#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bga s PRO 28 N 0.00 1.46 0.39 3.23 0.04 -1.26 -4.92 135.00 133.94 3bga s PRO 28 Ca 0.00 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.40 3bga s PRO 28 Cb 0.00 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.64 3bga s PRO 28 CO 0.00 -2.23 1.93 0.93 0.04 0.00 0.00 177.00 177.67 3bga h GLU 29 N -1.56 0.56 0.00 4.56 3.07 -1.97 -1.62 114.58 117.63 3bga h GLU 29 Ca -0.45 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3bga h GLU 29 Cb 1.26 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3bga h GLU 29 CO 0.48 0.37 0.00 -2.67 -1.40 0.00 0.00 179.01 175.79 3bga n TRP 30 N -4.50 0.00 0.14 4.33 4.27 -1.26 -1.72 117.44 118.70 3bga n TRP 30 Ca 0.13 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.81 3bga n TRP 30 Cb 0.40 0.00 0.12 0.00 -1.36 0.00 0.00 31.31 30.47 3bga n TRP 30 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3bga n GLN 31 N -0.77 1.87 -4.88 -2.67 1.13 -0.61 -1.40 117.38 110.04 3bga n GLN 31 Ca 0.09 -1.72 -0.33 0.00 -1.94 0.00 0.00 57.00 53.10 3bga n GLN 31 Cb 0.04 -1.28 -0.14 0.00 0.11 0.00 0.00 30.24 28.97 3bga n GLN 31 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3bga s SER 32 N -1.03 3.89 0.06 1.08 0.15 -0.70 -4.44 113.70 112.71 3bga s SER 32 Ca 0.21 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 56.79 3bga s SER 32 Cb 0.12 -1.27 0.97 0.00 -1.71 0.00 0.00 66.02 64.13 3bga s SER 32 CO 0.17 0.23 1.75 0.00 1.20 0.00 0.00 173.24 176.59 3bga n GLN 33 N 3.06 0.06 0.02 5.44 0.00 -1.26 -3.37 117.38 121.34 3bga n GLN 33 Ca -0.18 0.15 -0.11 0.00 0.00 0.00 0.00 57.00 56.86 3bga n GLN 33 Cb 0.52 -1.59 -0.14 0.00 0.00 0.00 0.00 30.24 29.04 3bga n GLN 33 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 3bga h TYR 34 N 0.00 0.17 0.00 2.61 0.05 -1.91 -3.39 116.97 114.49 3bga h TYR 34 Ca 0.00 -0.12 -0.60 0.00 0.05 0.00 0.00 58.73 58.06 3bga h TYR 34 Cb 0.45 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.20 3bga h TYR 34 CO 0.00 1.17 3.14 0.00 -1.05 0.00 0.00 178.16 181.42 3bga n ALA 35 N -2.57 5.74 0.37 3.88 0.00 -1.22 -4.61 120.51 122.10 3bga n ALA 35 Ca -0.14 -3.17 0.14 0.00 0.00 0.00 0.00 53.44 50.27 3bga n ALA 35 Cb 1.02 -3.35 0.44 0.00 0.00 0.00 0.00 19.45 17.56 3bga n ALA 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3bga h VAL 36 N 3.56 0.00 0.00 0.00 -1.51 -1.86 -3.41 116.25 113.03 3bga h VAL 36 Ca 0.64 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 3bga h VAL 36 Cb 0.39 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3bga h VAL 36 CO 1.75 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.70 3bga n GLY 37 N 0.60 0.88 3.24 5.19 0.00 -1.26 -1.82 105.19 112.02 3bga n GLY 37 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3bga n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bga s LEU 38 N 0.00 -0.16 -0.02 0.99 2.96 -1.12 -4.88 118.68 116.44 3bga s LEU 38 Ca 0.00 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3bga s LEU 38 Cb 0.00 1.26 0.00 0.00 0.50 0.00 0.00 46.19 47.95 3bga s LEU 38 CO 0.00 -0.20 0.00 0.59 -1.32 0.00 0.00 176.35 175.42 3bga n ASN 39 N 4.51 -5.20 -4.76 3.68 3.02 -1.26 -4.01 115.26 111.25 3bga n ASN 39 Ca -0.20 0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 3bga n ASN 39 Cb 0.54 -2.72 0.12 0.00 -0.61 0.00 0.00 39.78 37.11 3bga n ASN 39 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bga s LYS 40 N -1.50 1.44 0.42 3.52 1.02 -1.26 -4.72 119.74 118.67 3bga s LYS 40 Ca 0.00 0.62 -0.23 0.00 0.02 0.00 0.00 55.97 56.39 3bga s LYS 40 Cb 0.00 -1.85 -0.09 0.00 -0.52 0.00 0.00 37.83 35.37 3bga s LYS 40 CO 0.00 -2.06 1.03 -0.51 -0.92 0.00 0.00 175.35 172.89 3bga s LEU 41 N -6.05 4.04 0.54 3.17 1.02 -0.11 -4.98 118.68 116.31 3bga s LEU 41 Ca 0.63 1.96 -0.21 0.00 0.02 0.00 0.00 54.13 56.53 3bga s LEU 41 Cb -0.16 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.68 3bga s LEU 41 CO 0.55 -0.54 1.29 0.00 0.02 0.00 0.00 176.35 177.67 3bga s ALA 42 N -1.80 2.78 0.36 4.21 0.00 -1.26 -4.76 121.76 121.29 3bga s ALA 42 Ca 0.61 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 53.50 3bga s ALA 42 Cb -0.19 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 3bga s ALA 42 CO 0.24 -1.20 1.06 -2.30 0.00 0.00 0.00 175.76 173.55 3bga n PRO 43 N -1.05 1.50 -3.86 0.00 -0.02 -1.26 -4.98 135.00 125.33 3bga n PRO 43 Ca 0.11 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3bga n PRO 43 Cb 0.47 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3bga n PRO 43 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3bga s HIS 44 N -1.17 -0.14 0.53 6.00 -3.43 -1.26 -4.95 115.29 110.87 3bga s HIS 44 Ca 0.60 -0.33 -0.17 0.00 -0.80 0.00 0.00 55.06 54.36 3bga s HIS 44 Cb -0.60 0.70 -0.07 0.00 -1.43 0.00 0.00 32.58 31.18 3bga s HIS 44 CO 0.59 -1.26 1.01 -0.08 -2.00 0.00 0.00 174.74 172.99 3bga s THR 45 N -3.78 4.28 0.16 -5.38 -1.32 -1.05 -3.14 115.64 105.42 3bga s THR 45 Ca 0.12 1.12 -0.32 0.00 -1.21 0.00 0.00 61.69 61.41 3bga s THR 45 Cb -0.06 -3.60 -0.10 0.00 -1.51 0.00 0.00 72.50 67.22 3bga s THR 45 CO 0.07 -0.60 1.62 -0.31 -2.21 0.00 0.00 174.62 173.20 3bga s TYR 46 N -2.52 2.93 -0.46 9.09 2.02 -1.26 -4.77 117.35 122.38 3bga s TYR 46 Ca 0.61 0.51 0.08 0.00 -0.37 0.00 0.00 57.07 57.90 3bga s TYR 46 Cb -0.12 -3.99 0.38 0.00 -0.40 0.00 0.00 41.96 37.83 3bga s TYR 46 CO 0.31 -3.73 0.94 1.33 -1.57 0.00 0.00 175.55 172.84 3bga n VAL 47 N 4.08 1.88 -1.92 0.71 0.24 -1.26 -4.93 118.33 117.13 3bga n VAL 47 Ca 0.15 -4.82 -0.42 0.00 -2.04 0.00 0.00 64.34 57.20 3bga n VAL 47 Cb 0.38 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.91 3bga n VAL 47 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3bga s TRP 48 N -3.22 3.05 0.10 6.34 0.51 -1.26 -4.96 118.94 119.50 3bga s TRP 48 Ca 0.43 0.63 -0.30 0.00 -2.12 0.00 0.00 56.10 54.74 3bga s TRP 48 Cb 0.35 -3.94 -0.06 0.00 -0.81 0.00 0.00 33.47 29.02 3bga s TRP 48 CO -0.11 -3.44 1.01 -1.25 -0.51 0.00 0.00 176.95 172.65 3bga s PRO 49 N 1.06 4.63 0.20 4.98 0.04 -1.26 -4.58 135.00 140.07 3bga s PRO 49 Ca 0.70 1.53 0.09 0.00 0.04 0.00 0.00 61.00 63.35 3bga s PRO 49 Cb -0.44 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 3bga s PRO 49 CO 0.32 0.10 -0.08 0.71 0.04 0.00 0.00 177.00 178.09 3bga s TYR 50 N 0.23 2.64 -0.16 0.56 2.02 0.28 -4.59 117.35 118.34 3bga s TYR 50 Ca 0.49 -0.22 0.14 0.00 -0.37 0.00 0.00 57.07 57.11 3bga s TYR 50 Cb -0.25 -1.26 -0.20 0.00 -0.40 0.00 0.00 41.96 39.86 3bga s TYR 50 CO 0.30 0.55 0.06 0.00 -1.57 0.00 0.00 175.55 174.89 3bga n ALA 51 N -0.20 1.61 -4.04 3.71 0.00 -1.26 -4.27 120.51 116.07 3bga n ALA 51 Ca -0.09 -1.05 -0.32 0.00 0.00 0.00 0.00 53.44 51.97 3bga n ALA 51 Cb 0.56 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 3bga n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bga s ASP 52 N -4.96 4.59 0.38 0.00 2.15 -1.26 -4.98 116.67 112.59 3bga s ASP 52 Ca -0.08 -1.68 0.23 0.00 0.43 0.00 0.00 52.55 51.45 3bga s ASP 52 Cb 0.05 -1.59 1.27 0.00 -0.30 0.00 0.00 42.92 42.35 3bga s ASP 52 CO 0.66 -0.27 1.70 0.00 -0.17 0.00 0.00 175.17 177.09 3bga h ALA 53 N 7.72 1.05 0.00 3.66 0.00 -1.96 -1.85 119.26 127.88 3bga h ALA 53 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3bga h ALA 53 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3bga h ALA 53 CO 0.49 -0.05 -0.23 1.03 0.00 0.00 0.00 179.25 180.49 3bga h SER 54 N 0.00 0.00 0.69 0.00 0.87 -2.01 -2.96 113.55 110.14 3bga h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3bga h SER 54 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3bga h SER 54 CO 0.00 0.23 -0.07 0.47 -0.53 0.00 0.00 176.83 176.93 3bga n ASP 55 N -3.49 0.14 0.07 6.23 8.00 -0.69 -3.81 116.55 122.99 3bga n ASP 55 Ca -0.00 0.02 0.03 0.00 0.71 0.00 0.00 54.79 55.54 3bga n ASP 55 Cb 0.40 -0.27 0.40 0.00 -0.02 0.00 0.00 41.12 41.63 3bga n ASP 55 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3bga h ILE 56 N 0.11 1.14 -0.00 0.53 2.04 -1.70 -1.60 117.51 118.02 3bga h ILE 56 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3bga h ILE 56 Cb 0.41 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3bga h ILE 56 CO 0.00 0.18 -0.15 0.61 0.00 0.00 0.00 178.15 178.79 3bga n GLY 57 N -1.13 -1.30 3.61 5.37 0.00 -1.25 -4.59 105.19 105.90 3bga n GLY 57 Ca 0.01 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3bga n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 58 N -2.86 3.98 0.03 1.61 1.02 -0.60 -5.01 119.74 117.91 3bga s LYS 58 Ca 0.17 0.30 -0.34 0.00 0.02 0.00 0.00 55.97 56.12 3bga s LYS 58 Cb 0.19 -3.69 -0.13 0.00 -0.52 0.00 0.00 37.83 33.68 3bga s LYS 58 CO 0.56 -0.45 1.72 -2.30 -0.92 0.00 0.00 175.35 173.96 3bga n PRO 59 N 5.68 2.13 -0.93 -1.68 -0.02 -1.26 -0.11 135.00 138.81 3bga n PRO 59 Ca -0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3bga n PRO 59 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3bga n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bga n GLY 60 N 3.89 0.64 0.28 -1.23 0.00 -1.26 -4.89 105.19 102.63 3bga n GLY 60 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3bga n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bga h GLY 61 N 0.00 0.00 2.00 -0.02 0.00 -0.69 -1.97 103.07 102.40 3bga h GLY 61 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bga h GLY 61 CO 0.00 0.00 -0.01 0.10 0.00 0.00 0.00 176.54 176.63 3bga h TYR 62 N 0.00 0.00 0.00 5.60 -0.00 -1.79 -1.10 116.97 119.68 3bga h TYR 62 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3bga h TYR 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3bga h TYR 62 CO 0.00 0.01 0.00 0.39 -0.00 0.00 0.00 178.16 178.56 3bga n GLU 63 N -3.63 0.00 -0.38 0.10 1.02 -0.74 -2.24 120.64 114.77 3bga n GLU 63 Ca -0.03 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 3bga n GLU 63 Cb 0.09 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.32 3bga n GLU 63 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3bga n GLN 64 N -1.51 2.89 -2.80 3.49 1.13 -0.42 -4.93 117.38 115.23 3bga n GLN 64 Ca 0.04 -2.62 -0.38 0.00 -1.94 0.00 0.00 57.00 52.10 3bga n GLN 64 Cb 0.20 -1.58 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 3bga n GLN 64 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3bga s SER 65 N -1.00 7.46 0.00 1.08 0.15 -0.95 -4.93 113.70 115.52 3bga s SER 65 Ca 0.46 1.85 0.16 0.00 0.70 0.00 0.00 55.95 59.11 3bga s SER 65 Cb 0.25 -2.58 0.82 0.00 -1.71 0.00 0.00 66.02 62.80 3bga s SER 65 CO 0.30 0.06 1.44 -0.81 1.20 0.00 0.00 173.24 175.43 3bga n PRO 66 N 1.07 0.26 -0.49 5.44 -0.04 -1.26 -1.33 135.00 138.65 3bga n PRO 66 Ca -0.01 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3bga n PRO 66 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 3bga n PRO 66 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bga n TYR 67 N -1.25 1.18 -4.60 0.54 4.01 -1.26 -4.99 117.16 110.80 3bga n TYR 67 Ca 0.08 -0.62 -0.28 0.00 -0.16 0.00 0.00 57.90 56.91 3bga n TYR 67 Cb 0.12 -0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 38.87 3bga n TYR 67 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3bga s TYR 68 N -1.78 1.81 0.05 -0.72 5.04 -0.45 -0.35 117.35 120.96 3bga s TYR 68 Ca 0.45 -1.18 0.04 0.00 -2.44 0.00 0.00 57.07 53.93 3bga s TYR 68 Cb 0.29 -1.32 -0.03 0.00 0.35 0.00 0.00 41.96 41.25 3bga s TYR 68 CO 0.21 -0.12 -0.11 0.45 -1.34 0.00 0.00 175.55 174.65 3bga s SER 70 N -3.71 1.23 -0.04 4.32 0.15 -1.26 -4.76 113.70 109.62 3bga s SER 70 Ca 0.17 -0.57 0.07 0.00 0.70 0.00 0.00 55.95 56.33 3bga s SER 70 Cb 0.02 -0.01 0.15 0.00 -1.71 0.00 0.00 66.02 64.47 3bga s SER 70 CO 0.10 -0.14 1.10 0.18 1.20 0.00 0.00 173.24 175.69 3bga n LEU 71 N 1.43 2.34 -4.69 3.45 4.77 0.27 -4.84 117.00 119.72 3bga n LEU 71 Ca -0.22 -2.34 -0.29 0.00 -0.03 0.00 0.00 56.01 53.12 3bga n LEU 71 Cb 0.54 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.61 3bga n LEU 71 CO 0.21 0.60 0.65 0.20 -1.33 0.00 0.00 177.39 177.72 3bga s ASN 72 N -1.54 3.06 0.00 -1.43 0.01 -1.21 -4.86 114.94 108.97 3bga s ASN 72 Ca 0.14 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 3bga s ASN 72 Cb 0.11 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.68 3bga s ASN 72 CO 0.03 -2.89 0.00 0.61 -1.51 0.00 0.00 177.10 173.35 3bga n GLY 73 N -0.98 0.22 3.72 0.66 0.00 0.25 -4.96 105.19 104.10 3bga n GLY 73 Ca 0.06 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3bga n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 74 N 0.00 4.52 0.05 1.61 -0.14 -1.26 -0.54 119.74 123.98 3bga s LYS 74 Ca 0.00 1.21 0.05 0.00 -1.36 0.00 0.00 55.97 55.86 3bga s LYS 74 Cb 0.00 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.68 3bga s LYS 74 CO 0.00 0.04 -0.14 -1.58 -0.76 0.00 0.00 175.35 172.91 3bga s TRP 75 N 0.78 1.19 0.37 3.18 0.52 -0.60 -4.93 118.94 119.46 3bga s TRP 75 Ca 0.46 -0.39 -0.26 0.00 0.02 0.00 0.00 56.10 55.92 3bga s TRP 75 Cb -0.20 -0.69 -0.09 0.00 -1.15 0.00 0.00 33.47 31.34 3bga s TRP 75 CO 0.24 0.04 1.19 0.15 0.02 0.00 0.00 176.95 178.59 3bga s LYS 76 N -1.37 4.17 0.01 4.98 -0.14 0.81 -0.14 119.74 128.06 3bga s LYS 76 Ca -0.00 1.91 -0.02 0.00 -1.36 0.00 0.00 55.97 56.50 3bga s LYS 76 Cb -0.09 -2.80 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 3bga s LYS 76 CO 0.02 -0.24 0.02 0.12 -0.76 0.00 0.00 175.35 174.50 3bga s PHE 77 N -1.33 0.17 -0.08 3.18 5.36 -0.25 -1.65 117.98 123.39 3bga s PHE 77 Ca 0.54 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 56.10 3bga s PHE 77 Cb -0.33 -0.13 0.03 0.00 -0.34 0.00 0.00 43.02 42.25 3bga s PHE 77 CO 0.42 -0.19 0.19 1.21 -1.46 0.00 0.00 175.22 175.39 3bga s ASN 78 N -1.24 -0.19 -0.04 6.13 3.84 -0.77 -3.63 114.94 119.04 3bga s ASN 78 Ca -0.14 0.40 0.06 0.00 0.21 0.00 0.00 52.86 53.39 3bga s ASN 78 Cb -0.08 0.34 -0.01 0.00 -0.55 0.00 0.00 41.25 40.94 3bga s ASN 78 CO -0.00 -0.11 -0.22 0.86 -2.79 0.00 0.00 177.10 174.83 3bga s TRP 79 N 0.70 2.12 -0.05 0.43 -0.00 -1.26 -0.69 118.94 120.20 3bga s TRP 79 Ca -0.05 -0.57 -0.11 0.00 -0.00 0.00 0.00 56.10 55.37 3bga s TRP 79 Cb -0.06 -1.39 0.02 0.00 -0.00 0.00 0.00 33.47 32.03 3bga s TRP 79 CO -0.04 -0.15 0.27 0.14 -0.00 0.00 0.00 176.95 177.16 3bga s VAL 80 N -0.21 0.04 -0.23 5.86 -7.23 -0.63 -5.00 120.40 113.00 3bga s VAL 80 Ca -0.00 -0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 59.76 3bga s VAL 80 Cb -0.12 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 3bga s VAL 80 CO 0.02 -0.18 0.11 -0.75 -0.31 0.00 0.00 175.10 174.00 3bga s LYS 81 N -0.73 3.96 0.00 4.82 2.20 -1.26 -0.58 119.74 128.15 3bga s LYS 81 Ca -0.08 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3bga s LYS 81 Cb -0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3bga s LYS 81 CO 0.02 0.07 0.00 -1.71 -0.36 0.00 0.00 175.35 173.37 3bga n ASN 82 N 4.21 -1.39 -0.34 1.43 2.85 -0.12 -4.80 115.26 117.10 3bga n ASN 82 Ca -0.16 0.00 0.21 0.00 -0.11 0.00 0.00 54.58 54.52 3bga n ASN 82 Cb 0.52 -0.70 0.45 0.00 1.24 0.00 0.00 39.78 41.29 3bga n ASN 82 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3bga h PRO 83 N 0.00 0.46 0.00 1.20 0.11 -1.76 0.45 132.00 132.46 3bga h PRO 83 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3bga h PRO 83 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3bga h PRO 83 CO 0.00 0.31 0.00 -0.44 -0.21 0.00 0.00 178.00 177.66 3bga h ASP 84 N 0.48 0.00 -0.00 -2.05 3.32 -1.92 -1.96 116.42 114.28 3bga h ASP 84 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 3bga h ASP 84 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3bga h ASP 84 CO -0.41 0.00 -0.41 0.59 -1.72 0.00 0.00 179.24 177.29 3bga n ASN 85 N -2.66 2.06 -4.76 6.45 5.03 0.16 -5.00 115.26 116.53 3bga n ASN 85 Ca -0.01 -1.52 -0.31 0.00 0.87 0.00 0.00 54.58 53.60 3bga n ASN 85 Cb 0.10 0.41 0.10 0.00 -1.02 0.00 0.00 39.78 39.36 3bga n ASN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bga s ARG 86 N -2.43 2.12 -1.28 3.52 1.70 -0.74 -4.92 118.95 116.92 3bga s ARG 86 Ca 0.20 1.21 -0.16 0.00 -0.47 0.00 0.00 55.73 56.51 3bga s ARG 86 Cb 0.18 -1.88 0.11 0.00 -0.57 0.00 0.00 34.95 32.79 3bga s ARG 86 CO 0.54 -1.76 1.67 -0.35 -1.08 0.00 0.00 175.30 174.33 3bga n PRO 87 N -3.60 3.26 -0.35 3.89 -0.04 -1.26 -4.88 135.00 132.02 3bga n PRO 87 Ca 0.09 -3.45 0.27 0.00 -0.04 0.00 0.00 63.50 60.37 3bga n PRO 87 Cb 0.53 -3.30 0.52 0.00 -0.04 0.00 0.00 33.50 31.20 3bga n PRO 87 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3bga h LYS 88 N 7.24 0.26 -0.64 0.54 1.57 -1.93 -2.14 116.57 121.47 3bga h LYS 88 Ca 0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3bga h LYS 88 Cb 0.85 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3bga h LYS 88 CO 1.42 0.17 0.00 -0.25 -0.57 0.00 0.00 179.45 180.22 3bga n ASP 89 N -4.97 4.49 0.33 0.86 8.00 -1.26 -4.51 116.55 119.48 3bga n ASP 89 Ca 0.33 -2.50 0.21 0.00 0.71 0.00 0.00 54.79 53.53 3bga n ASP 89 Cb 1.08 -0.58 1.13 0.00 -0.02 0.00 0.00 41.12 42.74 3bga n ASP 89 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3bga h PHE 90 N 3.58 0.00 0.00 1.24 -5.15 -1.79 -1.56 116.94 113.25 3bga h PHE 90 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3bga h PHE 90 Cb 1.44 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.61 3bga h PHE 90 CO 0.76 0.00 -0.09 0.10 -2.00 0.00 0.00 178.31 177.08 3bga h TYR 91 N 0.00 0.00 -2.90 6.09 -0.00 -1.85 -3.44 116.97 114.87 3bga h TYR 91 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.19 3bga h TYR 91 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.83 3bga h TYR 91 CO 0.00 0.09 0.84 -0.65 -0.00 0.00 0.00 178.16 178.44 3bga s GLN 92 N -3.46 4.28 0.39 0.10 -0.21 -0.59 -3.10 119.66 117.07 3bga s GLN 92 Ca 0.03 1.99 0.19 0.00 0.02 0.00 0.00 55.36 57.60 3bga s GLN 92 Cb 0.08 -3.56 1.15 0.00 1.00 0.00 0.00 33.01 31.68 3bga s GLN 92 CO 0.62 -0.58 1.71 -1.35 -2.12 0.00 0.00 175.29 173.58 3bga h PRO 93 N 7.82 0.32 0.00 2.91 0.11 -1.87 0.25 132.00 141.54 3bga h PRO 93 Ca -0.38 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3bga h PRO 93 Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3bga h PRO 93 CO 0.90 0.21 -0.26 0.66 -0.21 0.00 0.00 178.00 179.31 3bga h SER 94 N 0.33 0.00 -3.20 -2.05 4.64 -1.94 -3.45 113.55 107.89 3bga h SER 94 Ca 0.68 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.43 3bga h SER 94 Cb 1.75 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.94 3bga h SER 94 CO -0.40 0.26 0.61 0.00 -0.87 0.00 0.00 176.83 176.44 3bga n TYR 95 N -3.46 2.40 -3.14 4.77 9.36 0.07 -4.95 117.16 122.22 3bga n TYR 95 Ca -0.00 0.47 -0.40 0.00 3.32 0.00 0.00 57.90 61.28 3bga n TYR 95 Cb 0.44 -2.46 -0.07 0.00 -0.63 0.00 0.00 39.34 36.62 3bga n TYR 95 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3bga s TYR 96 N -0.67 3.29 -0.79 2.98 5.04 -1.26 -4.91 117.35 121.03 3bga s TYR 96 Ca 0.60 0.79 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 3bga s TYR 96 Cb -0.57 -2.81 0.08 0.00 0.35 0.00 0.00 41.96 39.01 3bga s TYR 96 CO 0.57 -0.30 0.80 0.25 -1.34 0.00 0.00 175.55 175.53 3bga n THR 97 N 5.15 0.20 0.26 4.34 -2.24 -1.26 -4.66 114.28 116.08 3bga n THR 97 Ca -0.01 -0.60 0.14 0.00 -2.27 0.00 0.00 64.05 61.30 3bga n THR 97 Cb 0.49 1.01 0.73 0.00 -2.10 0.00 0.00 70.33 70.47 3bga n THR 97 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bga h GLY 98 N 1.31 0.00 -0.59 3.38 0.00 -2.00 0.28 103.07 105.44 3bga h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bga h GLY 98 CO 0.00 0.00 -0.07 0.61 0.00 0.00 0.00 176.54 177.08 3bga n GLY 99 N -1.22 0.05 3.92 4.60 0.00 -1.26 -4.94 105.19 106.33 3bga n GLY 99 Ca -0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 3bga n GLY 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bga s TRP 100 N -2.12 3.41 0.82 1.61 0.52 0.97 -5.10 118.94 119.05 3bga s TRP 100 Ca 0.33 0.69 -0.09 0.00 0.02 0.00 0.00 56.10 57.05 3bga s TRP 100 Cb 0.20 -2.48 0.14 0.00 -1.15 0.00 0.00 33.47 30.18 3bga s TRP 100 CO 0.38 -0.51 1.14 0.00 0.02 0.00 0.00 176.95 177.98 3bga s ALA 101 N -2.82 2.92 0.15 0.98 0.00 -1.24 -4.84 121.76 116.91 3bga s ALA 101 Ca 0.50 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3bga s ALA 101 Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 3bga s ALA 101 CO 0.44 -1.83 0.20 -0.51 0.00 0.00 0.00 175.76 174.06 