 -0.32 -4.50 113.70 108.66 3inj s SER 473 Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3inj s SER 473 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3inj s SER 473 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3inj n GLY 474 N 1.36 -0.81 3.26 7.32 0.00 -1.26 -2.00 105.19 113.06 3inj n GLY 474 Ca -0.20 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 3inj n GLY 474 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3inj s ARG 475 N -2.46 1.46 0.33 1.61 1.81 -1.26 -4.32 118.95 116.12 3inj s ARG 475 Ca 0.00 -0.96 0.08 0.00 -1.72 0.00 0.00 55.73 53.13 3inj s ARG 475 Cb 0.00 -1.58 -0.04 0.00 -0.45 0.00 0.00 34.95 32.89 3inj s ARG 475 CO 0.00 0.40 0.18 -1.21 -0.68 0.00 0.00 175.30 174.00 3inj s GLU 476 N -1.16 2.51 0.26 3.54 2.02 -0.11 -4.09 118.70 121.67 3inj s GLU 476 Ca 0.08 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.64 3inj s GLU 476 Cb -0.09 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.85 3inj s GLU 476 CO 0.02 0.14 0.00 1.28 0.02 0.00 0.00 175.26 176.71 3inj n LEU 477 N -1.21 -0.44 0.00 1.80 4.77 -1.26 0.04 117.00 120.69 3inj n LEU 477 Ca -0.03 1.03 0.04 0.00 -0.03 0.00 0.00 56.01 57.02 3inj n LEU 477 Cb 0.60 -1.69 -0.01 0.00 -2.33 0.00 0.00 43.42 39.99 3inj n LEU 477 CO 0.43 -1.14 -0.06 0.61 -1.33 0.00 0.00 177.39 175.90 3inj n GLY 478 N -3.18 -1.59 0.29 -0.72 0.00 -0.13 -1.40 105.19 98.46 3inj n GLY 478 Ca -0.03 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.84 3inj n GLY 478 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3inj h GLU 479 N 0.00 0.33 0.00 1.61 4.81 -1.87 -2.59 114.58 116.86 3inj h GLU 479 Ca 0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3inj h GLU 479 Cb 0.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3inj h GLU 479 CO 0.00 0.24 -0.06 1.88 -0.73 0.00 0.00 179.01 180.34 3inj h TYR 480 N 0.34 0.00 0.00 0.92 -1.99 -1.93 -1.87 116.97 112.44 3inj h TYR 480 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3inj h TYR 480 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3inj h TYR 480 CO 0.00 0.06 0.00 0.41 -0.00 0.00 0.00 178.16 178.64 3inj n GLY 481 N -1.26 -1.12 0.15 3.88 0.00 -0.50 -2.18 105.19 104.16 3inj n GLY 481 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3inj n GLY 481 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3inj h LEU 482 N 0.00 0.00 -0.77 0.99 3.38 -1.51 -3.39 115.31 114.02 3inj h LEU 482 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3inj h LEU 482 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3inj h LEU 482 CO 0.00 0.23 0.49 1.56 0.09 0.00 0.00 178.44 180.80 3inj h GLN 483 N 0.00 0.93 0.00 1.13 4.20 -1.58 -1.76 115.11 118.02 3inj h GLN 483 Ca -0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3inj h GLN 483 Cb 1.20 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3inj h GLN 483 CO 0.02 0.61 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 3inj n ALA 484 N -2.32 1.86 -0.49 3.87 0.00 -1.26 -2.89 120.51 119.26 3inj n ALA 484 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.52 3inj n ALA 484 Cb 0.08 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.41 3inj n ALA 484 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3inj n TYR 485 N -1.45 0.50 -5.12 0.00 4.02 -0.67 -4.91 117.16 109.53 3inj n TYR 485 Ca 0.05 -0.67 -0.31 0.00 -0.01 0.00 0.00 57.90 56.97 3inj n TYR 485 Cb 0.19 -0.13 -0.17 0.00 -0.02 0.00 0.00 39.34 39.21 3inj n TYR 485 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3inj s THR 486 N -1.76 1.90 -0.18 -0.72 2.01 -1.14 -2.56 115.64 113.19 3inj s THR 486 Ca 0.26 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 3inj s THR 486 Cb 0.19 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3inj s THR 486 CO 0.10 0.53 0.04 -0.70 -0.69 0.00 0.00 174.62 173.90 3inj s GLU 487 N 0.28 3.89 -0.19 4.92 