3bga s ASP 102 N -4.74 5.90 0.05 0.00 1.01 -1.26 -1.09 116.67 116.54 3bga s ASP 102 Ca 0.68 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.99 3bga s ASP 102 Cb -0.06 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 3bga s ASP 102 CO 0.48 0.06 -0.11 -0.51 0.21 0.00 0.00 175.17 175.30 3bga s ILE 103 N -1.74 0.84 -0.05 0.77 1.10 0.79 -4.79 121.20 118.13 3bga s ILE 103 Ca 0.33 -1.16 -0.23 0.00 -0.51 0.00 0.00 60.65 59.07 3bga s ILE 103 Cb -0.11 -0.85 -0.04 0.00 0.15 0.00 0.00 42.46 41.62 3bga s ILE 103 CO 0.26 -0.27 0.70 0.20 -2.11 0.00 0.00 174.94 173.72 3bga s ASN 104 N -1.59 7.01 -0.12 4.50 0.02 -1.26 -1.55 114.94 121.95 3bga s ASN 104 Ca -0.05 1.22 0.02 0.00 -1.02 0.00 0.00 52.86 53.03 3bga s ASN 104 Cb -0.10 -2.42 0.01 0.00 0.02 0.00 0.00 41.25 38.77 3bga s ASN 104 CO 0.01 -0.09 -0.20 -0.69 0.02 0.00 0.00 177.10 176.15 3bga s VAL 105 N 0.66 1.84 0.77 1.60 1.01 0.30 -4.12 120.40 122.46 3bga s VAL 105 Ca 0.37 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3bga s VAL 105 Cb -0.18 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 34.68 3bga s VAL 105 CO 0.19 0.51 1.07 -2.16 0.00 0.00 0.00 175.10 174.71 3bga s PRO 106 N 0.79 1.64 0.00 2.72 0.04 -1.26 -0.58 135.00 138.35 3bga s PRO 106 Ca -0.09 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.34 3bga s PRO 106 Cb -0.16 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3bga s PRO 106 CO 0.00 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.87 3bga n GLY 107 N -3.08 4.12 3.71 0.56 0.00 0.87 -4.99 105.19 106.39 3bga n GLY 107 Ca 0.12 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3bga n GLY 107 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bga n ASN 108 N 0.00 2.82 0.25 1.61 4.13 -1.08 -4.46 115.26 118.52 3bga n ASN 108 Ca 0.00 1.15 0.12 0.00 1.68 0.00 0.00 54.58 57.53 3bga n ASN 108 Cb 0.00 -1.52 0.59 0.00 -1.54 0.00 0.00 39.78 37.31 3bga n ASN 108 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 3bga h TRP 109 N 2.33 0.00 0.00 3.10 0.09 -1.69 -2.65 115.95 117.14 3bga h TRP 109 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.47 3bga h TRP 109 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.52 3bga h TRP 109 CO 0.49 0.16 -0.14 0.93 0.09 0.00 0.00 178.44 179.97 3bga h GLU 110 N 0.00 0.00 -0.61 0.12 3.07 -1.80 0.14 114.58 115.50 3bga h GLU 110 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bga h GLU 110 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3bga h GLU 110 CO 0.02 0.14 0.00 0.54 -1.40 0.00 0.00 179.01 178.31 3bga n ARG 111 N -3.59 2.92 -1.09 2.33 5.12 -1.00 -3.87 116.66 117.47 3bga n ARG 111 Ca -0.01 -1.98 0.05 0.00 -1.93 0.00 0.00 57.85 53.97 3bga n ARG 111 Cb 0.27 -1.71 0.08 0.00 -1.16 0.00 0.00 32.46 29.94 3bga n ARG 111 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3bga n GLN 112 N 0.70 0.54 -0.74 5.56 6.02 -0.01 -4.97 117.38 124.48 3bga n GLN 112 Ca 0.18 -2.35 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 3bga n GLN 112 Cb 0.66 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.32 3bga n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 113 N -0.11 0.70 3.54 1.08 0.00 -1.19 -5.04 105.19 104.17 3bga n GLY 113 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3bga n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bga s TYR 114 N -2.46 2.67 0.00 1.61 1.51 -0.92 -5.05 117.35 114.70 3bga s TYR 114 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3bga s TYR 114 Cb 0.00 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3bga s TYR 114 CO 0.00 0.40 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 3bga n GLY 115 N 0.83 1.68 2.99 0.71 0.00 -1.26 -3.62 105.19 106.52 3bga n GLY 115 Ca -0.14 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3bga n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bga s THR 116 N 0.00 -0.22 0.11 2.61 2.01 -1.26 -4.98 115.64 113.91 3bga s THR 116 Ca 0.00 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3bga s THR 116 Cb 0.00 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 72.07 3bga s THR 116 CO 0.00 0.10 1.15 0.00 -0.69 0.00 0.00 174.62 175.17 3bga s ALA 117 N 1.85 3.37 -0.05 7.40 0.00 -1.26 -4.98 121.76 128.08 3bga s ALA 117 Ca -0.03 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3bga s ALA 117 Cb -0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3bga s ALA 117 CO -0.08 -0.33 -0.15 0.42 0.00 0.00 0.00 175.76 175.61 3bga s ILE 118 N 0.50 1.32 -0.23 0.00 1.01 -1.23 -4.60 121.20 117.98 3bga s ILE 118 Ca 0.54 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3bga s ILE 118 Cb -0.29 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.07 3bga s ILE 118 CO 0.32 0.39 -0.13 -0.47 0.00 0.00 0.00 174.94 175.04 3bga s TYR 119 N 0.22 3.07 0.18 3.97 5.04 -1.26 -0.31 117.35 128.26 3bga s TYR 119 Ca -0.07 -1.98 0.03 0.00 -2.44 0.00 0.00 57.07 52.62 3bga s TYR 119 Cb -0.13 -1.95 -0.05 0.00 0.35 0.00 0.00 41.96 40.19 3bga s TYR 119 CO 0.03 -0.83 -0.04 0.14 -1.34 0.00 0.00 175.55 173.50 3bga s VAL 120 N 1.20 0.98 0.00 3.14 -7.23 -1.26 -1.59 120.40 115.63 3bga s VAL 120 Ca -0.03 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3bga s VAL 120 Cb -0.17 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3bga s VAL 120 CO -0.08 -0.56 0.00 -3.20 -0.31 0.00 0.00 175.10 170.96 3bga n ASN 121 N -0.27 0.00 -0.56 4.85 5.15 -1.26 -4.72 115.26 118.45 3bga n ASN 121 Ca -0.08 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.93 3bga n ASN 121 Cb 0.62 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.97 3bga n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3bga n GLU 122 N -0.32 1.70 -4.44 1.20 1.02 -1.26 -4.37 120.64 114.18 3bga n GLU 122 Ca 0.00 -0.82 -0.21 0.00 -0.02 0.00 0.00 57.16 56.11 3bga n GLU 122 Cb 0.00 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 3bga n GLU 122 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bga s THR 123 N -1.65 1.49 -0.15 2.62 -4.23 -1.26 -3.18 115.64 109.28 3bga s THR 123 Ca 0.15 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.41 3bga s THR 123 Cb 0.09 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 3bga s THR 123 CO 0.08 -0.20 0.45 -0.31 -0.54 0.00 0.00 174.62 174.11 3bga s TYR 124 N -3.10 3.45 0.54 3.99 1.51 -1.26 -4.85 117.35 117.62 3bga s TYR 124 Ca 0.32 0.78 0.20 0.00 -1.01 0.00 0.00 57.07 57.36 3bga s TYR 124 Cb 0.06 -2.55 1.39 0.00 -0.11 0.00 0.00 41.96 40.75 3bga s TYR 124 CO 0.13 0.09 2.15 1.05 -1.11 0.00 0.00 175.55 177.86 3bga h GLU 125 N 6.99 0.00 0.00 -0.62 9.09 -1.98 -0.56 114.58 127.50 3bga h GLU 125 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.02 3bga h GLU 125 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3bga h GLU 125 CO 0.75 0.00 0.00 1.97 0.05 0.00 0.00 179.01 181.78 3bga n PHE 126 N -4.37 0.46 -2.68 2.06 1.16 -1.26 -4.24 117.46 108.58 3bga n PHE 126 Ca -0.01 0.14 -0.43 0.00 -1.87 0.00 0.00 57.45 55.27 3bga n PHE 126 Cb 0.16 -0.72 0.00 0.00 -1.61 0.00 0.00 39.48 37.31 3bga n PHE 126 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3bga n ASP 127 N -1.88 5.09 -3.51 5.98 2.03 -0.22 -4.51 116.55 119.53 3bga n ASP 127 Ca 0.06 -3.00 -0.15 0.00 0.52 0.00 0.00 54.79 52.22 3bga n ASP 127 Cb 0.38 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.16 3bga n ASP 127 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bga s ASP 128 N 2.51 -0.57 -0.12 1.67 2.15 -0.92 -4.83 116.67 116.56 3bga s ASP 128 Ca 0.44 0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.75 3bga s ASP 128 Cb 0.02 0.54 -0.07 0.00 -0.30 0.00 0.00 42.92 43.12 3bga s ASP 128 CO 0.01 -0.75 1.49 2.29 -0.17 0.00 0.00 175.17 178.04 3bga n LYS 129 N 0.39 0.73 0.00 4.34 2.85 -1.26 -3.03 118.16 122.18 3bga n LYS 129 Ca -0.18 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 56.60 3bga n LYS 129 Cb 0.60 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 3bga n LYS 129 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3bga n PHE 131 N 3.28 0.00 -4.20 5.58 3.01 -1.26 -4.64 117.46 119.23 3bga n PHE 131 Ca 0.16 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.26 3bga n PHE 131 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3bga n PHE 131 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3bga n ASN 132 N 0.00 -3.08 -3.79 4.37 3.02 -1.17 -4.84 115.26 109.77 3bga n ASN 132 Ca 0.00 -1.01 -0.13 0.00 -0.03 0.00 0.00 54.58 53.42 3bga n ASN 132 Cb 0.00 -2.80 -0.12 0.00 -0.61 0.00 0.00 39.78 36.26 3bga n ASN 132 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3bga s PHE 133 N -3.35 -0.25 -0.05 3.10 5.36 -1.18 -5.08 117.98 116.53 3bga s PHE 133 Ca 0.68 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 3bga s PHE 133 Cb -0.37 0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.37 3bga s PHE 133 CO 0.92 -0.14 -0.14 0.15 -1.46 0.00 0.00 175.22 174.56 3bga s LYS 134 N 0.03 2.50 0.22 10.12 1.02 -1.26 -2.17 119.74 130.19 3bga s LYS 134 Ca -0.01 -0.70 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 3bga s LYS 134 Cb -0.02 -2.38 -0.14 0.00 -0.52 0.00 0.00 37.83 34.76 3bga s LYS 134 CO 0.00 0.62 1.23 0.36 -0.92 0.00 0.00 175.35 176.65 3bga n LYS 135 N 2.27 1.53 -2.72 1.68 2.85 -1.26 -4.93 118.16 117.58 3bga n LYS 135 Ca -0.17 0.54 -0.06 0.00 -1.05 0.00 0.00 58.31 57.57 3bga n LYS 135 Cb 0.52 -2.08 0.05 0.00 -0.65 0.00 0.00 35.03 32.87 3bga n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3bga n ASN 136 N 1.91 -2.50 -4.55 -5.58 5.15 -1.26 -5.12 115.26 103.30 3bga n ASN 136 Ca 0.13 -2.64 -0.44 0.00 -0.60 0.00 0.00 54.58 51.03 3bga n ASN 136 Cb 0.28 1.45 -0.01 0.00 -0.53 0.00 0.00 39.78 40.98 3bga n ASN 136 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3bga n PRO 137 N 1.98 1.09 -0.16 1.20 -0.04 -1.26 -1.55 135.00 136.27 3bga n PRO 137 Ca 0.09 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 3bga n PRO 137 Cb 0.64 -1.74 0.23 0.00 -0.04 0.00 0.00 33.50 32.58 3bga n PRO 137 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3bga n PRO 138 N 0.63 1.85 -2.53 0.54 -0.04 -1.26 -5.11 135.00 129.08 3bga n PRO 138 Ca 0.11 -1.31 -0.35 0.00 -0.04 0.00 0.00 63.50 61.91 3bga n PRO 138 Cb 0.34 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 3bga n PRO 138 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bga s LEU 139 N -1.18 3.92 0.13 1.53 1.43 -0.59 -4.03 118.68 119.90 3bga s LEU 139 Ca 0.28 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 3bga s LEU 139 Cb 0.15 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3bga s LEU 139 CO 0.20 -0.72 -0.07 0.68 0.23 0.00 0.00 176.35 176.67 3bga s VAL 140 N -1.88 0.92 0.30 -1.59 -7.23 -1.26 -4.40 120.40 105.26 3bga s VAL 140 Ca 0.65 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 3bga s VAL 140 Cb -0.18 -1.82 -0.13 0.00 0.56 0.00 0.00 36.38 34.80 3bga s VAL 140 CO 0.22 -0.76 1.17 -2.65 -0.31 0.00 0.00 175.10 172.77 3bga n PRO 141 N -0.15 1.73 -0.01 4.82 -0.02 -1.26 -4.97 135.00 135.14 3bga n PRO 141 Ca -0.10 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 3bga n PRO 141 Cb 0.61 -2.10 -0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3bga n PRO 141 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bga n PHE 142 N 0.45 0.15 -0.07 6.00 7.35 -1.26 -3.59 117.46 126.48 3bga n PHE 142 Ca 0.08 0.06 0.06 0.00 -0.76 0.00 0.00 57.45 56.90 3bga n PHE 142 Cb 0.33 -0.30 0.42 0.00 0.35 0.00 0.00 39.48 40.28 3bga n PHE 142 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bga h ALA 143 N -1.81 1.78 0.00 3.13 0.00 -1.97 -2.27 119.26 118.12 3bga h ALA 143 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bga h ALA 143 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3bga h ALA 143 CO 0.00 0.15 -0.25 0.39 0.00 0.00 0.00 179.25 179.54 3bga n GLU 144 N -4.47 0.24 -1.59 0.00 4.71 -1.26 -2.66 120.64 115.59 3bga n GLU 144 Ca 0.07 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 57.01 3bga n GLU 144 Cb 0.18 -1.72 0.07 0.00 -1.01 0.00 0.00 31.44 28.96 3bga n GLU 144 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3bga s ASN 145 N -4.22 4.54 0.02 1.62 3.84 -0.85 -4.68 114.94 115.20 3bga s ASN 145 Ca 0.09 2.30 0.05 0.00 0.21 0.00 0.00 52.86 55.51 3bga s ASN 145 Cb 0.13 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.22 3bga s ASN 145 CO 0.64 -2.03 -0.11 -1.61 -2.79 0.00 0.00 177.10 171.20 3bga s GLU 146 N -3.84 2.37 -0.13 0.43 2.02 -1.26 -0.94 118.70 117.35 3bga s GLU 146 Ca 0.74 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.92 3bga s GLU 146 Cb -0.28 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.59 3bga s GLU 146 CO 0.42 0.58 -0.17 0.08 0.02 0.00 0.00 175.26 176.19 3bga s VAL 147 N -0.96 1.69 -0.32 2.63 1.01 0.26 -1.35 120.40 123.36 3bga s VAL 147 Ca 0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3bga s VAL 147 Cb -0.11 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.77 3bga s VAL 147 CO 0.07 0.48 0.06 -0.83 0.00 0.00 0.00 175.10 174.88 3bga s GLY 148 N 1.06 1.80 -0.31 4.51 0.00 0.78 -1.61 107.32 113.54 3bga s GLY 148 Ca -0.04 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.84 3bga s GLY 148 CO -0.04 0.72 0.37 -0.56 0.00 0.00 0.00 173.10 173.59 3bga s SER 149 N 1.37 6.21 -0.01 1.64 0.01 0.13 -0.51 113.70 122.54 3bga s SER 149 Ca -0.02 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.24 3bga s SER 149 Cb -0.19 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3bga s SER 149 CO 0.01 -0.28 -0.01 -0.31 0.41 0.00 0.00 173.24 173.06 3bga s TYR 150 N 2.06 3.04 -0.27 2.43 2.02 0.58 -1.84 117.35 125.37 3bga s TYR 150 Ca 0.13 0.07 -0.22 0.00 -0.37 0.00 0.00 57.07 56.68 3bga s TYR 150 Cb -0.16 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 39.81 3bga s TYR 150 CO 0.11 0.44 0.75 0.50 -1.57 0.00 0.00 175.55 175.78 3bga s ARG 151 N -1.41 0.75 0.07 -0.62 3.52 -0.66 -1.05 118.95 119.55 3bga s ARG 151 Ca 0.18 1.01 -0.14 0.00 -0.13 0.00 0.00 55.73 56.65 3bga s ARG 151 Cb -0.11 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 3bga s ARG 151 CO 0.08 -0.11 0.32 -0.98 -0.81 0.00 0.00 175.30 173.80 3bga s ARG 152 N 0.77 0.90 0.27 5.12 1.70 -0.88 -0.13 118.95 126.70 3bga s ARG 152 Ca -0.03 -0.62 0.04 0.00 -0.47 0.00 0.00 55.73 54.64 3bga s ARG 152 Cb -0.05 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3bga s ARG 152 CO -0.06 -0.31 0.41 -0.08 -1.08 0.00 0.00 175.30 174.18 3bga s THR 153 N -3.11 5.22 0.09 4.99 -1.32 -1.26 -2.03 115.64 118.22 3bga s THR 153 Ca -0.01 -0.84 -0.26 0.00 -1.21 0.00 0.00 61.69 59.38 3bga s THR 153 Cb 0.01 -3.86 0.08 0.00 -1.51 0.00 0.00 72.50 67.22 3bga s THR 153 CO -0.07 -0.40 0.75 0.72 -2.21 0.00 0.00 174.62 173.42 3bga s PHE 154 N -2.08 -0.41 -0.01 9.09 -0.12 -0.19 -4.97 117.98 119.29 3bga s PHE 154 Ca 0.36 0.22 0.06 0.00 -0.05 0.00 0.00 56.93 57.51 3bga s PHE 154 Cb -0.09 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3bga s PHE 154 CO 0.31 -0.74 -0.18 0.15 -0.05 0.00 0.00 175.22 174.71 3bga s LYS 155 N -3.46 1.48 0.15 1.99 1.02 -1.26 0.16 119.74 119.82 3bga s LYS 155 Ca 0.04 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 3bga s LYS 155 Cb -0.01 -1.43 -0.07 0.00 -0.52 0.00 0.00 37.83 35.80 3bga s LYS 155 CO -0.09 0.39 0.84 0.08 -0.92 0.00 0.00 175.35 175.64 3bga s VAL 156 N -0.42 4.40 0.63 3.17 1.01 -1.26 -5.02 120.40 122.91 3bga s VAL 156 Ca 0.07 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 3bga s VAL 156 Cb -0.07 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3bga s VAL 156 CO -0.01 0.46 1.25 -2.65 0.00 0.00 0.00 175.10 174.15 3bga n PRO 157 N 1.99 1.16 -0.05 2.72 -0.02 -1.26 -4.88 135.00 134.66 3bga n PRO 157 Ca -0.03 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3bga n PRO 157 Cb 0.49 -2.49 0.35 0.00 -0.02 0.00 0.00 33.50 31.83 3bga n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bga h ALA 158 N 0.65 1.56 0.00 3.55 0.00 -2.01 -2.03 119.26 120.97 3bga h ALA 158 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3bga h ALA 158 Cb 1.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3bga h ALA 158 CO 0.53 0.37 0.00 -0.44 0.00 0.00 0.00 179.25 179.71 3bga h ASP 159 N 0.65 0.00 -0.07 0.00 3.32 -1.98 -2.36 116.42 115.98 3bga h ASP 159 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3bga h ASP 159 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3bga h ASP 159 CO -0.03 0.00 0.00 0.79 -1.72 0.00 0.00 179.24 178.28 3bga n TRP 160 N -2.39 0.09 -1.65 4.55 7.02 -0.76 -4.88 117.44 119.42 3bga n TRP 160 Ca 0.01 -0.04 -0.52 0.00 -1.02 0.00 0.00 57.50 55.93 3bga n TRP 160 Cb 0.18 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 3bga n TRP 160 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 3bga n LYS 161 N -0.31 1.62 -0.05 -0.99 3.00 -0.89 -1.29 118.16 119.25 3bga n LYS 161 Ca 0.15 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 3bga n LYS 161 Cb 0.18 -2.44 0.00 0.00 0.00 0.00 0.00 35.03 32.77 3bga n LYS 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bga n GLY 162 N 4.78 2.44 3.92 3.14 0.00 -1.26 -5.03 105.19 113.17 3bga n GLY 162 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 3bga n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 163 N -0.16 2.48 0.11 1.61 0.52 -0.41 -4.82 118.95 118.28 3bga s ARG 163 Ca 0.00 -0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.89 3bga s ARG 163 Cb 0.00 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 3bga s ARG 163 CO 0.00 -1.08 0.78 0.50 0.02 0.00 0.00 175.30 175.52 3bga s ARG 164 N -5.21 4.54 -0.07 3.54 3.52 0.12 -4.93 118.95 120.46 3bga s ARG 164 Ca 0.58 1.14 0.03 0.00 -0.13 0.00 0.00 55.73 57.35 3bga s ARG 164 Cb -0.11 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 3bga s ARG 164 CO 0.46 0.43 -0.17 0.08 -0.81 0.00 0.00 175.30 175.29 3bga s VAL 165 N -0.63 1.50 -0.08 7.11 1.01 -1.26 -1.09 120.40 126.97 3bga s VAL 165 Ca 0.37 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3bga s VAL 165 Cb -0.22 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3bga s VAL 165 CO 0.25 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.89 3bga s VAL 166 N 0.44 2.44 -0.24 2.92 1.01 -0.11 -1.37 120.40 125.48 3bga s VAL 166 Ca -0.14 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 3bga s VAL 166 Cb -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3bga s VAL 166 CO 0.05 0.56 0.42 -0.22 0.00 0.00 0.00 175.10 175.91 3bga s LEU 167 N -0.04 4.08 -0.18 3.92 2.96 -0.01 -2.02 118.68 127.39 3bga s LEU 167 Ca -0.06 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3bga s LEU 167 Cb -0.15 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.04 3bga s LEU 167 CO 0.05 -0.17 -0.18 0.00 -1.32 0.00 0.00 176.35 174.72 3bga h GLU 170 N 8.23 0.00 -0.40 0.00 4.39 -1.49 -1.42 114.58 123.89 3bga h GLU 170 Ca -0.19 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.76 3bga h GLU 170 Cb 1.07 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.42 3bga h GLU 170 CO 0.71 0.04 0.63 0.20 -1.16 0.00 0.00 179.01 179.43 3bga s GLY 171 N -4.11 0.44 -0.05 -3.84 0.00 -1.26 -3.07 107.32 95.43 3bga s GLY 171 Ca -0.05 3.77 0.00 0.00 0.00 0.00 0.00 44.72 48.45 3bga s GLY 171 CO 0.62 3.19 -0.02 0.14 0.00 0.00 0.00 173.10 177.03 3bga s VAL 172 N 1.68 0.36 0.12 1.40 1.01 -1.25 -0.76 120.40 122.96 3bga s VAL 172 Ca -0.02 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 3bga s VAL 172 Cb -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 3bga s VAL 172 CO -0.14 0.20 0.66 -0.51 0.00 0.00 0.00 175.10 175.32 3bga s ILE 173 N 1.23 4.57 0.00 2.22 2.07 -0.00 -4.21 121.20 127.08 3bga s ILE 173 Ca -0.07 1.43 0.00 0.00 -1.41 0.00 0.00 60.65 60.60 3bga s ILE 173 Cb -0.14 -4.00 0.00 0.00 0.13 0.00 0.00 42.46 38.45 3bga s ILE 173 CO -0.02 0.53 0.00 -0.24 -1.91 0.00 0.00 174.94 173.30 3bga n SER 174 N 1.63 0.00 -4.34 4.50 2.88 -1.26 -4.16 113.62 112.86 3bga n SER 174 Ca -0.08 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.23 3bga n SER 174 Cb 0.50 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 3bga n SER 174 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3bga s PHE 175 N 0.00 1.91 -0.13 0.66 5.36 -1.14 -4.02 117.98 120.62 3bga s PHE 175 Ca 0.00 -0.44 -0.29 0.00 -0.96 0.00 0.00 56.93 55.24 3bga s PHE 175 Cb 0.00 -0.96 0.09 0.00 -0.34 0.00 0.00 43.02 41.81 3bga s PHE 175 CO 0.00 0.34 0.80 1.52 -1.46 0.00 0.00 175.22 176.42 3bga s TYR 176 N -1.84 -0.59 0.10 10.12 -0.85 -1.14 -0.44 117.35 122.71 3bga s TYR 176 Ca 0.15 1.12 0.02 0.00 -0.52 0.00 0.00 57.07 57.85 3bga s TYR 176 Cb -0.07 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3bga s TYR 176 CO 0.07 -0.48 0.17 0.71 -1.52 0.00 0.00 175.55 174.50 3bga s TYR 177 N -0.82 3.34 -0.01 -3.49 1.51 -1.00 -1.83 117.35 115.05 3bga s TYR 177 Ca -0.06 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3bga s TYR 177 Cb -0.01 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 3bga s TYR 177 CO 0.05 0.54 -0.04 0.54 -1.11 0.00 0.00 175.55 175.54 3bga s VAL 178 N -1.55 0.35 0.07 0.71 0.11 -0.64 -1.57 120.40 117.87 3bga s VAL 178 Ca 0.32 -0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 3bga s VAL 178 Cb -0.12 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3bga s VAL 178 CO 0.25 0.12 -0.13 0.26 -3.33 0.00 0.00 175.10 172.27 3bga s TRP 179 N 0.16 1.15 -0.09 1.54 0.51 -0.40 -0.39 118.94 121.42 3bga s TRP 179 Ca -0.01 -0.48 0.00 0.00 -2.12 0.00 0.00 56.10 53.49 3bga s TRP 179 Cb -0.05 -0.65 0.02 0.00 -0.81 0.00 0.00 33.47 31.98 3bga s TRP 179 CO -0.00 0.04 -0.07 0.08 -0.51 0.00 0.00 176.95 176.48 3bga s VAL 180 N -1.36 0.90 -1.44 4.03 1.01 -0.62 -0.99 120.40 121.94 3bga s VAL 180 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3bga s VAL 180 Cb -0.10 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3bga s VAL 180 CO 0.02 0.33 0.77 0.59 0.00 0.00 0.00 175.10 176.81 3bga n ASN 181 N 4.57 -2.55 0.00 3.32 3.02 0.29 -1.59 115.26 122.31 3bga n ASN 181 Ca -0.16 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3bga n ASN 181 Cb 0.51 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3bga n ASN 181 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bga n GLY 182 N -1.67 1.55 3.64 7.41 0.00 -1.18 -4.80 105.19 110.14 3bga n GLY 182 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3bga n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 183 N -0.10 4.01 -0.16 1.61 1.02 -0.62 -4.85 119.74 120.64 3bga s LYS 183 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 3bga s LYS 183 Cb 0.00 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3bga s LYS 183 CO 0.00 0.10 1.64 -1.17 -0.92 0.00 0.00 175.35 175.00 3bga s LEU 184 N 0.90 4.03 -0.02 3.17 2.96 -1.26 -1.58 118.68 126.88 3bga s LEU 184 Ca 0.06 1.84 -0.14 0.00 -0.22 0.00 0.00 54.13 55.67 3bga s LEU 184 Cb -0.13 -3.53 -0.33 0.00 0.50 0.00 0.00 46.19 42.70 3bga s LEU 184 CO 0.03 -1.16 0.81 -0.07 -1.32 0.00 0.00 176.35 174.64 3bga h LEU 185 N 11.27 0.70 0.00 -0.68 3.38 -1.09 -3.49 115.31 125.40 3bga h LEU 185 Ca -0.36 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.69 3bga h LEU 185 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3bga h LEU 185 CO 0.98 1.73 0.00 0.61 0.09 0.00 0.00 178.44 181.85 3bga n GLY 186 N 1.79 -0.49 3.54 0.83 0.00 -1.21 -4.52 105.19 105.12 3bga n GLY 186 Ca -0.21 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3bga n GLY 186 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bga s TYR 187 N -3.76 0.73 -0.03 1.61 -0.85 -1.26 -1.62 117.35 112.16 3bga s TYR 187 Ca 0.00 -1.05 -0.21 0.00 -0.52 0.00 0.00 57.07 55.30 3bga s TYR 187 Cb 0.00 0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.45 3bga s TYR 187 CO 0.00 -1.09 0.45 1.21 -1.52 0.00 0.00 175.55 174.60 3bga s ASN 188 N -3.14 -0.37 -0.01 -0.18 2.47 -0.76 -2.81 114.94 110.14 3bga s ASN 188 Ca 0.27 0.34 0.02 0.00 0.42 0.00 0.00 52.86 53.91 3bga s ASN 188 Cb -0.00 0.42 -0.00 0.00 -1.45 0.00 0.00 41.25 40.21 3bga s ASN 188 CO 0.15 -0.50 -0.08 -1.10 -3.72 0.00 0.00 177.10 171.85 3bga s GLN 189 N -1.23 0.69 0.00 0.43 -0.21 -0.75 -2.87 119.66 115.72 3bga s GLN 189 Ca -0.12 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 54.98 3bga s GLN 189 Cb -0.03 -0.67 0.00 0.00 1.00 0.00 0.00 33.01 33.31 3bga s GLN 189 CO 0.06 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 3bga n GLY 190 N 3.00 1.66 0.58 3.09 0.00 -1.26 -4.84 105.19 107.41 3bga n GLY 190 Ca -0.15 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.27 3bga n GLY 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bga n SER 191 N 0.00 1.77 -0.16 1.61 3.41 -1.26 -4.35 113.62 114.64 3bga n SER 191 Ca 0.00 -1.63 0.02 0.00 -0.26 0.00 0.00 58.87 56.99 3bga n SER 191 Cb 0.00 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3bga n SER 191 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bga n LYS 192 N 0.38 1.50 -4.11 4.33 4.76 -1.26 -3.95 118.16 119.81 3bga n LYS 192 Ca 0.18 -1.26 -0.13 0.00 -2.87 0.00 0.00 58.31 54.22 3bga n LYS 192 Cb 0.38 -1.07 -0.11 0.00 -1.84 0.00 0.00 35.03 32.39 3bga n LYS 192 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3bga s THR 193 N -0.70 0.69 0.58 -0.18 -4.23 -1.26 -4.46 115.64 106.08 3bga s THR 193 Ca 0.06 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 3bga s THR 193 Cb 0.03 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 3bga s THR 193 CO 0.04 -0.48 1.15 0.00 -0.54 0.00 0.00 174.62 174.79 3bga s ALA 194 N -1.93 2.60 -0.09 3.99 0.00 -1.18 -4.58 121.76 120.58 3bga s ALA 194 Ca -0.03 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.80 3bga s ALA 194 Cb -0.06 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3bga s ALA 194 CO -0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 175.76 174.54 3bga s ALA 195 N -1.83 2.13 0.07 0.00 0.00 -0.54 -4.99 121.76 116.61 3bga s ALA 195 Ca 0.73 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.78 3bga s ALA 195 Cb -0.25 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3bga s ALA 195 CO 0.31 0.31 -0.16 -1.21 0.00 0.00 0.00 175.76 175.02 3bga s GLU 196 N 0.24 0.91 -0.01 0.00 2.02 -1.26 -1.68 118.70 118.91 3bga s GLU 196 Ca -0.15 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.86 3bga s GLU 196 Cb -0.17 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.09 3bga s GLU 196 CO 0.08 0.22 0.03 -1.58 0.02 0.00 0.00 175.26 174.03 3bga s TRP 197 N -1.18 -0.02 -0.41 1.61 0.51 -0.74 -0.94 118.94 117.78 3bga s TRP 197 Ca 0.00 0.10 -0.28 0.00 -2.12 0.00 0.00 56.10 53.81 3bga s TRP 197 Cb -0.10 -0.07 0.02 0.00 -0.81 0.00 0.00 33.47 32.52 3bga s TRP 197 CO 0.03 -0.04 1.04 0.34 -0.51 0.00 0.00 176.95 177.80 3bga s ASP 198 N 0.37 6.70 -0.06 2.95 -1.08 -1.26 -0.83 116.67 123.46 3bga s ASP 198 Ca -0.03 0.60 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 3bga s ASP 198 Cb -0.04 -2.51 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 3bga s ASP 198 CO -0.01 -1.03 1.45 2.30 0.52 0.00 0.00 175.17 178.40 3bga n ILE 199 N 6.31 1.46 -0.19 4.11 -5.35 -0.47 -4.75 119.36 120.48 3bga n ILE 199 Ca 0.10 -1.20 -0.11 0.00 -0.27 0.00 0.00 62.75 61.27 3bga n ILE 199 Cb 0.48 0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 3bga n ILE 199 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3bga h THR 200 N 3.01 0.05 0.00 7.28 2.02 -1.89 -1.15 112.91 122.23 3bga h THR 200 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3bga h THR 200 Cb 1.11 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3bga h THR 200 CO 0.11 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.47 3bga n ASP 201 N -5.39 0.00 -0.00 4.18 8.00 -1.26 -2.82 116.55 119.26 3bga n ASP 201 Ca -0.00 -0.46 0.06 0.00 0.71 0.00 0.00 54.79 55.10 3bga n ASP 201 Cb 0.34 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 3bga n ASP 201 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3bga n VAL 202 N -1.07 0.00 -1.74 2.53 0.31 -0.48 -5.01 118.33 112.87 3bga n VAL 202 Ca 0.13 -0.25 -0.34 0.00 -0.01 0.00 0.00 64.34 63.87 3bga n VAL 202 Cb 0.09 0.60 0.05 0.00 -0.91 0.00 0.00 33.84 33.67 3bga n VAL 202 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3bga s LEU 203 N -3.22 3.43 0.24 7.52 1.43 -0.91 -4.80 118.68 122.37 3bga s LEU 203 Ca -0.00 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.28 3bga s LEU 203 Cb 0.08 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 3bga s LEU 203 CO 0.50 -1.76 -0.01 -0.94 0.23 0.00 0.00 176.35 174.38 3bga s SER 204 N -2.26 1.92 0.07 2.29 1.04 -1.26 -5.07 113.70 110.43 3bga s SER 204 Ca 0.70 -1.22 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 3bga s SER 204 Cb -0.24 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 3bga s SER 204 CO 0.40 -0.50 1.14 -0.70 0.98 0.00 0.00 173.24 174.57 3bga s GLU 205 N -3.85 4.48 1.84 4.02 2.12 -1.26 -4.75 118.70 121.30 3bga s GLU 205 Ca 0.28 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.31 3bga s GLU 205 Cb 0.05 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3bga s GLU 205 CO 0.09 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 3bga n GLY 206 N 2.98 0.65 3.67 -1.50 0.00 -1.26 -4.92 105.19 104.83 3bga n GLY 206 Ca 0.07 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3bga n GLY 206 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bga s GLU 207 N 0.00 4.20 0.24 1.61 2.12 -1.26 -4.37 118.70 121.24 3bga s GLU 207 Ca 0.00 2.24 0.09 0.00 0.36 0.00 0.00 54.97 57.66 3bga s GLU 207 Cb 0.00 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3bga s GLU 207 CO 0.00 -0.77 -0.04 -0.80 -0.54 0.00 0.00 175.26 173.11 3bga s ASN 208 N 2.85 4.43 -0.04 -1.70 0.01 0.12 -4.90 114.94 115.72 3bga s ASN 208 Ca 0.73 -0.64 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 3bga s ASN 208 Cb -0.36 -0.79 0.00 0.00 0.41 0.00 0.00 41.25 40.51 3bga s ASN 208 CO 0.31 0.03 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.11 3bga s VAL 209 N -2.16 1.14 -0.06 1.60 1.01 -1.26 -1.02 120.40 119.65 3bga s VAL 209 Ca 0.30 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3bga s VAL 209 Cb -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3bga s VAL 209 CO 0.18 0.34 -0.14 0.54 0.00 0.00 0.00 175.10 176.03 3bga s VAL 210 N 0.28 1.24 -0.01 2.92 0.11 -0.86 0.10 120.40 124.19 3bga s VAL 210 Ca -0.07 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 3bga s VAL 210 Cb -0.12 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.63 3bga s VAL 210 CO 0.02 0.37 -0.05 0.00 -3.33 0.00 0.00 175.10 172.12 3bga s ALA 211 N 0.40 0.43 -0.08 1.54 0.00 -0.16 -2.06 121.76 121.83 3bga s ALA 211 Ca -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3bga s ALA 211 Cb -0.14 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3bga s ALA 211 CO 0.03 0.09 -0.17 -0.51 0.00 0.00 0.00 175.76 175.21 3bga s LEU 212 N -0.01 1.81 -0.45 0.00 1.43 -0.22 -1.28 118.68 119.96 3bga s LEU 212 Ca 0.01 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3bga s LEU 212 Cb -0.03 -1.04 0.12 0.00 0.03 0.00 0.00 46.19 45.26 3bga s LEU 212 CO -0.00 0.08 0.31 -0.70 0.23 0.00 0.00 176.35 176.26 3bga s GLU 213 N 0.54 2.36 -0.11 1.70 2.12 -0.61 -0.31 118.70 124.39 3bga s GLU 213 Ca -0.16 -1.77 -0.15 0.00 0.36 0.00 0.00 54.97 53.25 3bga s GLU 213 Cb -0.17 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 3bga s GLU 213 CO 0.06 -1.16 0.36 0.08 -0.54 0.00 0.00 175.26 174.07 3bga s VAL 214 N 1.31 5.22 -0.13 3.70 1.01 0.33 -2.37 120.40 129.47 3bga s VAL 214 Ca 0.06 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 3bga s VAL 214 Cb -0.25 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3bga s VAL 214 CO -0.02 0.43 -0.01 -0.31 0.00 0.00 0.00 175.10 175.19 3bga s TYR 215 N 0.09 3.10 0.10 5.22 2.02 0.42 -0.16 117.35 128.13 3bga s TYR 215 Ca 0.21 -0.04 -0.21 0.00 -0.37 0.00 0.00 57.07 56.66 3bga s TYR 215 Cb -0.14 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 3bga s TYR 215 CO 0.08 0.21 1.70 -0.09 -1.57 0.00 0.00 175.55 175.88 3bga h ARG 216 N 6.00 0.20 -6.49 -0.62 2.43 -1.50 -3.02 114.38 111.38 3bga h ARG 216 Ca -0.41 -0.02 -0.63 0.00 -0.81 0.00 0.00 59.98 58.11 3bga h ARG 216 Cb 1.19 -0.04 -0.16 0.00 -0.42 0.00 0.00 29.97 30.54 3bga h ARG 216 CO 0.60 0.21 -0.76 -1.58 -1.51 0.00 0.00 179.97 176.93 3bga s TRP 217 N -5.89 2.51 0.17 2.20 0.51 -1.26 -4.60 118.94 112.58 3bga s TRP 217 Ca -0.13 -0.27 -0.24 0.00 -2.12 0.00 0.00 56.10 53.34 3bga s TRP 217 Cb 0.07 -1.23 0.07 0.00 -0.81 0.00 0.00 33.47 31.57 3bga s TRP 217 CO 0.69 0.52 0.97 -1.54 -0.51 0.00 0.00 176.95 177.07 3bga s SER 218 N -2.81 -0.13 0.28 2.95 1.04 -1.26 -4.72 113.70 109.05 3bga s SER 218 Ca 0.24 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.18 3bga s SER 218 Cb -0.08 0.51 0.58 0.00 0.10 0.00 0.00 66.02 67.13 3bga s SER 218 CO 0.13 -0.96 1.79 0.28 0.98 0.00 0.00 173.24 175.46 3bga h SER 219 N 2.00 0.70 -0.22 7.02 0.02 -1.37 0.81 113.55 122.52 3bga h SER 219 Ca -0.25 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3bga h SER 219 Cb 1.23 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3bga h SER 219 CO 0.28 0.31 0.33 1.23 -1.14 0.00 0.00 176.83 177.84 3bga h GLY 220 N 0.76 0.00 2.00 -3.77 0.00 -1.86 -0.55 103.07 99.65 3bga h GLY 220 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 3bga h GLY 220 CO -0.34 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.08 3bga h ALA 221 N 1.55 1.35 0.00 3.60 0.00 -1.21 -1.61 119.26 122.94 3bga h ALA 221 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bga h ALA 221 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3bga h ALA 221 CO -0.00 0.16 0.00 1.88 0.00 0.00 0.00 179.25 181.28 3bga h TYR 222 N 0.00 0.00 -0.53 0.00 -1.99 -1.24 -1.42 116.97 111.78 3bga h TYR 222 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3bga h TYR 222 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3bga h TYR 222 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3bga n LEU 223 N -2.87 3.48 -2.65 3.88 4.77 -0.61 -4.03 117.00 118.96 3bga n LEU 223 Ca -0.01 -1.90 -0.21 0.00 -0.03 0.00 0.00 56.01 53.86 3bga n LEU 223 Cb 0.17 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3bga n LEU 223 CO 0.21 0.85 0.07 -0.62 -1.33 0.00 0.00 177.39 176.57 3bga n GLU 224 N 1.21 2.59 -1.30 3.23 1.02 -0.54 -0.14 120.64 126.72 3bga n GLU 224 Ca 0.19 -4.14 -0.33 0.00 -0.02 0.00 0.00 57.16 52.87 3bga n GLU 224 Cb 0.54 -1.93 0.10 0.00 -0.02 0.00 0.00 31.44 30.12 3bga n GLU 224 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bga s GLN 226 N -3.67 2.30 -0.88 0.00 1.11 -1.26 -4.45 119.66 112.80 3bga s GLN 226 Ca 0.62 1.70 -0.25 0.00 0.01 0.00 0.00 55.36 57.45 3bga s GLN 226 Cb 0.50 -1.86 0.02 0.00 -1.01 0.00 0.00 33.01 30.65 3bga s GLN 226 CO 0.01 -1.70 1.56 0.34 0.01 0.00 0.00 175.29 175.51 3bga s ASP 227 N -2.10 5.99 0.25 5.90 2.15 -1.26 -4.85 116.67 122.74 3bga s ASP 227 Ca 0.73 -0.84 -0.30 0.00 0.43 0.00 0.00 52.55 52.58 3bga s ASP 227 Cb -0.28 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.69 3bga s ASP 227 CO 0.44 -1.95 1.23 0.26 -0.17 0.00 0.00 175.17 174.98 3bga s TRP 229 N 6.72 3.33 -0.46 -5.34 0.52 -1.26 -4.99 118.94 117.45 3bga s TRP 229 Ca 0.51 1.44 -0.15 0.00 0.02 0.00 0.00 56.10 57.92 3bga s TRP 229 Cb -0.05 -3.50 0.07 0.00 -1.15 0.00 0.00 33.47 28.84 3bga s TRP 229 CO 0.02 -1.38 0.37 1.03 0.02 0.00 0.00 176.95 177.00 3bga s ARG 230 N -0.89 2.94 0.26 4.98 1.81 0.58 -5.01 118.95 123.62 3bga s ARG 230 Ca 0.51 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 3bga s ARG 230 Cb -0.35 -4.07 0.00 0.00 -0.45 0.00 0.00 34.95 30.08 3bga s ARG 230 CO 0.42 -0.98 0.02 1.28 -0.68 0.00 0.00 175.30 175.36 3bga n LEU 231 N 5.16 0.00 -4.14 2.53 4.77 -1.26 -3.53 117.00 120.54 3bga n LEU 231 Ca -0.12 -1.59 -0.11 0.00 -0.03 0.00 0.00 56.01 54.17 3bga n LEU 231 Cb 0.44 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 3bga n LEU 231 CO 0.45 -0.24 -0.20 -0.44 -1.33 0.00 0.00 177.39 175.63 3bga s SER 232 N -2.42 0.18 0.00 -1.43 0.01 -1.26 -4.88 113.70 103.89 3bga s SER 232 Ca 0.01 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.05 3bga s SER 232 Cb -0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 3bga s SER 232 CO 0.01 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.44 3bga n GLY 233 N -0.21 -2.42 3.59 3.44 0.00 -1.26 -1.76 105.19 106.58 3bga n GLY 233 Ca -0.02 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3bga n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bga s ILE 234 N -0.28 4.18 -0.01 -0.61 1.01 -1.26 -0.82 121.20 123.41 3bga s ILE 234 Ca 0.00 1.14 0.10 0.00 0.00 0.00 0.00 60.65 61.89 3bga s ILE 234 Cb 0.00 -4.62 -0.23 0.00 0.01 0.00 0.00 42.46 37.62 3bga s ILE 234 CO 0.00 -1.07 0.80 -0.33 0.00 0.00 0.00 174.94 174.35 3bga h GLU 235 N 9.28 0.02 -5.30 2.79 5.08 -1.24 0.25 114.58 125.47 3bga h GLU 235 Ca -0.23 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 57.54 3bga h GLU 235 Cb 1.06 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 3bga h GLU 235 CO 1.13 0.66 -0.58 1.03 -1.00 0.00 0.00 179.01 180.25 3bga s ARG 236 N -2.62 1.85 0.43 2.33 0.52 -0.44 -4.10 118.95 116.92 3bga s ARG 236 Ca -0.04 -2.07 -0.22 0.00 -0.52 0.00 0.00 55.73 52.88 3bga s ARG 236 Cb 0.08 -1.10 -0.13 0.00 0.52 0.00 0.00 34.95 34.33 3bga s ARG 236 CO 0.82 -0.23 0.49 -0.25 0.02 0.00 0.00 175.30 176.15 3bga n ASP 237 N -0.94 -1.14 -4.09 0.23 8.00 -1.26 -4.40 116.55 112.96 3bga n ASP 237 Ca -0.06 0.88 -0.28 0.00 0.71 0.00 0.00 54.79 56.04 3bga n ASP 237 Cb 0.66 -1.09 -0.17 0.00 -0.02 0.00 0.00 41.12 40.51 3bga n ASP 237 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bga s VAL 238 N -1.52 1.49 0.31 2.53 1.01 -1.26 -1.43 120.40 121.52 3bga s VAL 238 Ca 0.63 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3bga s VAL 238 Cb -0.59 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3bga s VAL 238 CO 0.58 0.43 0.58 -0.72 0.00 0.00 0.00 175.10 175.97 3bga s TYR 239 N 0.65 0.45 0.09 5.22 -0.85 -0.33 -0.57 117.35 122.01 3bga s TYR 239 Ca -0.14 -0.86 0.10 0.00 -0.52 0.00 0.00 57.07 55.65 3bga s TYR 239 Cb -0.16 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.46 3bga s TYR 239 CO 0.04 -1.20 -0.26 -0.51 -1.52 0.00 0.00 175.55 172.10 3bga s LEU 240 N -3.08 2.24 -0.02 -3.49 1.02 -1.26 -0.86 118.68 113.23 3bga s LEU 240 Ca 0.22 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.65 3bga s LEU 240 Cb -0.02 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.97 3bga s LEU 240 CO 0.13 0.21 0.12 -0.72 0.02 0.00 0.00 176.35 176.10 3bga s TYR 241 N -0.94 -0.02 -0.06 0.29 -0.85 -0.85 -4.39 117.35 110.54 3bga s TYR 241 Ca 0.12 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.76 3bga s TYR 241 Cb -0.10 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3bga s TYR 241 CO 0.04 -0.18 -0.22 0.45 -1.52 0.00 0.00 175.55 174.12 3bga s SER 242 N -0.77 3.34 0.22 -0.18 0.15 0.52 -0.94 113.70 116.05 3bga s SER 242 Ca -0.09 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3bga s SER 242 Cb -0.05 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.35 3bga s SER 242 CO 0.01 0.26 0.04 0.42 1.20 0.00 0.00 173.24 175.17 3bga s THR 243 N -0.27 0.68 1.07 6.45 -4.23 -0.25 -4.71 115.64 114.39 3bga s THR 243 Ca -0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 3bga s THR 243 Cb -0.13 -2.39 0.23 0.00 1.34 0.00 0.00 72.50 71.55 3bga s THR 243 CO 0.03 -0.24 1.17 -2.16 -0.54 0.00 0.00 174.62 172.88 3bga s PRO 244 N -3.96 -0.14 0.34 3.99 0.04 -1.26 0.12 135.00 134.13 3bga s PRO 244 Ca 0.31 -0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.33 3bga s PRO 244 Cb 0.07 -1.72 0.62 0.00 0.04 0.00 0.00 34.50 33.51 3bga s PRO 244 CO 0.09 -3.00 1.92 0.87 0.04 0.00 0.00 177.00 176.92 3bga h LYS 245 N -2.07 0.61 -5.10 4.56 1.79 -1.92 -3.37 116.57 111.07 3bga h LYS 245 Ca -0.47 -0.10 -0.64 0.00 -2.18 0.00 0.00 60.65 57.26 3bga h LYS 245 Cb 1.29 -0.10 -0.21 0.00 -1.58 0.00 0.00 32.23 31.62 3bga h LYS 245 CO 0.42 0.55 -0.63 -1.14 -1.08 0.00 0.00 179.45 177.57 3bga s GLN 246 N -5.19 3.70 0.28 3.15 0.74 -1.26 -4.11 119.66 116.96 3bga s GLN 246 Ca -0.08 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.87 3bga s GLN 246 Cb 0.16 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 3bga s GLN 246 CO 0.76 0.01 0.26 1.52 -0.55 0.00 0.00 175.29 177.29 3bga s TYR 247 N 1.05 1.37 -0.47 1.67 -0.85 0.29 -4.97 117.35 115.45 3bga s TYR 247 Ca 0.03 -1.46 -0.24 0.00 -0.52 0.00 0.00 57.07 54.88 3bga s TYR 247 Cb -0.14 -0.53 0.03 0.00 0.38 0.00 0.00 41.96 41.69 3bga s TYR 247 CO 0.02 -0.82 0.83 0.42 -1.52 0.00 0.00 175.55 174.48 3bga s ILE 248 N -3.70 4.59 -0.18 -3.49 1.01 -1.26 -1.28 121.20 116.89 3bga s ILE 248 Ca 0.38 0.45 0.20 0.00 0.00 0.00 0.00 60.65 61.68 3bga s ILE 248 Cb 0.04 -4.