2.56 0.12 -4.72 118.70 125.55 3inj s GLU 487 Ca -0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 54.97 54.32 3inj s GLU 487 Cb -0.17 -3.16 -0.05 0.00 2.00 0.00 0.00 34.13 32.75 3inj s GLU 487 CO 0.07 0.23 0.20 0.08 -0.56 0.00 0.00 175.26 175.28 3inj s VAL 488 N 0.46 5.36 -0.18 3.70 1.01 -1.26 -0.93 120.40 128.56 3inj s VAL 488 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3inj s VAL 488 Cb -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3inj s VAL 488 CO 0.01 0.40 -0.16 -0.75 0.00 0.00 0.00 175.10 174.60 3inj s LYS 489 N 0.54 3.12 -0.03 2.72 2.20 -0.61 -4.97 119.74 122.71 3inj s LYS 489 Ca 0.11 -0.77 -0.21 0.00 -0.36 0.00 0.00 55.97 54.73 3inj s LYS 489 Cb -0.12 -2.66 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3inj s LYS 489 CO 0.01 -0.14 0.62 0.99 -0.36 0.00 0.00 175.35 176.47 3inj s THR 490 N 1.18 4.96 -0.15 3.43 2.01 -1.26 -0.16 115.64 125.65 3inj s THR 490 Ca 0.02 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.33 3inj s THR 490 Cb -0.14 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.42 3inj s THR 490 CO -0.07 0.36 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.32 3inj s VAL 491 N 0.15 2.05 -0.14 3.82 1.01 0.99 -4.98 120.40 123.30 3inj s VAL 491 Ca 0.33 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3inj s VAL 491 Cb -0.18 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3inj s VAL 491 CO 0.17 0.55 -0.16 -0.89 0.00 0.00 0.00 175.10 174.77 3inj s THR 492 N 0.90 1.66 -0.13 3.92 2.01 -1.26 -1.13 115.64 121.62 3inj s THR 492 Ca -0.05 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.27 3inj s THR 492 Cb -0.15 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.84 3inj s THR 492 CO -0.04 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.49 3inj s VAL 493 N 1.28 1.82 0.29 3.82 1.01 0.01 -4.95 120.40 123.68 3inj s VAL 493 Ca 0.01 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3inj s VAL 493 Cb -0.14 -1.63 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 3inj s VAL 493 CO -0.08 0.50 1.60 -0.75 0.00 0.00 0.00 175.10 176.37 3inj s LYS 494 N 0.94 4.12 0.15 2.72 2.20 -1.26 -0.34 119.74 128.27 3inj s LYS 494 Ca -0.06 2.59 0.07 0.00 -0.36 0.00 0.00 55.97 58.21 3inj s LYS 494 Cb -0.15 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 3inj s LYS 494 CO -0.03 -0.64 -0.14 0.14 -0.36 0.00 0.00 175.35 174.32 3inj s VAL 495 N -0.00 1.50 0.17 4.02 -7.23 -0.28 -4.83 120.40 113.75 3inj s VAL 495 Ca 0.63 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 3inj s VAL 495 Cb -0.48 -1.76 0.07 0.00 0.56 0.00 0.00 36.38 34.77 3inj s VAL 495 CO 0.48 -0.49 1.71 -0.65 -0.31 0.00 0.00 175.10 175.84 3inj h PRO 496 N 3.12 0.15 -1.02 4.82 0.11 -1.96 -3.42 132.00 133.80 3inj h PRO 496 Ca -0.39 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.77 3inj h PRO 496 Cb 1.20 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 3inj h PRO 496 CO 0.55 0.10 -0.31 -1.14 -0.21 0.00 0.00 178.00 177.00 3inj s GLN 497 N -6.17 0.56 0.13 1.05 0.74 -1.26 -5.01 119.66 109.69 3inj s GLN 497 Ca -0.13 0.87 -0.31 0.00 0.05 0.00 0.00 55.36 55.83 3inj s GLN 497 Cb 0.14 0.45 -0.09 0.00 1.10 0.00 0.00 33.01 34.60 3inj s GLN 497 CO 0.71 -0.75 1.61 0.21 -0.55 0.00 0.00 175.29 176.53 3inj s LYS 498 N 2.84 4.21 0.16 1.67 2.36 -1.26 -5.03 119.74 124.69 3inj s LYS 498 Ca 0.18 2.35 0.08 0.00 -2.55 0.00 0.00 55.97 56.03 3inj s LYS 498 Cb -0.14 -3.34 -0.04 0.00 -1.05 0.00 0.00 37.83 33.26 3inj s LYS 498 CO -0.22 -0.66 -0.18 -0.80 1.55 0.00 0.00 175.35 175.04 3inj s ASN 499 N 1.69 2.61 0.00 1.43 0.01 -1.26 -4.97 114.94 114.45 3inj s ASN 499 Ca 0.72 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 3inj s ASN 499 Cb -0.42 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.09 3inj s ASN 499 CO 0.32 -0.05 0.50 -1.54 -1.51 0.00 0.00 177.10 174.81