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3bga s ILE 248 CO 0.20 -0.79 0.91 0.00 0.00 0.00 0.00 174.94 175.26 3bga n ALA 249 N 6.88 2.27 -3.61 9.38 0.00 -0.07 -4.86 120.51 130.50 3bga n ALA 249 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 3bga n ALA 249 Cb 0.48 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 3bga n ALA 249 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bga s ASP 250 N -5.51 -0.11 -0.21 0.00 2.15 -1.15 -4.57 116.67 107.26 3bga s ASP 250 Ca -0.02 0.01 -0.27 0.00 0.43 0.00 0.00 52.55 52.70 3bga s ASP 250 Cb 0.09 0.12 0.08 0.00 -0.30 0.00 0.00 42.92 42.91 3bga s ASP 250 CO 0.80 -0.19 0.78 -0.72 -0.17 0.00 0.00 175.17 175.68 3bga s TYR 251 N -2.25 -0.68 -0.17 -5.34 -0.85 -1.26 -0.22 117.35 106.59 3bga s TYR 251 Ca 0.10 1.51 -0.00 0.00 -0.52 0.00 0.00 57.07 58.15 3bga s TYR 251 Cb -0.01 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.67 3bga s TYR 251 CO -0.04 -0.41 -0.15 0.21 -1.52 0.00 0.00 175.55 173.63 3bga s LYS 252 N -0.15 3.19 0.01 -3.49 2.20 -0.27 -4.79 119.74 116.42 3bga s LYS 252 Ca -0.02 -0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 54.83 3bga s LYS 252 Cb -0.03 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 3bga s LYS 252 CO 0.02 -0.05 0.10 0.08 -0.36 0.00 0.00 175.35 175.14 3bga s VAL 253 N 0.98 4.86 -0.22 4.02 1.01 -1.26 -2.38 120.40 127.41 3bga s VAL 253 Ca -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3bga s VAL 253 Cb -0.15 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.06 3bga s VAL 253 CO -0.03 0.31 0.11 -0.55 0.00 0.00 0.00 175.10 174.94 3bga s SER 254 N -1.87 2.85 -0.50 3.32 0.15 -0.71 -4.82 113.70 112.11 3bga s SER 254 Ca 0.25 -0.90 0.03 0.00 0.70 0.00 0.00 55.95 56.03 3bga s SER 254 Cb -0.12 -0.29 0.14 0.00 -1.71 0.00 0.00 66.02 64.03 3bga s SER 254 CO 0.16 -0.39 0.28 0.00 1.20 0.00 0.00 173.24 174.49 3bga s ALA 255 N 2.12 2.86 0.00 5.45 0.00 -1.26 -0.81 121.76 130.12 3bga s ALA 255 Ca 0.05 -3.05 0.00 0.00 0.00 0.00 0.00 51.96 48.96 3bga s ALA 255 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.92 3bga s ALA 255 CO -0.21 -2.04 0.00 -1.13 0.00 0.00 0.00 175.76 172.38 3bga n SER 256 N 3.16 1.17 -4.32 0.00 3.41 -0.69 -2.45 113.62 113.90 3bga n SER 256 Ca 0.08 -0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.28 3bga n SER 256 Cb 0.34 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 3bga n SER 256 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bga s LEU 257 N 0.00 2.35 0.35 1.04 1.43 -1.26 -0.21 118.68 122.38 3bga s LEU 257 Ca 0.00 -1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 51.68 3bga s LEU 257 Cb 0.00 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.76 3bga s LEU 257 CO 0.00 -0.41 1.22 1.51 0.23 0.00 0.00 176.35 178.89 3bga s ASP 258 N -3.28 6.76 0.00 2.29 -4.77 -0.18 -4.81 116.67 112.68 3bga s ASP 258 Ca 0.25 2.49 0.24 0.00 -3.30 0.00 0.00 52.55 52.22 3bga s ASP 258 Cb 0.04 -2.63 1.23 0.00 -1.09 0.00 0.00 42.92 40.47 3bga s ASP 258 CO 0.07 -0.52 1.80 0.29 0.70 0.00 0.00 175.17 177.50 3bga n LYS 259 N 0.60 0.37 -0.06 2.11 4.76 -1.26 -0.74 118.16 123.94 3bga n LYS 259 Ca 0.01 0.06 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 3bga n LYS 259 Cb 0.44 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 3bga n LYS 259 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3bga h GLU 260 N 0.00 0.00 -0.03 1.97 5.08 -2.01 -3.42 114.58 116.17 3bga h GLU 260 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bga h GLU 260 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3bga h GLU 260 CO 0.00 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 3bga n LYS 261 N -4.69 0.26 -4.09 2.33 5.02 -1.25 -5.02 118.16 110.72 3bga n LYS 261 Ca -0.05 -0.95 -0.31 0.00 -2.02 0.00 0.00 58.31 54.97 3bga n LYS 261 Cb 0.17 -1.09 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3bga n LYS 261 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3bga n TYR 262 N 0.20 -1.74 0.00 2.13 4.01 0.08 -4.83 117.16 117.00 3bga n TYR 262 Ca 0.03 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.55 3bga n TYR 262 Cb 0.15 -3.36 0.00 0.00 -0.31 0.00 0.00 39.34 35.82 3bga n TYR 262 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3bga n LYS 263 N -4.42 2.73 -3.16 -0.72 4.76 -1.26 -4.86 118.16 111.23 3bga n LYS 263 Ca -0.10 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 3bga n LYS 263 Cb 0.58 -0.90 -0.06 0.00 -1.84 0.00 0.00 35.03 32.81 3bga n LYS 263 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3bga s GLU 264 N -1.79 4.25 0.24 1.97 2.12 -1.26 -2.71 118.70 121.52 3bga s GLU 264 Ca 0.00 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.62 3bga s GLU 264 Cb 0.00 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 3bga s GLU 264 CO 0.00 -0.13 1.04 0.20 -0.54 0.00 0.00 175.26 175.83 3bga s GLY 265 N 1.06 3.05 -0.30 -1.50 0.00 0.77 -1.01 107.32 109.39 3bga s GLY 265 Ca 0.28 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3bga s GLY 265 CO 0.11 1.41 -0.02 -0.42 0.00 0.00 0.00 173.10 174.19 3bga s ILE 266 N -0.98 2.65 -0.23 0.90 -1.09 0.71 -1.39 121.20 121.77 3bga s ILE 266 Ca 0.44 -1.62 -0.09 0.00 -2.23 0.00 0.00 60.65 57.15 3bga s ILE 266 Cb -0.29 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3bga s ILE 266 CO 0.36 -0.17 0.13 0.12 -1.23 0.00 0.00 174.94 174.15 3bga s PHE 267 N 1.16 3.25 -0.01 3.97 5.36 -0.18 -1.71 117.98 129.83 3bga s PHE 267 Ca -0.04 0.07 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 3bga s PHE 267 Cb -0.20 -2.24 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 3bga s PHE 267 CO -0.03 -0.02 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.78 3bga s ASN 268 N 1.10 1.49 -0.02 6.13 0.01 0.01 -1.00 114.94 122.66 3bga s ASN 268 Ca 0.06 -0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 3bga s ASN 268 Cb -0.14 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.36 3bga s ASN 268 CO 0.04 0.15 0.08 -0.22 -1.51 0.00 0.00 177.10 175.64 3bga s LEU 269 N -0.36 1.73 -0.02 0.60 2.96 -1.26 -1.74 118.68 120.59 3bga s LEU 269 Ca 0.05 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3bga s LEU 269 Cb -0.05 0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.96 3bga s LEU 269 CO -0.00 -0.09 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.28 3bga s GLU 270 N -0.27 0.52 0.03 1.98 2.02 -1.00 -1.22 118.70 120.77 3bga s GLU 270 Ca -0.03 -0.12 0.05 0.00 0.02 0.00 0.00 54.97 54.88 3bga s GLU 270 Cb -0.02 -0.55 -0.02 0.00 0.10 0.00 0.00 34.13 33.64 3bga s GLU 270 CO 0.00 0.02 -0.14 0.08 0.02 0.00 0.00 175.26 175.24 3bga s VAL 271 N 0.35 1.10 -0.19 2.63 1.01 0.59 -1.12 120.40 124.77 3bga s VAL 271 Ca -0.04 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3bga s VAL 271 Cb -0.08 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3bga s VAL 271 CO -0.00 0.03 -0.16 -0.89 0.00 0.00 0.00 175.10 174.08 3bga s THR 272 N -0.80 2.38 -0.12 3.92 2.01 0.69 0.08 115.64 123.80 3bga s THR 272 Ca 0.02 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3bga s THR 272 Cb -0.08 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3bga s THR 272 CO 0.01 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.81 3bga s VAL 273 N 1.32 4.66 0.19 3.82 1.01 -0.07 -0.89 120.40 130.44 3bga s VAL 273 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3bga s VAL 273 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3bga s VAL 273 CO -0.10 0.57 -0.06 -1.61 0.00 0.00 0.00 175.10 173.90 3bga s GLU 274 N -0.60 1.20 0.00 2.72 2.02 -0.40 0.40 118.70 124.04 3bga s GLU 274 Ca 0.11 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.54 3bga s GLU 274 Cb -0.12 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.45 3bga s GLU 274 CO 0.02 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.73 3bga n GLY 275 N -0.30 2.60 3.77 -1.39 0.00 -0.18 -0.55 105.19 109.14 3bga n GLY 275 Ca -0.08 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 3bga n GLY 275 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bga s PRO 276 N -4.09 3.69 -0.30 1.61 0.04 -1.26 -4.65 135.00 130.04 3bga s PRO 276 Ca 0.00 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 3bga s PRO 276 Cb 0.00 -2.31 0.16 0.00 0.04 0.00 0.00 34.50 32.39 3bga s PRO 276 CO 0.00 -0.59 0.64 0.45 0.04 0.00 0.00 177.00 177.54 3bga s SER 277 N -1.49 -1.24 0.16 6.66 0.15 -1.26 -4.30 113.70 112.38 3bga s SER 277 Ca 0.65 1.18 0.12 0.00 0.70 0.00 0.00 55.95 58.61 3bga s SER 277 Cb -0.27 2.20 -0.10 0.00 -1.71 0.00 0.00 66.02 66.15 3bga s SER 277 CO 0.32 -0.23 1.22 0.00 1.20 0.00 0.00 173.24 175.74 3bga h ALA 278 N 7.99 0.56 -6.30 5.45 0.00 -1.97 -3.42 119.26 121.56 3bga h ALA 278 Ca -0.20 -0.78 -0.43 0.00 0.00 0.00 0.00 54.91 53.49 3bga h ALA 278 Cb 1.13 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.94 3bga h ALA 278 CO 0.18 1.00 -0.06 0.25 0.00 0.00 0.00 179.25 180.62 3bga n THR 279 N -3.21 0.00 -2.03 0.00 -2.24 -1.26 -4.96 114.28 100.59 3bga n THR 279 Ca -0.02 -1.72 -0.29 0.00 -2.27 0.00 0.00 64.05 59.74 3bga n THR 279 Cb 0.86 -0.57 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 3bga n THR 279 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga s ALA 280 N -2.62 3.02 0.19 6.98 0.00 -1.26 -4.76 121.76 123.32 3bga s ALA 280 Ca 0.54 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 3bga s ALA 280 Cb -0.04 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.23 3bga s ALA 280 CO 0.34 -1.00 0.99 -1.54 0.00 0.00 0.00 175.76 174.55 3bga s SER 281 N -4.33 -0.06 0.17 0.00 1.04 -0.86 -2.91 113.70 106.76 3bga s SER 281 Ca 0.57 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 3bga s SER 281 Cb -0.11 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3bga s SER 281 CO 0.50 -1.02 0.37 -0.94 0.98 0.00 0.00 173.24 173.13 3bga s SER 282 N -3.22 -0.08 -0.12 7.02 1.04 -0.99 -0.36 113.70 116.99 3bga s SER 282 Ca 0.18 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3bga s SER 282 Cb -0.02 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3bga s SER 282 CO 0.05 -0.94 -0.11 -0.51 0.98 0.00 0.00 173.24 172.71 3bga s ILE 283 N -3.91 1.25 0.19 -1.02 1.10 -0.69 -0.63 121.20 117.49 3bga s ILE 283 Ca 0.12 -0.45 0.10 0.00 -0.51 0.00 0.00 60.65 59.91 3bga s ILE 283 Cb 0.02 -1.20 -0.04 0.00 0.15 0.00 0.00 42.46 41.38 3bga s ILE 283 CO -0.03 0.40 -0.20 0.00 -2.11 0.00 0.00 174.94 173.00 3bga s ALA 284 N 1.44 2.29 0.04 1.50 0.00 -0.11 -1.70 121.76 125.23 3bga s ALA 284 Ca 0.01 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.38 3bga s ALA 284 Cb -0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3bga s ALA 284 CO -0.07 0.30 -0.05 1.52 0.00 0.00 0.00 175.76 177.45 3bga s TYR 285 N -2.05 0.50 -0.04 0.00 -0.85 -0.42 -0.69 117.35 113.81 3bga s TYR 285 Ca 0.20 -0.58 -0.01 0.00 -0.52 0.00 0.00 57.07 56.15 3bga s TYR 285 Cb -0.06 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 41.99 3bga s TYR 285 CO 0.09 -0.15 0.03 0.99 -1.52 0.00 0.00 175.55 174.99 3bga s THR 286 N -1.76 0.04 -0.36 -3.49 2.01 -0.53 -2.28 115.64 109.27 3bga s THR 286 Ca -0.10 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 3bga s THR 286 Cb -0.08 -0.24 -0.00 0.00 0.01 0.00 0.00 72.50 72.19 3bga s THR 286 CO -0.01 0.18 0.27 -0.22 -0.69 0.00 0.00 174.62 174.14 3bga s LEU 287 N 1.76 4.72 0.08 4.42 2.96 0.81 -1.30 118.68 132.13 3bga s LEU 287 Ca 0.00 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3bga s LEU 287 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3bga s LEU 287 CO -0.03 -0.32 0.08 -0.54 -1.32 0.00 0.00 176.35 174.22 3bga s LYS 288 N 1.73 2.87 0.86 1.98 1.02 0.45 -0.03 119.74 128.62 3bga s LYS 288 Ca 0.06 -0.71 -0.09 0.00 0.02 0.00 0.00 55.97 55.25 3bga s LYS 288 Cb -0.18 -2.71 0.18 0.00 -0.52 0.00 0.00 37.83 34.59 3bga s LYS 288 CO 0.10 0.56 1.19 0.16 -0.92 0.00 0.00 175.35 176.44 3bga s ASP 289 N -2.42 3.58 0.45 2.83 1.47 -0.72 0.28 116.67 122.14 3bga s ASP 289 Ca 0.29 -0.08 0.12 0.00 1.18 0.00 0.00 52.55 54.06 3bga s ASP 289 Cb -0.12 -0.07 1.02 0.00 -0.34 0.00 0.00 42.92 43.41 3bga s ASP 289 CO 0.22 -2.40 2.06 0.00 0.68 0.00 0.00 175.17 175.73 3bga h ALA 290 N -1.17 1.88 -0.79 2.11 0.00 -1.92 -1.85 119.26 117.52 3bga h ALA 290 Ca -0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3bga h ALA 290 Cb 1.24 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3bga h ALA 290 CO 0.37 0.07 0.33 1.03 0.00 0.00 0.00 179.25 181.05 3bga h SER 291 N 0.36 1.08 0.00 0.00 0.87 -1.94 -3.47 113.55 110.46 3bga h SER 291 Ca 0.14 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3bga h SER 291 Cb 0.13 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3bga h SER 291 CO -0.03 0.95 0.00 0.61 -0.53 0.00 0.00 176.83 177.83 3bga n GLY 292 N -0.91 1.13 3.72 5.77 0.00 -0.70 -5.11 105.19 109.09 3bga n GLY 292 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3bga n GLY 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 293 N 0.00 4.54 0.28 1.61 2.20 -1.26 -4.73 119.74 122.37 3bga s LYS 293 Ca 0.00 1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.90 3bga s LYS 293 Cb 0.00 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 3bga s LYS 293 CO 0.00 -0.07 1.32 0.00 -0.36 0.00 0.00 175.35 176.24 3bga s ALA 294 N 0.74 3.53 0.00 3.13 0.00 -1.26 -1.75 121.76 126.14 3bga s ALA 294 Ca 0.53 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.71 3bga s ALA 294 Cb -0.25 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3bga s ALA 294 CO 0.30 -0.61 0.00 1.33 0.00 0.00 0.00 175.76 176.78 3bga n VAL 295 N 1.57 0.00 -4.12 0.00 0.24 0.96 -4.93 118.33 112.05 3bga n VAL 295 Ca 0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.18 3bga n VAL 295 Cb 0.42 -0.96 -0.14 0.00 -1.47 0.00 0.00 33.84 31.68 3bga n VAL 295 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bga s LEU 296 N -3.90 2.02 -0.09 1.34 1.43 -1.14 -4.98 118.68 113.36 3bga s LEU 296 Ca 0.00 -0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 3bga s LEU 296 Cb 0.00 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 46.04 3bga s LEU 296 CO 0.00 0.04 0.51 -1.58 0.23 0.00 0.00 176.35 175.56 3bga s GLN 297 N -0.18 0.79 0.05 1.70 0.74 -1.26 -0.13 119.66 121.36 3bga s GLN 297 Ca 0.01 0.28 -0.28 0.00 0.05 0.00 0.00 55.36 55.42 3bga s GLN 297 Cb -0.02 0.37 0.09 0.00 1.10 0.00 0.00 33.01 34.55 3bga s GLN 297 CO -0.00 -0.20 1.08 0.34 -0.55 0.00 0.00 175.29 175.97 3bga s ASP 298 N -0.74 -0.16 -0.13 6.67 -1.08 -0.97 -5.01 116.67 115.27 3bga s ASP 298 Ca -0.08 -0.23 -0.29 0.00 -0.52 0.00 0.00 52.55 51.43 3bga s ASP 298 Cb -0.03 0.33 0.08 0.00 -1.46 0.00 0.00 42.92 41.85 3bga s ASP 298 CO 0.05 -0.61 0.75 0.00 0.52 0.00 0.00 175.17 175.88 3bga s ALA 299 N -2.90 -1.80 0.00 3.66 0.00 -1.26 -1.30 121.76 118.16 3bga s ALA 299 Ca 0.12 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3bga s ALA 299 Cb 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3bga s ALA 299 CO -0.02 -0.35 -0.12 0.42 0.00 0.00 0.00 175.76 175.69 3bga s ILE 300 N -0.75 0.96 0.21 0.00 -1.09 -0.69 -4.99 121.20 114.86 3bga s ILE 300 Ca -0.07 -0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 57.59 3bga s ILE 300 Cb -0.01 -0.83 -0.07 0.00 -1.58 0.00 0.00 42.46 39.96 3bga s ILE 300 CO 0.06 0.18 0.59 0.20 -1.23 0.00 0.00 174.94 174.75 3bga s ASN 301 N -0.51 6.76 0.02 3.58 0.02 -1.26 -1.70 114.94 121.85 3bga s ASN 301 Ca 0.03 1.08 0.00 0.00 -1.02 0.00 0.00 52.86 52.95 3bga s ASN 301 Cb -0.05 -2.29 -0.02 0.00 0.02 0.00 0.00 41.25 38.91 3bga s ASN 301 CO -0.00 -0.02 -0.03 0.27 0.02 0.00 0.00 177.10 177.34 3bga s ILE 302 N -1.68 0.15 -0.29 0.60 -4.36 0.52 -4.96 121.20 111.16 3bga s ILE 302 Ca 0.44 -0.93 -0.13 0.00 -0.26 0.00 0.00 60.65 59.77 3bga s ILE 302 Cb -0.13 -0.30 0.12 0.00 1.25 0.00 0.00 42.46 43.40 3bga s ILE 302 CO 0.20 -0.50 0.74 -0.75 0.24 0.00 0.00 174.94 174.87 3bga s LYS 303 N -1.50 0.57 -0.10 0.37 2.20 -1.26 -2.02 119.74 118.00 3bga s LYS 303 Ca -0.15 1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 3bga s LYS 303 Cb -0.10 0.49 0.10 0.00 -1.51 0.00 0.00 37.83 36.82 3bga s LYS 303 CO -0.01 -0.16 0.86 0.45 -0.36 0.00 0.00 175.35 176.14 3bga s SER 304 N 2.26 -0.47 0.00 1.43 0.15 -1.26 -5.00 113.70 110.80 3bga s SER 304 Ca -0.07 0.45 0.25 0.00 0.70 0.00 0.00 55.95 57.28 3bga s SER 304 Cb -0.08 0.40 0.41 0.00 -1.71 0.00 0.00 66.02 65.04 3bga s SER 304 CO -0.19 -0.48 1.35 0.54 1.20 0.00 0.00 173.24 175.66 3bga n ARG 305 N 0.65 0.88 -1.37 5.44 5.12 -1.26 -4.53 116.66 121.59 3bga n ARG 305 Ca -0.13 -0.62 -0.29 0.00 -1.93 0.00 0.00 57.85 54.88 3bga n ARG 305 Cb 0.58 -1.49 0.23 0.00 -1.16 0.00 0.00 32.46 30.62 3bga n ARG 305 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bga n GLY 306 N 1.39 -2.25 0.85 -0.13 0.00 -1.26 -4.91 105.19 98.88 3bga n GLY 306 Ca 0.10 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.61 3bga n GLY 306 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bga n LEU 307 N 0.00 3.33 -3.61 0.99 4.77 -1.26 -4.66 117.00 116.55 3bga n LEU 307 Ca 0.15 -2.14 -0.15 0.00 -0.03 0.00 0.00 56.01 53.84 3bga n LEU 307 Cb 0.57 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 3bga n LEU 307 CO 0.40 0.77 0.40 -0.94 -1.33 0.00 0.00 177.39 176.70 3bga s SER 308 N -1.09 -0.70 -0.08 -1.43 1.04 -1.26 -1.01 113.70 109.17 3bga s SER 308 Ca 0.31 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.94 3bga s SER 308 Cb 0.18 1.16 0.02 0.00 0.10 0.00 0.00 66.02 67.48 3bga s SER 308 CO 0.18 -0.35 -0.09 0.20 0.98 0.00 0.00 173.24 174.16 3bga s ASN 309 N -0.10 1.86 -0.28 7.02 -0.87 0.16 -4.96 114.94 117.76 3bga s ASN 309 Ca -0.03 -0.28 -0.13 0.00 -1.57 0.00 0.00 52.86 50.85 3bga s ASN 309 Cb -0.03 -0.79 -0.04 0.00 -0.02 0.00 0.00 41.25 40.37 3bga s ASN 309 CO 0.04 -0.04 0.27 0.12 -2.57 0.00 0.00 177.10 174.91 3bga s PHE 310 N 1.14 3.23 -0.21 2.20 5.36 -1.26 -0.89 117.98 127.55 3bga s PHE 310 Ca -0.06 0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 56.08 3bga s PHE 310 Cb -0.14 -2.47 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 3bga s PHE 310 CO -0.02 -0.22 -0.10 0.42 -1.46 0.00 0.00 175.22 173.85 3bga s ILE 311 N 1.88 2.85 -0.31 3.12 -1.09 0.11 -4.98 121.20 122.79 3bga s ILE 311 Ca 0.10 -0.71 -0.06 0.00 -2.23 0.00 0.00 60.65 57.75 3bga s ILE 311 Cb -0.16 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.46 3bga s ILE 311 CO 0.11 0.44 0.08 0.00 -1.23 0.00 0.00 174.94 174.34 3bga s ALA 312 N 1.40 3.03 0.47 9.38 0.00 -1.26 -0.30 121.76 134.47 3bga s ALA 312 Ca 0.05 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 3bga s ALA 312 Cb -0.14 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 3bga s ALA 312 CO -0.07 -1.10 0.95 -0.06 0.00 0.00 0.00 175.76 175.48 3bga s PHE 313 N 1.44 3.39 0.45 0.00 0.08 -0.36 -5.02 117.98 117.97 3bga s PHE 313 Ca 0.01 1.50 -0.25 0.00 0.12 0.00 0.00 56.93 58.31 3bga s PHE 313 Cb -0.18 -2.79 -0.08 0.00 -0.57 0.00 0.00 43.02 39.40 3bga s PHE 313 CO 0.02 -0.24 1.34 -0.51 -0.10 0.00 0.00 175.22 175.74 3bga s ASP 314 N -2.68 5.97 0.31 1.36 1.11 -1.26 -4.49 116.67 116.98 3bga s ASP 314 Ca 0.60 2.73 -0.29 0.00 0.18 0.00 0.00 52.55 55.77 3bga s ASP 314 Cb -0.10 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.15 3bga s ASP 314 CO 0.23 -1.09 1.26 -0.70 1.18 0.00 0.00 175.17 176.05 3bga s GLU 315 N -2.47 4.42 0.31 8.23 2.12 -1.26 -4.79 118.70 125.26 3bga s GLU 315 Ca 0.61 2.12 0.10 0.00 0.36 0.00 0.00 54.97 58.16 3bga s GLU 315 Cb -0.39 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 3bga s GLU 315 CO 0.50 -0.11 -0.12 0.15 -0.54 0.00 0.00 175.26 175.14 3bga s LYS 316 N -1.59 1.72 0.09 4.30 -0.14 -0.18 -4.99 119.74 118.95 3bga s LYS 316 Ca 0.49 -1.86 0.06 0.00 -1.36 0.00 0.00 55.97 53.30 3bga s LYS 316 Cb -0.38 -1.60 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 3bga s LYS 316 CO 0.49 0.17 -0.17 0.15 -0.76 0.00 0.00 175.35 175.23 3bga s LYS 317 N -3.61 0.96 -0.22 1.68 -0.14 -1.26 -1.01 119.74 116.15 3bga s LYS 317 Ca 0.31 -1.06 -0.02 0.00 -1.36 0.00 0.00 55.97 53.84 3bga s LYS 317 Cb 0.01 -1.07 0.06 0.00 -1.68 0.00 0.00 37.83 35.15 3bga s LYS 317 CO 0.15 0.24 0.02 0.42 -0.76 0.00 0.00 175.35 175.42 3bga s ILE 318 N -1.29 0.83 0.33 2.17 -1.09 -0.48 -4.97 121.20 116.70 3bga s ILE 318 Ca 0.02 -0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 57.35 3bga s ILE 318 Cb -0.10 -1.30 -0.09 0.00 -1.58 0.00 0.00 42.46 39.39 3bga s ILE 318 CO 0.03 -0.22 1.11 0.00 -1.23 0.00 0.00 174.94 174.63 3bga s ALA 319 N 1.71 3.30 -1.39 9.38 0.00 -1.26 -0.16 121.76 133.34 3bga s ALA 319 Ca -0.01 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3bga s ALA 319 Cb -0.18 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3bga s ALA 319 CO -0.09 -0.26 0.59 0.39 0.00 0.00 0.00 175.76 176.39 3bga n GLU 320 N 0.72 -4.12 -2.20 0.00 1.02 -1.23 -4.91 120.64 109.93 3bga n GLU 320 Ca 0.01 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.29 3bga n GLU 320 Cb 0.46 -4.89 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 3bga n GLU 320 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bga s VAL 321 N -3.76 3.01 -0.47 2.62 0.11 -1.10 -4.93 120.40 115.88 3bga s VAL 321 Ca 0.09 0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 59.55 3bga s VAL 321 Cb -0.05 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.50 3bga s VAL 321 CO 0.86 -0.07 1.43 -0.54 -3.33 0.00 0.00 175.10 173.44 3bga s LYS 322 N -3.00 3.45 0.57 1.54 -0.14 -1.26 -4.93 119.74 115.96 3bga s LYS 322 Ca 0.69 0.76 -0.17 0.00 -1.36 0.00 0.00 55.97 55.89 3bga s LYS 322 Cb -0.28 -4.07 -0.05 0.00 -1.68 0.00 0.00 37.83 31.75 3bga s LYS 322 CO 0.32 -1.74 1.05 0.00 -0.76 0.00 0.00 175.35 174.23 3bga s ALA 323 N 5.77 2.77 -0.12 5.17 0.00 -1.26 -4.53 121.76 129.57 3bga s ALA 323 Ca 0.58 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 3bga s ALA 323 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3bga s ALA 323 CO 0.30 -0.70 -0.04 -0.46 0.00 0.00 0.00 175.76 174.86 3bga s TRP 324 N -2.36 3.03 0.27 0.00 -0.00 0.37 -3.85 118.94 116.41 3bga s TRP 324 Ca 0.64 -0.12 -0.21 0.00 -0.00 0.00 0.00 56.10 56.41 3bga s TRP 324 Cb -0.16 -1.86 0.03 0.00 -0.00 0.00 0.00 33.47 31.48 3bga s TRP 324 CO 0.33 0.15 0.77 0.54 -0.00 0.00 0.00 176.95 178.75 3bga s ASN 325 N -0.17 -0.21 0.44 5.86 2.20 -0.43 -4.56 114.94 118.08 3bga s ASN 325 Ca 0.03 -0.64 0.12 0.00 -0.94 0.00 0.00 52.86 51.43 3bga s ASN 325 Cb -0.13 0.70 1.02 0.00 -2.00 0.00 0.00 41.25 40.84 3bga s ASN 325 CO 0.02 -1.31 2.05 0.00 -2.94 0.00 0.00 177.10 174.92 3bga h ALA 326 N 2.00 1.89 0.13 3.54 0.00 -1.94 -2.27 119.26 122.61 3bga h ALA 326 Ca -0.21 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 3bga h ALA 326 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3bga h ALA 326 CO 0.26 0.05 -1.39 0.93 0.00 0.00 0.00 179.25 179.10 3bga h GLU 327 N 0.38 0.27 -2.97 0.00 5.08 -1.92 -3.41 114.58 112.02 3bga h GLU 327 Ca 0.16 -0.46 -0.60 0.00 -1.00 0.00 0.00 59.36 57.46 3bga h GLU 327 Cb 0.18 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 29.20 3bga h GLU 327 CO -0.04 1.17 -0.75 -1.01 -1.00 0.00 0.00 179.01 177.38 3bga s HIS 328 N -2.64 1.78 -0.05 4.33 3.76 -0.96 -5.02 115.29 116.49 3bga s HIS 328 Ca -0.06 -2.26 -0.06 0.00 -0.15 0.00 0.00 55.06 52.53 3bga s HIS 328 Cb 0.07 -1.73 -0.24 0.00 1.11 0.00 0.00 32.58 31.78 3bga s HIS 328 CO 0.87 -0.80 3.56 -0.35 -0.85 0.00 0.00 174.74 177.17 3bga n PRO 329 N 3.71 2.04 -1.68 8.40 -0.04 -0.90 -1.32 135.00 145.22 3bga n PRO 329 Ca 0.08 -1.11 -0.47 0.00 -0.04 0.00 0.00 63.50 61.96 3bga n PRO 329 Cb 0.35 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 3bga n PRO 329 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3bga n ASN 330 N 2.38 3.34 -4.19 3.54 5.03 -1.25 -4.84 115.26 119.26 3bga n ASN 330 Ca 0.44 1.02 -0.26 0.00 0.87 0.00 0.00 54.58 56.65 3bga n ASN 330 Cb 0.89 -1.41 -0.16 0.00 -1.02 0.00 0.00 39.78 38.08 3bga n ASN 330 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3bga s LEU 331 N 2.53 2.02 0.23 3.41 1.43 -1.26 -4.29 118.68 122.76 3bga s LEU 331 Ca 0.86 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 3bga s LEU 331 Cb -0.67 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3bga s LEU 331 CO 0.44 0.23 0.24 -0.31 0.23 0.00 0.00 176.35 177.17 3bga s TYR 332 N -0.39 3.22 -0.17 0.29 2.02 0.17 -3.97 117.35 118.52 3bga s TYR 332 Ca 0.06 -0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3bga s TYR 332 Cb -0.08 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3bga s TYR 332 CO -0.00 0.50 -0.10 0.99 -1.57 0.00 0.00 175.55 175.37 3bga s THR 333 N -2.04 3.11 -0.25 -0.71 2.01 0.14 0.14 115.64 118.05 3bga s THR 333 Ca 0.33 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 3bga s THR 333 Cb -0.09 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3bga s THR 333 CO 0.26 0.49 0.40 -0.22 -0.69 0.00 0.00 174.62 174.85 3bga s LEU 334 N 0.85 4.08 -0.23 4.42 2.96 -0.19 -0.42 118.68 130.16 3bga s LEU 334 Ca -0.03 0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3bga s LEU 334 Cb -0.15 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.08 3bga s LEU 334 CO 0.00 -0.16 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.09 3bga s VAL 335 N 1.84 2.68 -0.08 1.68 1.01 -0.42 -2.44 120.40 124.66 3bga s VAL 335 Ca 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3bga s VAL 335 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3bga s VAL 335 CO 0.09 0.31 0.08 -0.76 0.00 0.00 0.00 175.10 174.82 3bga s LEU 336 N 1.32 4.02 -0.04 3.92 1.43 0.14 -1.45 118.68 128.02 3bga s LEU 336 Ca 0.02 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3bga s LEU 336 Cb -0.16 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.05 3bga s LEU 336 CO -0.07 0.37 -0.01 -1.61 0.23 0.00 0.00 176.35 175.26 3bga s GLU 337 N -1.13 0.49 -0.18 1.70 2.02 0.13 -1.91 118.70 119.82 3bga s GLU 337 Ca 0.16 0.02 -0.09 0.00 0.02 0.00 0.00 54.97 55.08 3bga s GLU 337 Cb -0.12 -0.63 -0.05 0.00 0.10 0.00 0.00 34.13 33.44 3bga s GLU 337 CO 0.06 -0.13 0.13 -1.17 0.02 0.00 0.00 175.26 174.16 3bga s LEU 338 N 1.06 4.23 0.16 1.80 2.96 -0.36 -0.93 118.68 127.60 3bga s LEU 338 Ca -0.09 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 3bga s LEU 338 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3bga s LEU 338 CO -0.01 0.25 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.58 3bga s LYS 339 N -0.03 1.19 1.30 1.98 1.02 0.20 -0.78 119.74 124.61 3bga s LYS 339 Ca 0.10 -1.43 -0.22 0.00 0.02 0.00 0.00 55.97 54.44 3bga s LYS 339 Cb -0.11 -1.03 0.33 0.00 -0.52 0.00 0.00 37.83 36.50 3bga s LYS 339 CO -0.00 0.18 1.07 -0.51 -0.92 0.00 0.00 175.35 175.17 3bga s ASP 340 N -2.90 0.07 0.26 2.83 1.01 0.13 -2.36 116.67 115.71 3bga s ASP 340 Ca 0.16 0.55 0.25 0.00 0.71 0.00 0.00 52.55 54.22 3bga s ASP 340 Cb -0.03 -0.71 0.86 0.00 1.01 0.00 0.00 42.92 44.05 3bga s ASP 340 CO 0.05 -4.63 1.76 0.00 0.21 0.00 0.00 175.17 172.55 3bga h ALA 341 N -2.93 1.00 -0.03 5.23 0.00 -1.87 -1.21 119.26 119.45 3bga h ALA 341 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3bga h ALA 341 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3bga h ALA 341 CO 0.27 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3bga n GLN 342 N -2.36 1.96 -0.90 0.00 3.00 -1.26 -4.93 117.38 112.89 3bga n GLN 342 Ca 0.04 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 3bga n GLN 342 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.14 3bga n GLN 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bga n GLY 343 N 1.25 0.48 3.73 1.08 0.00 -0.46 -5.04 105.19 106.24 3bga n GLY 343 Ca 0.17 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 3bga n GLY 343 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 344 N -1.19 4.52 -0.14 1.61 2.20 -1.26 -4.63 119.74 120.85 3bga s LYS 344 Ca 0.00 1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 56.44 3bga s LYS 344 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3bga s LYS 344 CO 0.00 0.18 1.66 0.08 -0.36 0.00 0.00 175.35 176.91 3bga s VAL 345 N 0.28 3.62 -0.09 4.02 1.01 -1.26 0.21 120.40 128.19 3bga s VAL 345 Ca 0.41 0.72 0.20 0.00 0.00 0.00 0.00 61.98 63.32 3bga s VAL 345 Cb -0.20 -3.55 -0.31 0.00 0.00 0.00 0.00 36.38 32.31 3bga s VAL 345 CO 0.23 -0.16 0.47 0.35 0.00 0.00 0.00 175.10 176.00 3bga n THR 346 N 5.99 0.00 -3.67 3.92 -2.24 0.04 -4.94 114.28 113.37 3bga n THR 346 Ca 0.18 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 3bga n THR 346 Cb 0.44 0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 3bga n THR 346 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bga s GLU 347 N -3.37 0.66 -0.05 -0.78 2.12 -1.16 -4.70 118.70 111.42 3bga s GLU 347 Ca -0.06 0.88 0.02 0.00 0.36 0.00 0.00 54.97 56.17 3bga s GLU 347 Cb 0.13 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.79 3bga s GLU 347 CO 0.84 -0.10 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.19 3bga s LEU 348 N 0.66 1.62 0.36 2.70 0.20 -1.26 -1.23 118.68 121.73 3bga s LEU 348 Ca -0.03 -0.24 -0.13 0.00 0.69 0.00 0.00 54.13 54.42 3bga s LEU 348 Cb -0.05 -0.70 0.04 0.00 -0.43 0.00 0.00 46.19 45.05 3bga s LEU 348 CO -0.04 0.03 0.70 0.28 -0.29 0.00 0.00 176.35 177.02 3bga s THR 349 N 0.59 0.00 -3.84 3.68 -1.32 -0.81 -0.56 115.64 113.39 3bga s THR 349 Ca -0.11 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 3bga s THR 349 Cb -0.14 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 3bga s THR 349 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3bga n GLY 350 N -0.52 -1.31 3.79 6.08 0.00 -1.26 0.24 105.19 112.21 3bga n GLY 350 Ca -0.05 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 3bga n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s GLU 352 N -2.89 4.12 -0.06 0.00 0.41 -1.26 -1.02 118.70 118.00 3bga s GLU 352 Ca 0.15 0.79 0.03 0.00 -0.41 0.00 0.00 54.97 55.53 3bga s GLU 352 Cb -0.05 -2.58 0.01 0.00 -1.78 0.00 0.00 34.13 29.73 3bga s GLU 352 CO 0.11 0.23 -0.15 0.08 -0.49 0.00 0.00 175.26 175.03 3bga s VAL 353 N -1.83 1.33 -0.13 2.63 1.01 0.12 -4.78 120.40 118.75 3bga s VAL 353 Ca 0.51 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3bga s VAL 353 Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3bga s VAL 353 CO 0.18 0.39 -0.17 -0.83 0.00 0.00 0.00 175.10 174.68 3bga s GLY 354 N 0.43 1.17 -0.35 4.51 0.00 -1.26 -0.65 107.32 111.16 3bga s GLY 354 Ca -0.12 -0.90 -0.24 0.00 0.00 0.00 0.00 44.72 43.45 3bga s GLY 354 CO 0.04 0.24 0.85 -1.36 0.00 0.00 0.00 173.10 172.87 3bga s PHE 355 N 1.08 3.13 -0.04 1.90 0.08 -1.26 -4.74 117.98 118.13 3bga s PHE 355 Ca -0.03 0.73 -0.30 0.00 0.12 0.00 0.00 56.93 57.45 3bga s PHE 355 Cb -0.14 -3.45 0.11 0.00 -0.57 0.00 0.00 43.02 38.96 3bga s PHE 355 CO -0.05 -0.72 1.06 -0.98 -0.10 0.00 0.00 175.22 174.43 3bga s ARG 356 N 3.22 0.66 0.08 0.44 3.03 -1.02 -0.47 118.95 124.88 3bga s ARG 356 Ca 0.35 -0.29 0.09 0.00 2.03 0.00 0.00 55.73 57.91 3bga s ARG 356 Cb -0.13 0.27 -0.03 0.00 -1.03 0.00 0.00 34.95 34.03 3bga s ARG 356 CO 0.16 -0.29 -0.24 0.95 -1.13 0.00 0.00 175.30 174.75 3bga s THR 357 N -2.82 1.97 -0.11 4.99 -4.23 -1.26 -4.37 115.64 109.80 3bga s THR 357 Ca 0.09 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3bga s THR 357 Cb -0.00 -1.72 0.02 0.00 1.34 0.00 0.00 72.50 72.14 3bga s THR 357 CO -0.05 0.18 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.58 3bga s SER 358 N -1.54 2.18 0.14 3.99 0.15 -1.26 -1.09 113.70 116.27 3bga s SER 358 Ca 0.10 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 3bga s SER 358 Cb -0.10 -0.87 0.07 0.00 -1.71 0.00 0.00 66.02 63.41 3bga s SER 358 CO 0.03 -0.10 0.79 -1.83 1.20 0.00 0.00 173.24 173.33 3bga s GLU 359 N 1.57 1.25 -0.42 5.44 -1.05 -0.78 -4.08 118.70 120.63 3bga s GLU 359 Ca 0.03 -0.58 -0.09 0.00 -0.15 0.00 0.00 54.97 54.18 3bga s GLU 359 Cb -0.13 0.50 0.08 0.00 -0.44 0.00 0.00 34.13 34.14 3bga s GLU 359 CO -0.07 -0.56 0.26 0.42 0.95 0.00 0.00 175.26 176.26 3bga s ILE 360 N -3.51 4.20 -0.18 1.83 1.01 -1.26 0.20 121.20 123.49 3bga s ILE 360 Ca 0.07 -1.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 3bga s ILE 360 Cb -0.02 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3bga s ILE 360 CO -0.04 -0.51 -0.06 -0.75 0.00 0.00 0.00 174.94 173.57 3bga s LYS 361 N 1.42 3.44 -1.53 2.79 2.20 0.72 -4.60 119.74 124.17 3bga s LYS 361 Ca 0.03 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 54.90 3bga s LYS 361 Cb -0.23 -2.89 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 3bga s LYS 361 CO 0.02 -0.00 0.91 -0.25 -0.36 0.00 0.00 175.35 175.66 3bga n ASP 362 N 4.22 -4.04 0.00 1.43 8.00 -1.26 -1.17 116.55 123.72 3bga n ASP 362 Ca -0.18 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3bga n ASP 362 Cb 0.52 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 3bga n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 363 N -1.65 0.96 3.33 0.44 0.00 -1.26 -5.03 105.19 101.99 3bga n GLY 363 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3bga n GLY 363 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 364 N -0.05 1.90 -0.09 1.61 0.52 -0.32 -2.05 118.95 120.48 3bga s ARG 364 Ca 0.00 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 3bga s ARG 364 Cb 0.00 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 3bga s ARG 364 CO 0.00 0.53 1.22 0.12 0.02 0.00 0.00 175.30 177.19 3bga s PHE 365 N -0.74 3.08 -0.00 -0.53 5.36 -1.26 -0.20 117.98 123.69 3bga s PHE 365 Ca 0.11 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.27 3bga s PHE 365 Cb -0.10 -3.45 -0.01 0.00 -0.34 0.00 0.00 43.02 39.12 3bga s PHE 365 CO 0.01 -1.44 -0.13 0.00 -1.46 0.00 0.00 175.22 172.19 3bga s ILE 367 N -0.37 3.83 -1.48 0.00 -1.09 -0.27 -1.87 121.20 119.95 3bga s ILE 367 Ca 0.05 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 58.04 3bga s ILE 367 Cb -0.05 -2.75 0.06 0.00 -1.58 0.00 0.00 42.46 38.14 3bga s ILE 367 CO -0.00 0.41 0.74 0.59 -1.23 0.00 0.00 174.94 175.44 3bga n ASN 368 N 4.51 -2.54 0.00 3.58 5.03 -0.25 -0.65 115.26 124.94 3bga n ASN 368 Ca -0.17 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.38 3bga n ASN 368 Cb 0.51 -3.49 0.00 0.00 -1.02 0.00 0.00 39.78 35.79 3bga n ASN 368 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bga n GLY 369 N -1.69 0.37 3.31 7.41 0.00 -1.26 -4.92 105.19 108.42 3bga n GLY 369 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3bga n GLY 369 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bga s VAL 370 N -1.98 3.36 0.21 1.61 1.01 0.18 -5.02 120.40 119.77 3bga s VAL 370 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3bga s VAL 370 Cb 0.00 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 3bga s VAL 370 CO 0.00 0.43 1.51 -2.16 0.00 0.00 0.00 175.10 174.88 3bga s PRO 371 N 1.44 4.23 0.07 2.72 0.04 -1.26 -1.12 135.00 141.12 3bga s PRO 371 Ca 0.05 2.34 0.08 0.00 0.04 0.00 0.00 61.00 63.52 3bga s PRO 371 Cb -0.14 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 3bga s PRO 371 CO -0.03 -0.52 -0.23 0.14 0.04 0.00 0.00 177.00 176.40 3bga s VAL 372 N 0.55 1.85 -0.06 -0.36 -7.23 -1.10 -4.92 120.40 109.14 3bga s VAL 372 Ca 0.65 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 59.16 3bga s VAL 372 Cb -0.43 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 3bga s VAL 372 CO 0.38 0.16 0.85 -0.76 -0.31 0.00 0.00 175.10 175.42 3bga s LEU 373 N -1.47 4.31 -0.50 1.32 1.43 -1.26 -4.91 118.68 117.60 3bga s LEU 373 Ca 0.09 1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 54.33 3bga s LEU 373 Cb -0.09 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.84 3bga s LEU 373 CO 0.03 -0.24 0.92 -0.69 0.23 0.00 0.00 176.35 176.60 3bga s VAL 374 N 1.20 4.45 -0.87 -1.59 1.01 0.17 -4.95 120.40 119.81 3bga s VAL 374 Ca 0.44 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 3bga s VAL 374 Cb -0.19 -4.47 0.22 0.00 0.00 0.00 0.00 36.38 31.93 3bga s VAL 374 CO 0.21 -0.96 0.76 -0.54 0.00 0.00 0.00 175.10 174.57 3bga s LYS 375 N 3.81 3.28 0.01 2.72 1.02 -1.26 -1.79 119.74 127.53 3bga s LYS 375 Ca 0.33 -3.11 0.00 0.00 0.02 0.00 0.00 55.97 53.21 3bga s LYS 375 Cb -0.11 -4.01 -0.00 0.00 -0.52 0.00 0.00 37.83 33.19 3bga s LYS 375 CO 0.23 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 3bga n GLY 376 N 2.64 4.17 3.36 -3.33 0.00 -0.73 -0.24 105.19 111.07 3bga n GLY 376 Ca 0.19 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 3bga n GLY 376 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bga s THR 377 N -1.12 0.03 0.52 2.61 -1.32 -1.26 -1.61 115.64 113.48 3bga s THR 377 Ca 0.00 -0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.15 3bga s THR 377 Cb 0.00 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 3bga s THR 377 CO 0.00 -0.14 0.84 0.20 -2.21 0.00 0.00 174.62 173.31 3bga s ASN 378 N -1.26 6.24 -0.20 8.08 0.01 0.02 -1.51 114.94 126.31 3bga s ASN 378 Ca -0.12 1.04 -0.10 0.00 -0.71 0.00 0.00 52.86 52.96 3bga s ASN 378 Cb -0.03 -2.29 0.07 0.00 0.41 0.00 0.00 41.25 39.42 3bga s ASN 378 CO 0.07 -0.66 0.46 -0.60 -1.51 0.00 0.00 177.10 174.86 3bga s ARG 379 N -4.85 0.43 0.25 -0.60 3.52 -0.68 -0.72 118.95 116.30 3bga s ARG 379 Ca 0.49 0.93 0.05 0.00 -0.13 0.00 0.00 55.73 57.08 3bga s ARG 379 Cb -0.10 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 3bga s ARG 379 CO 0.47 -0.18 0.36 -1.01 -0.81 0.00 0.00 175.30 174.14 3bga s HIS 380 N 1.75 3.38 -0.27 5.12 3.76 -1.26 -1.66 115.29 126.11 3bga s HIS 380 Ca -0.08 -0.05 -0.20 0.00 -0.15 0.00 0.00 55.06 54.58 3bga s HIS 380 Cb -0.09 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 3bga s HIS 380 CO -0.14 0.38 0.63 -1.21 -0.85 0.00 0.00 174.74 173.55 3bga s GLU 381 N -4.00 4.04 -0.18 1.40 2.02 -1.26 -4.90 118.70 115.83 3bga s GLU 381 Ca 0.35 0.46 -0.15 0.00 0.02 0.00 0.00 54.97 55.66 3bga s GLU 381 Cb -0.09 -3.67 0.05 0.00 0.10 0.00 0.00 34.13 30.52 3bga s GLU 381 CO 0.29 -0.46 0.47 -1.58 0.02 0.00 0.00 175.26 174.00 3bga s HIS 382 N 2.53 -0.57 0.36 1.61 2.46 -1.26 -4.54 115.29 115.89 3bga s HIS 382 Ca 0.26 1.31 -0.13 0.00 0.47 0.00 0.00 55.06 56.97 3bga s HIS 382 Cb -0.15 0.22 0.04 0.00 -0.13 0.00 0.00 32.58 32.56 3bga s HIS 382 CO 0.10 -0.29 0.71 -1.54 -2.47 0.00 0.00 174.74 171.25 3bga s SER 383 N 0.60 0.18 0.34 9.88 1.04 -0.63 -4.94 113.70 120.17 3bga s SER 383 Ca -0.03 -1.17 0.26 0.00 0.48 0.00 0.00 55.95 55.48 3bga s SER 383 Cb -0.05 0.79 1.17 0.00 0.10 0.00 0.00 66.02 68.04 3bga s SER 383 CO -0.04 -1.56 1.77 1.56 0.98 0.00 0.00 173.24 175.95 3bga h GLN 384 N 2.03 0.00 -0.00 4.02 1.08 -1.89 -1.32 115.11 119.03 3bga h GLN 384 Ca -0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3bga h GLN 384 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 3bga h GLN 384 CO 0.39 0.00 -0.19 1.28 -0.95 0.00 0.00 178.83 179.36 3bga n LEU 385 N -2.40 0.55 0.00 1.46 4.77 -1.26 -4.91 117.00 115.21 3bga n LEU 385 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3bga n LEU 385 Cb 0.17 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3bga n LEU 385 CO 0.18 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3bga n GLY 386 N 1.35 0.41 0.16 -0.72 0.00 -0.50 -2.63 105.19 103.25 3bga n GLY 386 Ca 0.12 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3bga n GLY 386 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bga h ARG 387 N 0.00 0.00 -6.45 1.61 9.65 -1.84 -1.68 114.38 115.67 3bga h ARG 387 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 3bga h ARG 387 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3bga h ARG 387 CO 0.00 0.00 0.68 0.99 2.80 0.00 0.00 179.97 184.44 3bga s THR 388 N -3.31 3.81 -0.09 0.20 2.01 -1.26 -4.51 115.64 112.50 3bga s THR 388 Ca 0.06 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.34 3bga s THR 388 Cb 0.10 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3bga s THR 388 CO 0.51 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 3bga s VAL 389 N 1.50 1.30 0.72 3.82 1.01 -1.26 -4.19 120.40 123.29 3bga s VAL 389 Ca 0.61 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3bga s VAL 389 Cb -0.31 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3bga s VAL 389 CO 0.28 0.40 1.07 -0.94 0.00 0.00 0.00 175.10 175.91 3bga s SER 390 N 0.94 5.16 0.33 3.32 1.04 -1.26 -4.97 113.70 118.27 3bga s SER 390 Ca -0.09 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.85 3bga s SER 390 Cb -0.15 -2.33 0.57 0.00 0.10 0.00 0.00 66.02 64.21 3bga s SER 390 CO -0.00 -1.57 1.97 0.11 0.98 0.00 0.00 173.24 174.73 3bga h LYS 391 N -0.80 0.84 -0.59 4.02 1.57 -2.03 -2.40 116.57 117.18 3bga h LYS 391 Ca -0.45 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 3bga h LYS 391 Cb 1.23 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3bga h LYS 391 CO 0.58 0.60 0.10 0.93 -0.57 0.00 0.00 179.45 181.09 3bga h GLU 392 N 0.85 0.97 -1.54 3.15 3.07 -2.05 -0.84 114.58 118.19 3bga h GLU 392 Ca 0.22 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3bga h GLU 392 Cb -0.01 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3bga h GLU 392 CO -0.04 0.92 0.00 1.28 -1.40 0.00 0.00 179.01 179.77 3bga n LEU 393 N -4.32 1.84 0.00 1.33 4.77 -0.90 -1.62 117.00 118.10 3bga n LEU 393 Ca 0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3bga n LEU 393 Cb 0.27 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3bga n LEU 393 CO 0.42 0.32 0.00 -0.62 -1.33 0.00 0.00 177.39 176.17 3bga n GLU 395 N 0.88 0.00 -0.16 3.23 1.02 -0.32 -0.99 120.64 124.29 3bga n GLU 395 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3bga n GLU 395 Cb 0.27 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.69 3bga n GLU 395 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3bga h GLN 396 N 0.00 0.93 -0.08 3.49 4.15 -1.56 -1.17 115.11 120.87 3bga h GLN 396 Ca 0.00 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.08 3bga h GLN 396 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3bga h GLN 396 CO 0.00 1.02 -0.05 -0.44 -1.93 0.00 0.00 178.83 177.43 3bga h ASP 397 N 0.78 -0.17 0.16 -0.69 3.32 -1.33 -0.97 116.42 117.52 3bga h ASP 397 Ca 0.12 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3bga h ASP 397 Cb 0.68 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3bga h ASP 397 CO 0.05 -0.08 -0.39 -0.29 -1.72 0.00 0.00 179.24 176.82 3bga h ILE 398 N -0.06 1.30 -0.07 0.35 2.10 -1.81 -3.09 117.51 116.24 3bga h ILE 398 Ca 0.05 -1.48 -0.00 0.00 1.08 0.00 0.00 64.86 64.50 3bga h ILE 398 Cb 0.13 1.62 -0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3bga h ILE 398 CO -0.12 0.45 0.03 -0.09 -1.08 0.00 0.00 178.15 177.34 3bga h ARG 399 N 0.26 0.10 -1.68 2.19 2.43 -0.84 -0.97 114.38 115.86 3bga h ARG 399 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3bga h ARG 399 Cb 0.80 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3bga h ARG 399 CO 0.06 0.20 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 3bga n LEU 400 N -4.97 0.60 0.00 3.80 4.77 -0.40 -1.11 117.00 119.68 3bga n LEU 400 Ca -0.06 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3bga n LEU 400 Cb 0.10 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3bga n LEU 400 CO 0.34 0.10 0.00 0.29 -1.33 0.00 0.00 177.39 176.79 3bga n LYS 402 N 0.86 0.00 0.25 3.23 4.76 -0.37 -1.19 118.16 125.70 3bga n LYS 402 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3bga n LYS 402 Cb 0.10 0.00 0.65 0.00 -1.84 0.00 0.00 35.03 33.94 3bga n LYS 402 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3bga h GLN 403 N 0.00 0.00 -0.72 1.97 4.20 -1.37 -2.58 115.11 116.62 3bga h GLN 403 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3bga h GLN 403 Cb 0.00 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 3bga h GLN 403 CO 0.00 0.14 0.26 0.72 -0.67 0.00 0.00 178.83 179.28 3bga n HIS 404 N -3.96 2.38 -2.68 2.96 8.25 -0.34 -4.94 115.22 116.89 3bga n HIS 404 Ca -0.02 -1.23 -0.22 0.00 -0.26 0.00 0.00 57.72 55.99 3bga n HIS 404 Cb 0.23 -0.68 0.01 0.00 1.12 0.00 0.00 29.99 30.67 3bga n HIS 404 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3bga n ASN 405 N -0.25 -6.04 -4.80 0.41 3.02 -0.97 -4.06 115.26 102.57 3bga n ASN 405 Ca 0.41 -0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 3bga n ASN 405 Cb 1.37 -4.96 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 3bga n ASN 405 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bga s ILE 406 N -3.11 5.01 -0.24 2.41 1.01 -1.26 -4.72 121.20 120.30 3bga s ILE 406 Ca 0.14 0.95 0.11 0.00 0.00 0.00 0.00 60.65 61.85 3bga s ILE 406 Cb -0.06 -3.78 0.45 0.00 0.01 0.00 0.00 42.46 39.08 3bga s ILE 406 CO 0.17 0.50 1.19 -0.46 0.00 0.00 0.00 174.94 176.35 3bga n ASN 407 N 2.33 3.26 -3.64 3.58 6.94 0.67 -4.38 115.26 124.03 3bga n ASN 407 Ca -0.11 -3.53 -0.05 0.00 -0.02 0.00 0.00 54.58 50.86 3bga n ASN 407 Cb 0.52 -0.42 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 3bga n ASN 407 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3bga s VAL 409 N -3.77 0.00 -0.21 3.53 0.11 -0.63 -0.98 120.40 118.46 3bga s VAL 409 Ca 0.43 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 3bga s VAL 409 Cb 0.39 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3bga s VAL 409 CO -0.02 0.00 0.02 -0.60 -3.33 0.00 0.00 175.10 171.17 3bga s ARG 410 N 0.56 3.66 -1.21 1.54 3.52 -0.57 -1.10 118.95 125.35 3bga s ARG 410 Ca -0.00 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 54.89 3bga s ARG 410 Cb -0.04 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3bga s ARG 410 CO -0.11 0.00 1.88 0.09 -0.81 0.00 0.00 175.30 176.36 3bga n ASN 411 N 4.29 3.61 -2.21 -2.12 3.02 -0.52 -1.69 115.26 119.64 3bga n ASN 411 Ca -0.17 -2.76 -0.09 0.00 -0.03 0.00 0.00 54.58 51.53 3bga n ASN 411 Cb 0.52 -1.72 -0.09 0.00 -0.61 0.00 0.00 39.78 37.87 3bga n ASN 411 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bga n SER 412 N 12.35 -0.79 -2.35 6.41 7.64 -0.66 -2.13 113.62 134.10 3bga n SER 412 Ca 0.46 -0.35 -0.20 0.00 1.01 0.00 0.00 58.87 59.79 3bga n SER 412 Cb 0.46 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 3bga n SER 412 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bga n HIS 413 N 2.67 -1.01 0.00 1.43 8.25 -1.26 -4.76 115.22 120.54 3bga n HIS 413 Ca 0.28 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3bga n HIS 413 Cb 0.10 -3.92 0.00 0.00 1.12 0.00 0.00 29.99 27.29 3bga n HIS 413 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3bga n TYR 414 N -4.04 0.00 -1.59 4.41 0.18 -0.90 -4.15 117.16 111.07 3bga n TYR 414 Ca -0.24 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.20 3bga n TYR 414 Cb 0.68 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.72 3bga n TYR 414 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 3bga s PRO 415 N -2.00 2.38 0.52 -3.48 0.02 -0.75 -4.56 135.00 127.13 3bga s PRO 415 Ca 0.00 1.75 0.08 0.00 0.02 0.00 0.00 61.00 62.85 3bga s PRO 415 Cb 0.00 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.70 3bga s PRO 415 CO 0.00 -1.65 0.58 0.95 -0.33 0.00 0.00 177.00 176.55 3bga s THR 416 N -1.92 2.22 0.40 0.99 -4.23 -1.26 -4.84 115.64 106.99 3bga s THR 416 Ca 0.75 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 3bga s THR 416 Cb -0.29 -2.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 3bga s THR 416 CO 0.42 0.00 1.46 1.57 -0.54 0.00 0.00 174.62 177.53 3bga n HIS 417 N -1.93 2.85 -0.17 3.99 -0.00 -1.26 -4.86 115.22 113.85 3bga n HIS 417 Ca 0.08 0.45 0.27 0.00 0.46 0.00 0.00 57.72 58.97 3bga n HIS 417 Cb 0.62 -2.50 0.70 0.00 -0.12 0.00 0.00 29.99 28.69 3bga n HIS 417 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3bga h PRO 418 N 2.70 0.04 -0.59 1.57 0.13 -1.97 -1.52 132.00 132.37 3bga h PRO 418 Ca -0.50 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3bga h PRO 418 Cb 1.25 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3bga h PRO 418 CO 0.63 0.03 0.39 -0.92 -0.23 0.00 0.00 178.00 177.89 3bga h TYR 419 N 0.04 0.63 -0.85 1.56 3.20 -2.00 -2.29 116.97 117.27 3bga h TYR 419 Ca 0.41 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 3bga h TYR 419 Cb 1.58 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 3bga h TYR 419 CO -0.00 0.36 0.50 2.35 -1.64 0.00 0.00 178.16 179.73 3bga h TRP 420 N 0.65 1.12 -0.52 -3.82 -0.00 -1.62 -1.44 115.95 110.32 3bga h TRP 420 Ca 0.24 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.89 59.02 3bga h TRP 420 Cb 0.14 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 28.92 3bga h TRP 420 CO -0.00 0.76 -0.08 1.88 -0.00 0.00 0.00 178.44 180.99 3bga h TYR 421 N 1.17 1.06 -0.67 2.65 0.05 -1.55 -2.19 116.97 117.49 3bga h TYR 421 Ca 0.30 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 3bga h TYR 421 Cb -0.03 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 3bga h TYR 421 CO -0.00 0.99 0.35 1.96 -1.05 0.00 0.00 178.16 180.41 3bga h GLN 422 N 0.86 0.94 -0.43 4.88 4.20 -1.16 -1.41 115.11 122.99 3bga h GLN 422 Ca 0.14 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3bga h GLN 422 Cb 0.62 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3bga h GLN 422 CO 0.04 0.71 0.12 -0.07 -0.67 0.00 0.00 178.83 178.96 3bga h LEU 423 N 0.91 0.64 -1.17 1.46 3.38 -1.08 -2.06 115.31 117.39 3bga h LEU 423 Ca 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3bga h LEU 423 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3bga h LEU 423 CO -0.04 0.69 0.18 0.00 0.09 0.00 0.00 178.44 179.36 3bga h ASP 425 N 0.75 0.17 -0.41 0.00 3.32 -1.07 -1.06 116.42 118.12 3bga h ASP 425 Ca 0.18 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3bga h ASP 425 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3bga h ASP 425 CO -0.01 0.27 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.60 3bga h ARG 426 N 0.05 0.78 -0.02 3.56 2.43 -0.89 -3.31 114.38 116.98 3bga h ARG 426 Ca 0.04 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3bga h ARG 426 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3bga h ARG 426 CO -0.00 0.91 -0.22 0.66 -1.51 0.00 0.00 179.97 179.80 3bga n TYR 427 N -4.34 0.00 -1.66 2.20 4.01 0.15 -4.81 117.16 112.71 3bga n TYR 427 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3bga n TYR 427 Cb 0.36 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3bga n TYR 427 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bga n GLY 428 N 1.38 -2.06 3.07 2.72 0.00 -0.44 -4.84 105.19 105.01 3bga n GLY 428 Ca 0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3bga n GLY 428 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bga s LEU 429 N -0.62 -0.32 0.00 0.99 2.96 -0.95 -4.61 118.68 116.12 3bga s LEU 429 Ca 0.01 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3bga s LEU 429 Cb -0.00 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.53 3bga s LEU 429 CO 0.10 -0.23 0.00 -1.22 -1.32 0.00 0.00 176.35 173.67 3bga n TYR 430 N 5.27 -2.04 -3.24 5.38 4.01 -0.15 -4.74 117.16 121.65 3bga n TYR 430 Ca -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 3bga n TYR 430 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.50 3bga n TYR 430 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3bga s ILE 432 N -0.75 -0.81 0.45 -0.72 1.01 -0.26 -1.61 121.20 118.52 3bga s ILE 432 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 3bga s ILE 432 Cb 0.00 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.61 3bga s ILE 432 CO 0.00 -0.16 0.99 -0.62 0.00 0.00 0.00 174.94 175.15 3bga s ASP 433 N 2.39 6.70 -0.00 3.58 2.15 -0.76 -1.44 116.67 129.28 3bga s ASP 433 Ca 0.12 1.80 0.01 0.00 0.43 0.00 0.00 52.55 54.91 3bga s ASP 433 Cb -0.10 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3bga s ASP 433 CO -0.21 -0.53 -0.04 -0.70 -0.17 0.00 0.00 175.17 173.52 3bga s GLU 434 N -3.15 0.32 0.36 4.34 2.12 -1.26 -0.37 118.70 121.05 3bga s GLU 434 Ca 0.64 -0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.56 3bga s GLU 434 Cb -0.13 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.86 3bga s GLU 434 CO 0.16 0.08 1.23 0.00 -0.54 0.00 0.00 175.26 176.20 3bga s ALA 435 N -0.08 3.33 -0.99 6.30 0.00 -0.51 -1.80 121.76 128.02 3bga s ALA 435 Ca 0.01 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 3bga s ALA 435 Cb -0.02 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3bga s ALA 435 CO -0.00 -0.57 1.99 -1.71 0.00 0.00 0.00 175.76 175.47 3bga n ASN 436 N 0.51 2.97 -3.61 0.00 5.15 -1.26 -4.09 115.26 114.93 3bga n ASN 436 Ca 0.02 -2.73 -0.27 0.00 -0.60 0.00 0.00 54.58 51.00 3bga n ASN 436 Cb 0.44 -1.32 -0.16 0.00 -0.53 0.00 0.00 39.78 38.21 3bga n ASN 436 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3bga s ILE 437 N 5.09 0.03 -0.20 -1.44 1.01 -1.26 -4.79 121.20 119.65 3bga s ILE 437 Ca 0.56 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 3bga s ILE 437 Cb 0.13 -0.76 0.10 0.00 0.01 0.00 0.00 42.46 41.93 3bga s ILE 437 CO 0.07 -0.39 0.31 -0.70 0.00 0.00 0.00 174.94 174.23 3bga s GLU 438 N 2.08 0.25 -0.43 2.79 2.12 0.80 -0.78 118.70 125.53 3bga s GLU 438 Ca 0.04 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.95 3bga s GLU 438 Cb -0.16 -0.51 0.43 0.00 0.26 0.00 0.00 34.13 34.15 3bga s GLU 438 CO -0.16 -0.52 1.27 -1.13 -0.54 0.00 0.00 175.26 174.18 3bga n SER 439 N 5.35 5.20 -0.33 -1.70 3.41 -1.25 -0.01 113.62 124.29 3bga n SER 439 Ca -0.05 -3.74 0.11 0.00 -0.26 0.00 0.00 58.87 54.92 3bga n SER 439 Cb 0.50 -0.49 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 3bga n SER 439 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3bga h HIS 440 N 2.43 0.93 0.00 7.33 6.17 -1.75 -3.29 115.15 126.97 3bga h HIS 440 Ca 0.37 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.48 3bga h HIS 440 Cb 1.07 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.73 3bga h HIS 440 CO 0.90 0.20 0.00 0.41 0.71 0.00 0.00 177.93 180.15 3bga n GLY 441 N -1.33 0.34 3.38 5.26 0.00 -1.19 -4.80 105.19 106.86 3bga n GLY 441 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3bga n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 443 N 1.68 1.05 0.61 -0.02 0.00 -1.24 -4.91 105.19 102.35 3bga n GLY 443 Ca 0.00 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.86 3bga n GLY 443 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bga n TYR 444 N -0.49 0.25 -0.15 1.61 4.01 -1.26 -4.23 117.16 116.89 3bga n TYR 444 Ca -0.07 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3bga n TYR 444 Cb 0.53 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3bga n TYR 444 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bga n GLY 445 N 0.68 -1.32 0.26 2.72 0.00 -1.26 -4.74 105.19 101.52 3bga n GLY 445 Ca 0.10 -1.55 0.17 0.00 0.00 0.00 0.00 46.02 44.74 3bga n GLY 445 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bga h PRO 446 N 0.00 0.00 -0.03 1.61 0.13 -2.01 -1.24 132.00 130.46 3bga h PRO 446 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3bga h PRO 446 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3bga h PRO 446 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 3bga n ALA 447 N -1.95 2.59 -1.74 -0.56 0.00 -1.26 -4.88 120.51 112.72 3bga n ALA 447 Ca -0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3bga n ALA 447 Cb 0.08 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3bga n ALA 447 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bga n SER 448 N -0.03 3.83 0.00 0.00 2.88 -0.47 -4.85 113.62 114.97 3bga n SER 448 Ca 0.20 1.13 0.06 0.00 -1.33 0.00 0.00 58.87 58.92 3bga n SER 448 Cb 0.30 -1.58 0.29 0.00 -0.75 0.00 0.00 64.21 62.47 3bga n SER 448 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bga n LEU 449 N 2.53 0.00 0.19 2.46 4.77 -1.26 -1.05 117.00 124.63 3bga n LEU 449 Ca 0.10 0.31 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 3bga n LEU 449 Cb 0.36 -0.31 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 3bga n LEU 449 CO 0.64 -0.19 0.66 0.00 -1.33 0.00 0.00 177.39 177.17 3bga h ALA 450 N 2.53 0.86 -0.01 -1.18 0.00 -1.89 -3.16 119.26 116.41 3bga h ALA 450 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3bga h ALA 450 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bga h ALA 450 CO 0.00 0.37 -0.71 1.63 0.00 0.00 0.00 179.25 180.54 3bga n LYS 451 N -3.24 0.75 -3.14 0.00 5.02 -0.22 -1.67 118.16 115.65 3bga n LYS 451 Ca 0.02 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.35 3bga n LYS 451 Cb 0.58 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 3bga n LYS 451 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bga s ASP 452 N -2.67 6.24 0.57 4.39 -1.08 -1.17 -4.87 116.67 118.08 3bga s ASP 452 Ca 0.13 -0.76 0.26 0.00 -0.52 0.00 0.00 52.55 51.66 3bga s ASP 452 Cb 0.17 -2.30 1.59 0.00 -1.46 0.00 0.00 42.92 40.92 3bga s ASP 452 CO 0.70 -0.86 2.12 0.77 0.52 0.00 0.00 175.17 178.41 3bga h SER 453 N 8.97 0.00 0.35 -0.34 4.64 -1.89 -0.90 113.55 124.38 3bga h SER 453 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3bga h SER 453 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3bga h SER 453 CO 0.94 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.25 3bga n THR 454 N -4.00 1.22 0.22 2.95 -2.24 -1.26 -1.77 114.28 109.40 3bga n THR 454 Ca 0.01 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 3bga n THR 454 Cb 0.28 -1.28 0.21 0.00 -2.10 0.00 0.00 70.33 67.44 3bga n THR 454 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3bga n TRP 455 N -1.79 0.52 -0.31 4.78 7.02 -0.34 -4.47 117.44 122.84 3bga n TRP 455 Ca 0.02 -0.28 -0.05 0.00 -1.02 0.00 0.00 57.50 56.17 3bga n TRP 455 Cb 0.12 -0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.08 3bga n TRP 455 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3bga h LEU 456 N 4.22 1.08 -0.31 -0.99 7.12 -1.48 -1.46 115.31 123.50 3bga h LEU 456 Ca 0.00 -0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.95 3bga h LEU 456 Cb 0.95 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.76 3bga h LEU 456 CO 0.00 0.89 -0.01 0.74 -0.13 0.00 0.00 178.44 179.93 3bga h THR 457 N 1.19 0.77 -0.48 1.05 2.02 -1.80 -2.47 112.91 113.19 3bga h THR 457 Ca 0.30 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 3bga h THR 457 Cb 0.07 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3bga h THR 457 CO -0.04 0.02 0.15 0.00 0.37 0.00 0.00 175.52 176.02 3bga h ALA 458 N 1.27 0.63 0.00 6.16 0.00 -1.67 -0.30 119.26 125.35 3bga h ALA 458 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bga h ALA 458 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bga h ALA 458 CO -0.25 0.28 0.00 0.72 0.00 0.00 0.00 179.25 180.00 3bga n HIS 459 N -4.52 0.00 0.00 0.00 -0.00 -0.58 -2.45 115.22 107.67 3bga n HIS 459 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 3bga n HIS 459 Cb 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 3bga n HIS 459 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3bga n ASP 461 N 0.41 0.00 -0.06 0.41 2.03 -0.12 -1.99 116.55 117.23 3bga n ASP 461 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 3bga n ASP 461 Cb 0.04 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.75 3bga n ASP 461 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3bga h ARG 462 N 0.00 0.66 -0.29 -0.67 3.08 -1.74 -1.53 114.38 113.89 3bga h ARG 462 Ca 0.00 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 3bga h ARG 462 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3bga h ARG 462 CO 0.00 0.55 -0.36 1.15 -1.07 0.00 0.00 179.97 180.24 3bga h THR 463 N 0.66 1.30 -0.39 2.04 2.02 -1.67 -3.21 112.91 113.66 3bga h THR 463 Ca 0.16 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 3bga h THR 463 Cb 0.13 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3bga h THR 463 CO -0.02 0.50 0.13 0.45 0.37 0.00 0.00 175.52 176.95 3bga h HIS 464 N 0.51 0.62 0.00 3.16 3.86 -1.77 -2.01 115.15 119.52 3bga h HIS 464 Ca 0.04 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3bga h HIS 464 Cb 0.94 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.23 3bga h HIS 464 CO 0.07 0.58 0.00 0.54 0.86 0.00 0.00 177.93 179.98 3bga n ARG 465 N -4.62 0.19 0.00 2.45 1.74 -0.60 -1.27 116.66 114.54 3bga n ARG 465 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3bga n ARG 465 Cb 0.17 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3bga n ARG 465 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3bga n TYR 467 N 0.75 0.00 -0.30 -1.55 9.36 -0.76 -2.99 117.16 121.67 3bga n TYR 467 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 3bga n TYR 467 Cb 0.08 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 38.98 3bga n TYR 467 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3bga h GLU 468 N 0.00 0.72 0.00 2.98 4.39 -1.46 0.36 114.58 121.57 3bga h GLU 468 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3bga h GLU 468 Cb 0.00 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3bga h GLU 468 CO 0.00 0.47 -0.13 0.07 -1.16 0.00 0.00 179.01 178.26 3bga h ARG 469 N 0.74 0.00 0.00 2.33 0.11 -1.48 -2.79 114.38 113.29 3bga h ARG 469 Ca 0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.50 3bga h ARG 469 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3bga h ARG 469 CO -0.29 0.13 0.00 0.43 0.10 0.00 0.00 179.97 180.35 3bga n SER 470 N -3.47 0.83 -0.12 0.08 7.64 -0.99 -4.16 113.62 113.43 3bga n SER 470 Ca -0.01 -1.36 0.27 0.00 1.01 0.00 0.00 58.87 58.78 3bga n SER 470 Cb 0.29 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.21 3bga n SER 470 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3bga h LYS 471 N 0.00 0.00 -0.02 1.43 2.10 -1.04 -2.17 116.57 116.87 3bga h LYS 471 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3bga h LYS 471 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 3bga h LYS 471 CO 0.00 0.00 -0.05 0.09 -2.00 0.00 0.00 179.45 177.49 3bga n ASN 472 N -3.97 1.55 -4.65 7.07 3.02 -1.26 -4.87 115.26 112.15 3bga n ASN 472 Ca 0.16 -1.44 -0.43 0.00 -0.03 0.00 0.00 54.58 52.85 3bga n ASN 472 Cb 0.95 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.13 3bga n ASN 472 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3bga s HIS 473 N -2.09 2.84 0.46 3.10 3.76 -0.82 -4.85 115.29 117.69 3bga s HIS 473 Ca 0.35 1.00 0.25 0.00 -0.15 0.00 0.00 55.06 56.51 3bga s HIS 473 Cb 0.21 -3.67 1.43 0.00 1.11 0.00 0.00 32.58 31.66 3bga s HIS 473 CO 0.37 -1.53 2.09 -1.00 -0.85 0.00 0.00 174.74 173.82 3bga h PRO 474 N 8.59 0.00 -0.21 8.40 0.13 -1.86 -2.66 132.00 144.39 3bga h PRO 474 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 3bga h PRO 474 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3bga h PRO 474 CO 1.00 0.11 -0.13 0.00 -0.23 0.00 0.00 178.00 178.75 3bga h ALA 475 N 1.89 1.41 -2.15 -0.56 0.00 -1.87 -3.41 119.26 114.57 3bga h ALA 475 Ca -0.00 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 3bga h ALA 475 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3bga h ALA 475 CO 0.01 0.41 1.01 0.42 0.00 0.00 0.00 179.25 181.10 3bga s ILE 476 N -4.73 3.95 -0.05 0.00 1.01 -1.01 -4.36 121.20 116.03 3bga s ILE 476 Ca -0.06 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.78 3bga s ILE 476 Cb 0.15 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 3bga s ILE 476 CO 0.75 -0.17 0.15 1.33 0.00 0.00 0.00 174.94 177.00 3bga n VAL 477 N 5.65 0.00 -3.91 2.92 0.24 -1.26 -4.96 118.33 117.00 3bga n VAL 477 Ca 0.16 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 3bga n VAL 477 Cb 0.44 0.45 -0.15 0.00 -1.47 0.00 0.00 33.84 33.11 3bga n VAL 477 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bga s ILE 478 N -2.31 0.09 -0.15 1.34 -1.09 -1.26 -3.85 121.20 113.97 3bga s ILE 478 Ca -0.02 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.32 3bga s ILE 478 Cb 0.04 -0.13 -0.05 0.00 -1.58 0.00 0.00 42.46 40.75 3bga s ILE 478 CO 0.25 0.06 0.16 0.26 -1.23 0.00 0.00 174.94 174.45 3bga s TRP 479 N 0.33 3.51 -0.13 3.97 0.23 -0.81 -1.84 118.94 124.20 3bga s TRP 479 Ca -0.03 0.48 0.01 0.00 -2.03 0.00 0.00 56.10 54.53 3bga s TRP 479 Cb -0.05 -2.09 -0.01 0.00 0.03 0.00 0.00 33.47 31.35 3bga s TRP 479 CO -0.01 0.50 -0.16 0.45 0.96 0.00 0.00 176.95 178.69 3bga s SER 480 N -0.30 3.73 0.19 2.95 0.15 0.50 -1.07 113.70 119.85 3bga s SER 480 Ca 0.13 -0.41 0.22 0.00 0.70 0.00 0.00 55.95 56.59 3bga s SER 480 Cb -0.12 -1.56 0.90 0.00 -1.71 0.00 0.00 66.02 63.53 3bga s SER 480 CO 0.02 0.14 1.68 0.00 1.20 0.00 0.00 173.24 176.28 3bga n GLN 481 N 3.67 0.16 -2.13 5.44 6.02 -0.75 -1.43 117.38 128.36 3bga n GLN 481 Ca -0.19 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3bga n GLN 481 Cb 0.52 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3bga n GLN 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 482 N 0.21 0.15 3.04 1.08 0.00 -1.26 -4.36 105.19 104.04 3bga n GLY 482 Ca 0.03 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3bga n GLY 482 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 483 N -4.00 -0.19 -0.07 1.61 2.47 0.04 -4.70 114.94 110.09 3bga s ASN 483 Ca 0.00 0.39 -0.01 0.00 0.42 0.00 0.00 52.86 53.66 3bga s ASN 483 Cb 0.00 0.35 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 3bga s ASN 483 CO 0.00 -0.10 0.05 -1.84 -3.72 0.00 0.00 177.10 171.49 3bga n GLU 484 N 3.45 -0.46 -0.06 0.43 0.28 -1.26 -4.11 120.64 118.90 3bga n GLU 484 Ca -0.18 -0.16 0.06 0.00 -0.16 0.00 0.00 57.16 56.73 3bga n GLU 484 Cb 0.56 0.17 0.08 0.00 1.43 0.00 0.00 31.44 33.68 3bga n GLU 484 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3bga n ALA 485 N -0.89 2.12 -0.00 -1.84 0.00 -1.26 -2.90 120.51 115.73 3bga n ALA 485 Ca -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.50 3bga n ALA 485 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 3bga n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 486 N -1.00 -1.49 3.15 0.00 0.00 -1.26 -3.89 105.19 100.71 3bga n GLY 486 Ca 0.09 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 3bga n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 487 N -2.97 1.58 0.00 1.61 2.47 -1.26 -4.83 114.94 111.55 3bga s ASN 487 Ca 0.00 -0.58 0.00 0.00 0.42 0.00 0.00 52.86 52.70 3bga s ASN 487 Cb 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 3bga s ASN 487 CO 0.00 -0.07 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 3bga n GLY 488 N 1.43 -0.70 0.30 1.21 0.00 -1.26 -4.60 105.19 101.56 3bga n GLY 488 Ca -0.21 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.79 3bga n GLY 488 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bga h ILE 489 N 0.00 0.55 -0.91 -0.61 6.09 -1.89 -1.80 117.51 118.95 3bga h ILE 489 Ca 0.00 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.33 3bga h ILE 489 Cb 0.00 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 37.33 3bga h ILE 489 CO 0.00 0.08 0.51 0.78 -3.07 0.00 0.00 178.15 176.45 3bga h ASN 490 N 0.43 1.12 1.96 2.19 -0.26 -1.66 -0.24 115.58 119.12 3bga h ASN 490 Ca 0.50 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 56.15 3bga h ASN 490 Cb 0.87 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3bga h ASN 490 CO -0.48 0.89 -0.04 -0.26 -1.06 0.00 0.00 177.43 176.49 3bga h PHE 491 N 1.26 0.00 -0.12 1.19 0.04 -1.64 -1.62 116.94 116.05 3bga h PHE 491 Ca 0.32 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.88 3bga h PHE 491 Cb 0.01 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.17 3bga h PHE 491 CO 0.01 0.01 -0.76 0.93 -0.60 0.00 0.00 178.31 177.89 3bga h GLU 492 N 0.00 0.73 -0.21 1.51 5.08 -0.78 -1.88 114.58 119.03 3bga h GLU 492 Ca -0.00 -0.63 -0.12 0.00 -1.00 0.00 0.00 59.36 57.61 3bga h GLU 492 Cb 1.00 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3bga h GLU 492 CO 0.00 1.23 -0.35 0.00 -1.00 0.00 0.00 179.01 178.90 3bga h ARG 493 N 0.44 0.61 0.00 2.33 3.08 -0.96 -1.11 114.38 118.77 3bga h ARG 493 Ca -0.06 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.55 3bga h ARG 493 Cb 1.40 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 3bga h ARG 493 CO 0.16 0.98 -0.31 1.79 -1.07 0.00 0.00 179.97 181.52 3bga h THR 494 N 0.30 0.82 -0.06 2.04 1.35 -1.37 -0.99 112.91 115.00 3bga h THR 494 Ca 0.02 -1.28 -0.03 0.00 -0.55 0.00 0.00 66.41 64.56 3bga h THR 494 Cb 0.94 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3bga h THR 494 CO 0.08 0.31 -0.09 0.22 -0.25 0.00 0.00 175.52 175.78 3bga h TYR 495 N 0.00 0.21 -0.67 4.73 3.20 -1.24 -2.17 116.97 121.03 3bga h TYR 495 Ca -0.00 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.83 3bga h TYR 495 Cb 0.76 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 3bga h TYR 495 CO 0.00 0.67 0.41 -0.44 -1.64 0.00 0.00 178.16 177.15 3bga h ASP 496 N -0.30 0.66 -0.18 -2.11 3.32 -0.95 -0.82 116.42 116.03 3bga h ASP 496 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3bga h ASP 496 Cb 0.64 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3bga h ASP 496 CO 0.02 0.45 0.12 -0.25 -1.72 0.00 0.00 179.24 177.86 3bga h TRP 497 N 0.79 0.23 -0.78 4.55 7.01 -1.17 -1.74 115.95 124.85 3bga h TRP 497 Ca 0.28 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.32 3bga h TRP 497 Cb 0.06 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 3bga h TRP 497 CO -0.05 0.16 0.49 -0.07 -2.79 0.00 0.00 178.44 176.17 3bga h LEU 498 N 0.24 0.80 -1.54 0.65 3.38 -0.91 -1.33 115.31 116.60 3bga h LEU 498 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3bga h LEU 498 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3bga h LEU 498 CO -0.01 0.54 -0.24 0.11 0.09 0.00 0.00 178.44 178.93 3bga h LYS 499 N 0.94 0.00 -0.01 1.13 1.79 -0.87 0.59 116.57 120.13 3bga h LYS 499 Ca 0.32 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.64 3bga h LYS 499 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3bga h LYS 499 CO -0.12 0.24 -0.67 0.66 -1.08 0.00 0.00 179.45 178.47 3bga h SER 500 N 0.00 0.08 0.07 0.86 4.64 -0.34 -3.32 113.55 115.54 3bga h SER 500 Ca -0.00 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 3bga h SER 500 Cb 0.45 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3bga h SER 500 CO 0.03 0.73 -2.06 1.33 -0.87 0.00 0.00 176.83 175.99 3bga n VAL 501 N -3.77 0.52 -3.79 0.95 0.24 -0.94 -4.89 118.33 106.65 3bga n VAL 501 Ca -0.02 -0.62 -0.37 0.00 -2.04 0.00 0.00 64.34 61.29 3bga n VAL 501 Cb 0.66 -0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.71 3bga n VAL 501 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3bga s GLU 502 N -3.16 2.61 0.00 7.34 2.56 0.17 -4.93 118.70 123.29 3bga s GLU 502 Ca -0.08 -1.17 0.10 0.00 0.00 0.00 0.00 54.97 53.82 3bga s GLU 502 Cb 0.11 -3.39 0.25 0.00 2.00 0.00 0.00 34.13 33.10 3bga s GLU 502 CO 0.88 -0.64 1.16 1.63 -0.56 0.00 0.00 175.26 177.73 3bga n LYS 503 N 4.77 2.40 -0.18 4.30 4.76 -1.26 -4.58 118.16 128.37 3bga n LYS 503 Ca -0.13 -1.84 0.04 0.00 -2.87 0.00 0.00 58.31 53.51 3bga n LYS 503 Cb 0.45 -1.24 0.06 0.00 -1.84 0.00 0.00 35.03 32.45 3bga n LYS 503 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bga n GLY 504 N 0.48 2.40 3.33 0.72 0.00 -1.26 -5.05 105.19 105.81 3bga n GLY 504 Ca 0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3bga n GLY 504 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 505 N -1.40 0.46 0.68 1.61 0.52 -1.26 -4.03 118.95 115.54 3bga s ARG 505 Ca 0.14 0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 55.97 3bga s ARG 505 Cb 0.12 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.68 3bga s ARG 505 CO 0.01 -0.13 1.14 -2.14 0.02 0.00 0.00 175.30 174.20 3bga s PRO 506 N 1.06 2.60 -0.13 3.54 0.02 -1.25 -4.83 135.00 136.00 3bga s PRO 506 Ca -0.07 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.45 3bga s PRO 506 Cb -0.06 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.56 3bga s PRO 506 CO -0.09 -1.42 -0.16 0.08 -0.33 0.00 0.00 177.00 175.07 3bga s VAL 507 N -2.25 1.65 0.27 3.83 1.01 -1.26 -1.93 120.40 121.71 3bga s VAL 507 Ca 0.69 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.04 3bga s VAL 507 Cb -0.23 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3bga s VAL 507 CO 0.43 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.90 3bga s GLN 508 N 1.17 1.54 -0.30 2.72 -2.07 -0.23 0.25 119.66 122.73 3bga s GLN 508 Ca -0.02 -1.75 -0.09 0.00 -1.82 0.00 0.00 55.36 51.68 3bga s GLN 508 Cb -0.14 -1.26 0.15 0.00 -1.09 0.00 0.00 33.01 30.67 3bga s GLN 508 CO -0.06 0.11 0.72 -0.47 -1.32 0.00 0.00 175.29 174.27 3bga s TYR 509 N -2.92 -1.24 0.24 9.60 5.04 -1.26 -1.80 117.35 125.01 3bga s TYR 509 Ca 0.28 1.91 -0.06 0.00 -2.44 0.00 0.00 57.07 56.77 3bga s TYR 509 Cb 0.02 0.66 0.31 0.00 0.35 0.00 0.00 41.96 43.30 3bga s TYR 509 CO 0.11 -0.63 1.86 1.49 -1.34 0.00 0.00 175.55 177.04 3bga h GLU 510 N 7.91 0.99 0.00 4.97 4.22 -1.90 -2.56 114.58 128.21 3bga h GLU 510 Ca -0.18 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.20 3bga h GLU 510 Cb 1.12 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3bga h GLU 510 CO 0.12 0.66 0.00 0.54 -2.18 0.00 0.00 179.01 178.14 3bga n ARG 511 N -4.59 0.11 0.00 1.92 5.12 -1.26 -1.96 116.66 116.00 3bga n ARG 511 Ca 0.12 0.13 0.14 0.00 -1.93 0.00 0.00 57.85 56.31 3bga n ARG 511 Cb 0.15 -1.50 0.53 0.00 -1.16 0.00 0.00 32.46 30.48 3bga n ARG 511 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bga n ALA 512 N -1.42 2.61 0.00 7.54 0.00 -0.96 -4.52 120.51 123.76 3bga n ALA 512 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3bga n ALA 512 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3bga n ALA 512 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bga n GLU 513 N -1.52 0.00 -0.44 0.00 1.02 -0.83 -0.47 120.64 118.40 3bga n GLU 513 Ca 0.07 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 3bga n GLU 513 Cb 0.34 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.07 3bga n GLU 513 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bga n LEU 514 N 0.00 3.97 -4.68 -4.62 4.77 -1.26 -4.84 117.00 110.34 3bga n LEU 514 Ca 0.00 -1.99 -0.29 0.00 -0.03 0.00 0.00 56.01 53.70 3bga n LEU 514 Cb 0.00 -0.50 0.17 0.00 -2.33 0.00 0.00 43.42 40.76 3bga n LEU 514 CO 0.00 0.84 0.64 0.20 -1.33 0.00 0.00 177.39 177.74 3bga s ASN 515 N -0.94 2.80 0.39 -1.43 -0.87 0.38 -4.92 114.94 110.34 3bga s ASN 515 Ca 0.46 1.33 0.09 0.00 -1.57 0.00 0.00 52.86 53.18 3bga s ASN 515 Cb 0.26 -2.01 0.85 0.00 -0.02 0.00 0.00 41.25 40.34 3bga s ASN 515 CO 0.27 -3.04 1.95 0.10 -2.57 0.00 0.00 177.10 173.82 3bga h TYR 516 N -1.83 0.66 0.00 2.20 -0.00 -1.92 -3.35 116.97 112.73 3bga h TYR 516 Ca -0.53 0.02 -0.36 0.00 0.00 0.00 0.00 58.73 57.86 3bga h TYR 516 Cb 1.31 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.83 3bga h TYR 516 CO 0.34 0.32 1.93 0.27 -0.00 0.00 0.00 178.16 181.02 3bga n ASN 517 N -4.49 5.41 -3.65 0.10 6.94 -1.26 -4.64 115.26 113.67 3bga n ASN 517 Ca 0.11 -2.34 -0.02 0.00 -0.02 0.00 0.00 54.58 52.32 3bga n ASN 517 Cb 0.32 -1.18 -0.07 0.00 -2.36 0.00 0.00 39.78 36.50 3bga n ASN 517 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3bga s THR 518 N 2.47 0.00 -0.91 5.53 -1.32 -1.26 -4.51 115.64 115.65 3bga s THR 518 Ca 0.49 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.21 3bga s THR 518 Cb 0.16 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.08 3bga s THR 518 CO -0.03 0.00 1.21 0.47 -2.21 0.00 0.00 174.62 174.06 3bga n ASP 519 N 2.84 0.65 -4.04 8.08 8.00 0.14 -4.87 116.55 127.35 3bga n ASP 519 Ca -0.15 -0.41 -0.20 0.00 0.71 0.00 0.00 54.79 54.73 3bga n ASP 519 Cb 0.57 0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 42.06 3bga n ASP 519 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bga s ILE 520 N -3.05 0.86 -0.42 0.53 -1.09 -1.26 -4.59 121.20 112.19 3bga s ILE 520 Ca 0.09 -0.45 -0.24 0.00 -2.23 0.00 0.00 60.65 57.82 3bga s ILE 520 Cb 0.16 -0.74 0.02 0.00 -1.58 0.00 0.00 42.46 40.33 3bga s ILE 520 CO 0.76 0.25 0.85 -0.47 -1.23 0.00 0.00 174.94 175.11 3bga s TYR 521 N -0.12 3.01 -0.13 3.97 5.04 -0.45 -4.63 117.35 124.03 3bga s TYR 521 Ca 0.02 0.43 0.18 0.00 -2.44 0.00 0.00 57.07 55.26 3bga s TYR 521 Cb -0.06 -3.70 0.29 0.00 0.35 0.00 0.00 41.96 38.85 3bga s TYR 521 CO -0.00 -0.94 1.15 0.00 -1.34 0.00 0.00 175.55 174.42 3bga n ARG 523 N -1.38 0.00 -0.09 0.00 3.00 -1.26 -1.06 116.66 115.87 3bga n ARG 523 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 3bga n ARG 523 Cb 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 32.23 3bga n ARG 523 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3bga n TYR 525 N -2.88 0.00 -2.26 -0.14 4.01 0.85 -4.58 117.16 112.16 3bga n TYR 525 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 3bga n TYR 525 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3bga n TYR 525 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bga s ARG 526 N 0.00 3.38 0.93 -0.72 1.81 -1.26 -4.54 118.95 118.55 3bga s ARG 526 Ca 0.00 1.54 -0.14 0.00 -1.72 0.00 0.00 55.73 55.40 3bga s ARG 526 Cb 0.00 -2.02 0.16 0.00 -0.45 0.00 0.00 34.95 32.64 3bga s ARG 526 CO 0.00 -0.81 1.21 -1.54 -0.68 0.00 0.00 175.30 173.48 3bga s SER 527 N -1.91 3.43 0.17 0.23 1.04 -1.26 -4.86 113.70 110.54 3bga s SER 527 Ca 0.71 0.64 -0.13 0.00 0.48 0.00 0.00 55.95 57.65 3bga s SER 527 Cb -0.22 -0.97 0.07 0.00 0.10 0.00 0.00 66.02 65.00 3bga s SER 527 CO 0.27 -2.57 1.77 0.58 0.98 0.00 0.00 173.24 174.28 3bga h VAL 528 N -1.52 1.20 -0.90 5.02 2.07 -1.96 -1.67 116.25 118.50 3bga h VAL 528 Ca -0.46 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3bga h VAL 528 Cb 1.29 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3bga h VAL 528 CO 0.52 0.22 0.52 0.44 0.02 0.00 0.00 177.57 179.29 3bga h ASP 529 N 0.78 1.10 0.16 0.57 3.32 -1.99 -1.46 116.42 118.90 3bga h ASP 529 Ca 0.20 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3bga h ASP 529 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3bga h ASP 529 CO -0.03 0.86 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.64 3bga h GLU 530 N 1.24 0.30 -0.43 3.56 5.08 -1.83 -0.47 114.58 122.05 3bga h GLU 530 Ca 0.32 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3bga h GLU 530 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3bga h GLU 530 CO -0.06 0.65 0.07 0.82 -1.00 0.00 0.00 179.01 179.49 3bga h ILE 531 N 0.26 1.24 -0.75 3.13 1.08 -0.66 -2.05 117.51 119.76 3bga h ILE 531 Ca 0.03 -0.88 -0.06 0.00 -0.39 0.00 0.00 64.86 63.56 3bga h ILE 531 Cb 0.80 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 3bga h ILE 531 CO 0.06 0.30 0.24 0.11 -0.69 0.00 0.00 178.15 178.18 3bga h LYS 532 N 0.56 1.15 -0.97 2.37 1.57 -0.97 -2.28 116.57 118.00 3bga h LYS 532 Ca 0.13 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3bga h LYS 532 Cb 0.37 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3bga h LYS 532 CO 0.01 0.97 0.61 0.00 -0.57 0.00 0.00 179.45 180.47 3bga h ALA 533 N 1.13 1.24 0.47 3.86 0.00 -0.85 -1.76 119.26 123.34 3bga h ALA 533 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3bga h ALA 533 Cb 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3bga h ALA 533 CO -0.01 0.67 -0.23 -0.92 0.00 0.00 0.00 179.25 178.76 3bga h TYR 534 N 1.33 -0.59 0.00 0.00 3.20 -0.96 -3.06 116.97 116.90 3bga h TYR 534 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 3bga h TYR 534 Cb -0.09 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3bga h TYR 534 CO 0.00 -0.26 0.00 -0.24 -1.64 0.00 0.00 178.16 176.02 3bga h VAL 535 N -0.99 0.00 -0.57 1.81 3.04 -1.39 0.58 116.25 118.73 3bga h VAL 535 Ca -0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3bga h VAL 535 Cb 0.59 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3bga h VAL 535 CO 0.11 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.28 3bga n GLY 536 N -1.11 1.68 3.84 3.17 0.00 -0.67 -4.92 105.19 107.18 3bga n GLY 536 Ca -0.03 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3bga n GLY 536 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 537 N -1.26 4.04 0.34 1.61 2.20 0.19 -5.04 119.74 121.82 3bga s LYS 537 Ca 0.38 0.58 -0.27 0.00 -0.36 0.00 0.00 55.97 56.30 3bga s LYS 537 Cb 0.20 -2.92 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 3bga s LYS 537 CO 0.26 0.46 1.07 0.15 -0.36 0.00 0.00 175.35 176.92 3bga s LYS 538 N -1.96 4.40 -0.74 4.03 1.02 -1.26 -3.90 119.74 121.33 3bga s LYS 538 Ca 0.39 1.65 0.00 0.00 0.02 0.00 0.00 55.97 58.03 3bga s LYS 538 Cb -0.15 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3bga s LYS 538 CO 0.19 0.04 0.00 -0.25 -0.92 0.00 0.00 175.35 174.42 3bga n ASP 539 N 0.56 -4.99 -4.77 2.83 8.00 -1.26 -4.99 116.55 111.94 3bga n ASP 539 Ca 0.02 0.17 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 3bga n ASP 539 Cb 0.47 -3.10 -0.01 0.00 -0.02 0.00 0.00 41.12 38.46 3bga n ASP 539 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3bga s ILE 540 N -1.88 2.91 0.00 0.53 -4.36 -1.25 -4.93 121.20 112.23 3bga s ILE 540 Ca 0.00 0.77 0.00 0.00 -0.26 0.00 0.00 60.65 61.16 3bga s ILE 540 Cb 0.00 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.28 3bga s ILE 540 CO 0.00 0.07 0.73 0.00 0.24 0.00 0.00 174.94 175.98 3bga n TYR 541 N -0.03 0.00 -4.45 1.37 0.18 -1.26 -4.97 117.16 107.99 3bga n TYR 541 Ca 0.05 -0.26 -0.21 0.00 1.88 0.00 0.00 57.90 59.36 3bga n TYR 541 Cb 0.46 -0.03 -0.14 0.00 -0.38 0.00 0.00 39.34 39.25 3bga n TYR 541 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3bga s ARG 542 N -0.52 0.99 0.58 -3.48 0.52 -1.26 -4.00 118.95 111.78 3bga s ARG 542 Ca 0.00 -0.64 -0.16 0.00 -0.52 0.00 0.00 55.73 54.41 3bga s ARG 542 Cb 0.00 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 3bga s ARG 542 CO 0.00 0.25 1.04 -1.25 0.02 0.00 0.00 175.30 175.37 3bga s PRO 543 N -0.81 3.43 -0.41 3.54 0.04 -0.87 -4.67 135.00 135.25 3bga s PRO 543 Ca 0.03 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 3bga s PRO 543 Cb -0.07 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3bga s PRO 543 CO 0.01 -0.72 0.40 0.12 0.04 0.00 0.00 177.00 176.84 3bga s PHE 544 N -2.51 3.19 -0.26 0.56 5.99 -1.26 -1.35 117.98 122.34 3bga s PHE 544 Ca 0.62 -0.42 -0.01 0.00 0.00 0.00 0.00 56.93 57.13 3bga s PHE 544 Cb -0.15 -2.80 0.08 0.00 0.00 0.00 0.00 43.02 40.15 3bga s PHE 544 CO 0.37 -0.66 0.05 0.42 -0.00 0.00 0.00 175.22 175.39 3bga s ILE 545 N 2.01 0.93 -0.05 3.12 1.01 -0.42 -1.63 121.20 126.17 3bga s ILE 545 Ca 0.10 -1.13 -0.33 0.00 0.00 0.00 0.00 60.65 59.29 3bga s ILE 545 Cb -0.18 -1.52 -0.11 0.00 0.01 0.00 0.00 42.46 40.66 3bga s ILE 545 CO 0.13 -0.42 1.92 0.18 0.00 0.00 0.00 174.94 176.74 3bga n LEU 546 N 4.86 3.70 -0.31 2.97 7.99 0.06 -4.07 117.00 132.20 3bga n LEU 546 Ca -0.06 0.95 -0.05 0.00 -0.01 0.00 0.00 56.01 56.84 3bga n LEU 546 Cb 0.44 -1.42 0.08 0.00 -0.11 0.00 0.00 43.42 42.40 3bga n LEU 546 CO 0.13 0.04 1.14 0.00 -1.51 0.00 0.00 177.39 177.19 3bga s GLU 548 N -5.81 0.22 0.20 0.00 2.02 -1.25 -4.17 118.70 109.92 3bga s GLU 548 Ca -0.13 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 54.94 3bga s GLU 548 Cb 0.16 0.07 0.05 0.00 0.10 0.00 0.00 34.13 34.50 3bga s GLU 548 CO 0.82 -0.05 0.77 1.52 0.02 0.00 0.00 175.26 178.34 3bga s TYR 549 N 0.31 -0.25 -1.13 1.61 -0.85 -0.81 -0.11 117.35 116.12 3bga s TYR 549 Ca -0.02 -0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.30 3bga s TYR 549 Cb -0.03 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3bga s TYR 549 CO -0.01 -1.01 0.82 -0.11 -1.52 0.00 0.00 175.55 173.72 3bga n LEU 550 N -0.43 -3.76 -4.48 -3.49 7.94 -1.26 -1.01 117.00 110.51 3bga n LEU 550 Ca -0.07 -0.90 -0.52 0.00 -1.11 0.00 0.00 56.01 53.41 3bga n LEU 550 Cb 0.61 -2.68 -0.07 0.00 0.53 0.00 0.00 43.42 41.80 3bga n LEU 550 CO 0.14 0.35 1.71 1.57 -1.11 0.00 0.00 177.39 180.05 3bga n HIS 551 N -3.89 1.67 -3.19 1.96 -0.00 -1.26 -4.19 115.22 106.33 3bga n HIS 551 Ca -0.11 0.34 -0.39 0.00 -0.00 0.00 0.00 57.72 57.56 3bga n HIS 551 Cb 0.61 -2.51 -0.06 0.00 -0.00 0.00 0.00 29.99 28.04 3bga n HIS 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3bga s ALA 552 N 6.49 3.46 0.00 1.57 0.00 -1.24 -4.14 121.76 127.91 3bga s ALA 552 Ca 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3bga s ALA 552 Cb -0.93 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3bga s ALA 552 CO 0.53 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3bga n GLY 554 N 3.43 0.00 3.50 0.00 0.00 -1.26 -3.67 105.19 107.19 3bga n GLY 554 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3bga n GLY 554 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 555 N 0.00 6.35 0.00 1.61 3.84 -1.26 -4.91 114.94 120.57 3bga s ASN 555 Ca 0.00 -1.20 0.00 0.00 0.21 0.00 0.00 52.86 51.87 3bga s ASN 555 Cb 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 3bga s ASN 555 CO 0.00 -1.48 0.00 -0.24 -2.79 0.00 0.00 177.10 172.59 3bga n SER 556 N 8.16 0.03 -1.17 -4.21 2.88 -1.26 -4.68 113.62 113.37 3bga n SER 556 Ca 0.13 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 3bga n SER 556 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3bga n SER 556 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bga s GLY 558 N -2.56 2.21 0.00 0.00 0.00 -0.69 -4.82 107.32 101.46 3bga s GLY 558 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3bga s GLY 558 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.31 3bga n GLY 559 N -1.11 -0.45 3.30 0.20 0.00 0.35 -4.40 105.19 103.07 3bga n GLY 559 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3bga n GLY 559 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bga n LYS 561 N -0.44 0.00 -0.30 1.61 4.81 -1.26 -3.17 118.16 119.41 3bga n LYS 561 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3bga n LYS 561 Cb 0.02 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.27 3bga n LYS 561 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3bga h GLU 562 N 0.00 1.12 -0.04 1.64 3.07 -1.97 -1.91 114.58 116.49 3bga h GLU 562 Ca 0.00 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3bga h GLU 562 Cb 0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.66 3bga h GLU 562 CO 0.00 0.74 0.02 1.88 -1.40 0.00 0.00 179.01 180.25 3bga h TYR 563 N 1.15 0.06 0.00 4.33 -1.99 -1.98 -3.18 116.97 115.36 3bga h TYR 563 Ca 0.34 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 3bga h TYR 563 Cb -0.05 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3bga h TYR 563 CO -0.00 0.15 0.00 -1.49 -0.00 0.00 0.00 178.16 176.82 3bga h TRP 564 N -0.05 0.00 0.00 4.88 4.06 -1.80 -2.27 115.95 120.76 3bga h TRP 564 Ca 0.01 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.88 3bga h TRP 564 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3bga h TRP 564 CO -0.04 0.00 -0.38 0.93 -3.56 0.00 0.00 178.44 175.39 3bga h GLU 565 N 0.00 0.00 0.10 0.49 5.08 -1.33 -1.10 114.58 117.82 3bga h GLU 565 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3bga h GLU 565 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3bga h GLU 565 CO 0.00 0.38 -0.90 0.28 -1.00 0.00 0.00 179.01 177.77 3bga h VAL 566 N 0.00 1.37 -0.93 3.13 2.07 -1.49 -3.02 116.25 117.38 3bga h VAL 566 Ca -0.00 -2.44 0.03 0.00 0.82 0.00 0.00 66.70 65.11 3bga h VAL 566 Cb 0.92 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 3bga h VAL 566 CO 0.05 0.66 0.61 -0.26 0.02 0.00 0.00 177.57 178.65 3bga h PHE 567 N -0.51 1.13 0.00 1.57 0.05 -1.34 0.19 116.94 118.04 3bga h PHE 567 Ca -0.18 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.63 3bga h PHE 567 Cb 1.55 -0.38 0.00 0.00 2.00 0.00 0.00 35.95 39.12 3bga h PHE 567 CO 0.18 0.67 0.00 0.93 -0.18 0.00 0.00 178.31 179.91 3bga h GLU 568 N 1.18 0.00 0.00 1.51 5.08 -1.32 -3.32 114.58 117.71 3bga h GLU 568 Ca 0.36 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 3bga h GLU 568 Cb -0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3bga h GLU 568 CO -0.10 0.00 -2.02 -1.71 -1.00 0.00 0.00 179.01 174.18 3bga n ASN 569 N -2.55 0.95 -4.50 1.42 5.15 -0.73 -4.93 115.26 110.07 3bga n ASN 569 Ca 0.04 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.64 3bga n ASN 569 Cb 0.42 1.22 -0.11 0.00 -0.53 0.00 0.00 39.78 40.77 3bga n ASN 569 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bga s GLU 570 N -2.68 3.59 0.00 1.20 0.41 0.60 -5.08 118.70 116.73 3bga s GLU 570 Ca -0.08 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.93 3bga s GLU 570 Cb 0.07 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 3bga s GLU 570 CO 0.70 -0.32 0.00 -0.35 -0.49 0.00 0.00 175.26 174.80 3bga n PRO 571 N 5.02 0.00 -1.15 0.39 -0.04 -1.26 -4.47 135.00 133.49 3bga n PRO 571 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3bga n PRO 571 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3bga n PRO 571 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bga n ALA 573 N 1.03 -1.22 -0.88 0.55 0.00 -1.26 -4.86 120.51 113.87 3bga n ALA 573 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3bga n ALA 573 Cb 0.00 -0.13 0.40 0.00 0.00 0.00 0.00 19.45 19.72 3bga n ALA 573 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bga n GLN 574 N 0.82 4.87 0.00 0.00 6.02 -0.65 -4.30 117.38 124.15 3bga n GLN 574 Ca 0.00 -3.14 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 3bga n GLN 574 Cb 0.11 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.11 3bga n GLN 574 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 575 N 0.64 0.28 0.00 1.08 0.00 -1.25 0.43 105.19 106.37 3bga n GLY 575 Ca 0.28 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3bga n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 576 N 0.00 -1.39 3.34 -0.02 0.00 -0.74 -0.76 105.19 105.63 3bga n GLY 576 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3bga n GLY 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ILE 578 N 0.87 2.49 -0.31 0.00 1.01 -0.63 -1.92 121.20 122.71 3bga s ILE 578 Ca -0.03 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 3bga s ILE 578 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3bga s ILE 578 CO 0.00 0.08 1.42 0.86 0.00 0.00 0.00 174.94 177.31 3bga s TRP 579 N -0.33 2.44 0.17 3.97 -0.11 -0.18 -0.80 118.94 124.10 3bga s TRP 579 Ca 0.57 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.63 3bga s TRP 579 Cb -0.43 -4.04 0.00 0.00 -1.50 0.00 0.00 33.47 27.49 3bga s TRP 579 CO 0.48 -2.11 0.00 -0.25 -4.62 0.00 0.00 176.95 170.45 3bga n ASP 580 N 8.25 -6.44 -0.04 5.86 10.43 -1.26 -3.60 116.55 129.76 3bga n ASP 580 Ca 0.16 0.85 -0.13 0.00 2.57 0.00 0.00 54.79 58.24 3bga n ASP 580 Cb 0.47 -3.22 -0.11 0.00 1.84 0.00 0.00 41.12 40.09 3bga n ASP 580 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 3bga h TRP 581 N 2.37 -0.00 -3.99 1.24 2.91 -1.19 -2.57 115.95 114.71 3bga h TRP 581 Ca 0.00 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.51 3bga h TRP 581 Cb 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 29.16 28.35 3bga h TRP 581 CO 0.00 0.70 -0.82 0.54 -1.03 0.00 0.00 178.44 177.83 3bga s VAL 582 N -3.36 1.18 0.37 2.65 0.11 -1.26 -0.17 120.40 119.91 3bga s VAL 582 Ca -0.17 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.00 3bga s VAL 582 Cb -0.00 -1.01 -0.11 0.00 -1.53 0.00 0.00 36.38 33.73 3bga s VAL 582 CO 0.68 0.34 1.49 -1.81 -3.33 0.00 0.00 175.10 172.47 3bga s ASP 583 N -0.05 6.35 -1.15 3.54 1.01 -0.87 -4.39 116.67 121.12 3bga s ASP 583 Ca -0.00 3.04 -0.05 0.00 0.71 0.00 0.00 52.55 56.25 3bga s ASP 583 Cb -0.09 -2.67 0.26 0.00 1.01 0.00 0.00 42.92 41.43 3bga s ASP 583 CO 0.01 -0.87 1.70 0.00 0.21 0.00 0.00 175.17 176.21 3bga n GLN 584 N 0.52 4.37 -4.39 8.23 6.02 -0.69 -3.94 117.38 127.50 3bga n GLN 584 Ca 0.01 -4.21 -0.26 0.00 -0.01 0.00 0.00 57.00 52.53 3bga n GLN 584 Cb 0.39 -2.63 -0.11 0.00 1.02 0.00 0.00 30.24 28.92 3bga n GLN 584 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bga s ASN 585 N -0.88 3.72 0.08 1.08 0.01 -1.26 -4.61 114.94 113.08 3bga s ASN 585 Ca 0.36 -0.79 0.07 0.00 -0.71 0.00 0.00 52.86 51.78 3bga s ASN 585 Cb 0.09 -0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 3bga s ASN 585 CO 0.04 0.10 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.25 3bga s PHE 586 N -1.79 2.69 -0.20 2.20 0.08 -1.23 -4.79 117.98 114.93 3bga s PHE 586 Ca 0.23 -0.18 -0.10 0.00 0.12 0.00 0.00 56.93 57.01 3bga s PHE 586 Cb -0.08 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 3bga s PHE 586 CO 0.12 0.38 0.13 0.50 -0.10 0.00 0.00 175.22 176.25 3bga s ARG 587 N -1.95 4.15 0.23 0.44 3.52 -1.26 -0.46 118.95 123.62 3bga s ARG 587 Ca 0.19 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.61 3bga s ARG 587 Cb -0.11 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 3bga s ARG 587 CO 0.11 0.26 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.57 3bga s GLU 588 N 0.46 1.37 -0.10 5.12 0.41 -0.82 -4.98 118.70 120.16 3bga s GLU 588 Ca 0.07 -1.65 0.04 0.00 -0.41 0.00 0.00 54.97 53.02 3bga s GLU 588 Cb -0.11 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 31.27 3bga s GLU 588 CO -0.01 0.06 -0.23 0.42 -0.49 0.00 0.00 175.26 175.02 3bga s ILE 589 N -3.12 1.97 0.88 -1.63 1.09 -1.26 -1.63 121.20 117.50 3bga s ILE 589 Ca 0.25 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.74 3bga s ILE 589 Cb 0.02 -1.71 0.18 0.00 -1.06 0.00 0.00 42.46 39.90 3bga s ILE 589 CO 0.08 0.54 1.20 1.51 -0.10 0.00 0.00 174.94 178.17 3bga s ASP 590 N 0.37 3.48 0.66 3.58 1.47 -0.21 -4.88 116.67 121.14 3bga s ASP 590 Ca -0.19 -0.08 0.35 0.00 1.18 0.00 0.00 52.55 53.82 3bga s ASP 590 Cb -0.18 -0.04 1.94 0.00 -0.34 0.00 0.00 42.92 44.31 3bga s ASP 590 CO 0.08 -2.47 2.12 0.07 0.68 0.00 0.00 175.17 175.66 3bga h LYS 591 N -1.24 0.00 -0.70 2.11 2.10 -2.01 0.99 116.57 117.82 3bga h LYS 591 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3bga h LYS 591 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3bga h LYS 591 CO 0.36 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 3bga n ASP 592 N -3.10 3.88 -0.28 7.07 8.00 -1.26 -4.93 116.55 125.93 3bga n ASP 592 Ca -0.02 -2.00 -0.04 0.00 0.71 0.00 0.00 54.79 53.45 3bga n ASP 592 Cb 0.26 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 3bga n ASP 592 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 593 N 1.65 0.62 3.68 0.44 0.00 0.34 -5.02 105.19 106.90 3bga n GLY 593 Ca 0.24 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3bga n GLY 593 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 594 N -2.43 4.11 0.57 1.61 1.02 -1.26 -4.82 119.74 118.54 3bga s LYS 594 Ca 0.00 -0.19 -0.06 0.00 0.02 0.00 0.00 55.97 55.74 3bga s LYS 594 Cb 0.00 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 3bga s LYS 594 CO 0.00 0.10 0.89 1.67 -0.92 0.00 0.00 175.35 177.09 3bga s TRP 595 N 0.92 3.38 0.07 3.18 1.48 -1.26 -1.04 118.94 125.67 3bga s TRP 595 Ca 0.09 0.77 -0.26 0.00 -1.06 0.00 0.00 56.10 55.64 3bga s TRP 595 Cb -0.13 -2.62 0.08 0.00 -1.16 0.00 0.00 33.47 29.64 3bga s TRP 595 CO 0.04 -0.67 0.71 1.52 -4.06 0.00 0.00 176.95 174.48 3bga s TYR 596 N -2.95 -0.49 0.11 1.66 -0.85 -0.64 -3.73 117.35 110.45 3bga s TYR 596 Ca 0.52 0.42 -0.15 0.00 -0.52 0.00 0.00 57.07 57.34 3bga s TYR 596 Cb -0.11 0.53 -0.07 0.00 0.38 0.00 0.00 41.96 42.70 3bga s TYR 596 CO 0.46 -0.71 0.52 -1.58 -1.52 0.00 0.00 175.55 172.72 3bga s TRP 597 N -3.10 3.66 0.16 -3.49 0.23 -1.26 -1.94 118.94 113.21 3bga s TRP 597 Ca 0.00 1.07 0.07 0.00 -2.03 0.00 0.00 56.10 55.21 3bga s TRP 597 Cb -0.01 -2.36 -0.04 0.00 0.03 0.00 0.00 33.47 31.09 3bga s TRP 597 CO -0.08 0.50 0.02 0.95 0.96 0.00 0.00 176.95 179.30 3bga s THR 598 N -1.34 3.87 0.00 2.01 -4.23 0.39 -4.78 115.64 111.57 3bga s THR 598 Ca 0.34 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3bga s THR 598 Cb -0.16 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3bga s THR 598 CO 0.18 -0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 3bga n TYR 599 N -0.08 -0.24 -1.49 3.99 0.18 -1.26 -3.51 117.16 114.74 3bga n TYR 599 Ca -0.10 0.00 -0.52 0.00 1.88 0.00 0.00 57.90 59.17 3bga n TYR 599 Cb 0.55 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 3bga n TYR 599 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3bga n GLY 600 N 0.00 -0.67 2.62 -7.48 0.00 0.48 -1.96 105.19 98.18 3bga n GLY 600 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3bga n GLY 600 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 601 N 1.82 1.62 0.00 -0.02 0.00 -1.26 -4.12 105.19 103.22 3bga n GLY 601 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 3bga n GLY 601 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bga n ASP 602 N 0.00 0.02 -4.10 1.61 8.00 -0.83 -4.79 116.55 116.46 3bga n ASP 602 Ca 0.00 -0.68 -0.19 0.00 0.71 0.00 0.00 54.79 54.63 3bga n ASP 602 Cb 0.00 -0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 40.86 3bga n ASP 602 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bga s TYR 603 N -2.22 1.03 0.00 1.24 1.51 -1.26 -5.03 117.35 112.62 3bga s TYR 603 Ca 0.41 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3bga s TYR 603 Cb 0.21 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 3bga s TYR 603 CO 0.40 0.00 0.00 0.41 -1.11 0.00 0.00 175.55 175.26 3bga n GLY 604 N 2.12 -0.35 3.75 0.71 0.00 -1.26 -4.88 105.19 105.28 3bga n GLY 604 Ca -0.17 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3bga n GLY 604 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bga s PRO 605 N -1.31 0.67 0.48 1.61 0.04 -1.26 -4.94 135.00 130.30 3bga s PRO 605 Ca 0.00 0.24 -0.24 0.00 0.04 0.00 0.00 61.00 61.04 3bga s PRO 605 Cb 0.00 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 3bga s PRO 605 CO 0.00 -2.51 1.37 -2.00 0.04 0.00 0.00 177.00 173.91 3bga s GLU 606 N -5.27 3.50 0.00 4.56 2.12 -1.26 -2.49 118.70 119.85 3bga s GLU 606 Ca 0.66 2.28 0.00 0.00 0.36 0.00 0.00 54.97 58.27 3bga s GLU 606 Cb -0.14 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.75 3bga s GLU 606 CO 0.54 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 3bga n GLY 607 N 0.64 1.03 3.72 -1.50 0.00 -1.26 -5.04 105.19 102.79 3bga n GLY 607 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3bga n GLY 607 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3bga n ILE 608 N -2.00 1.40 -1.60 -0.61 3.06 -1.04 -4.86 119.36 113.71 3bga n ILE 608 Ca 0.00 -0.35 -0.46 0.00 -2.50 0.00 0.00 62.75 59.44 3bga n ILE 608 Cb 0.00 -1.75 -0.03 0.00 0.54 0.00 0.00 39.64 38.40 3bga n ILE 608 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 3bga n PRO 609 N 1.45 1.40 -3.52 9.51 -0.02 -1.26 -4.83 135.00 137.72 3bga n PRO 609 Ca 0.07 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.87 3bga n PRO 609 Cb 0.36 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3bga n PRO 609 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bga s SER 610 N -0.17 -0.65 -0.10 2.55 0.15 -1.26 -4.33 113.70 109.89 3bga s SER 610 Ca 0.66 0.71 0.19 0.00 0.70 0.00 0.00 55.95 58.22 3bga s SER 610 Cb -0.75 0.53 0.43 0.00 -1.71 0.00 0.00 66.02 64.52 3bga s SER 610 CO 0.55 -0.59 1.19 0.33 1.20 0.00 0.00 173.24 175.91 3bga n PHE 611 N 0.91 0.07 -3.03 3.44 7.35 -0.62 -4.89 117.46 120.69 3bga n PHE 611 Ca -0.19 -0.98 0.00 0.00 -0.76 0.00 0.00 57.45 55.52 3bga n PHE 611 Cb 0.57 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.20 3bga n PHE 611 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bga n GLY 612 N -0.22 2.12 0.10 7.13 0.00 -1.26 -3.25 105.19 109.81 3bga n GLY 612 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3bga n GLY 612 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bga n ASN 613 N -0.62 0.17 0.00 1.61 6.94 -1.26 -0.39 115.26 121.71 3bga n ASN 613 Ca 0.00 -1.68 0.11 0.00 -0.02 0.00 0.00 54.58 52.99 3bga n ASN 613 Cb 0.00 -0.08 0.63 0.00 -2.36 0.00 0.00 39.78 37.97 3bga n ASN 613 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3bga n PHE 614 N -0.39 0.00 0.96 -2.53 3.72 -1.20 -2.95 117.46 115.07 3bga n PHE 614 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3bga n PHE 614 Cb 0.04 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.86 3bga n PHE 614 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bga s GLY 616 N -3.07 2.19 -0.06 0.00 0.00 -1.15 -1.70 107.32 103.52 3bga s GLY 616 Ca 0.11 -2.72 0.10 0.00 0.00 0.00 0.00 44.72 42.21 3bga s GLY 616 CO 0.69 1.16 1.08 0.70 0.00 0.00 0.00 173.10 176.73 3bga n ASN 617 N 4.74 1.10 -4.87 1.64 3.02 -1.26 -4.15 115.26 115.48 3bga n ASN 617 Ca -0.05 -2.54 -0.30 0.00 -0.03 0.00 0.00 54.58 51.66 3bga n ASN 617 Cb 0.41 -0.32 0.07 0.00 -0.61 0.00 0.00 39.78 39.33 3bga n ASN 617 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3bga s GLY 618 N -1.95 1.62 0.32 7.41 0.00 -1.24 -3.79 107.32 109.69 3bga s GLY 618 Ca 0.17 -0.41 0.23 0.00 0.00 0.00 0.00 44.72 44.71 3bga s GLY 618 CO -0.00 0.01 1.37 1.41 0.00 0.00 0.00 173.10 175.88 3bga h LEU 619 N -0.87 0.00 -8.53 0.66 3.38 -0.13 -3.45 115.31 106.37 3bga h LEU 619 Ca -0.46 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.26 3bga h LEU 619 Cb 1.28 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 3bga h LEU 619 CO 0.64 0.00 -0.68 0.68 0.09 0.00 0.00 178.44 179.17 3bga s VAL 620 N -3.27 0.65 0.96 1.22 -7.23 -0.63 -1.49 120.40 110.61 3bga s VAL 620 Ca 0.04 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 3bga s VAL 620 Cb 0.07 -1.88 0.20 0.00 0.56 0.00 0.00 36.38 35.33 3bga s VAL 620 CO 0.72 -0.69 1.31 0.54 -0.31 0.00 0.00 175.10 176.68 3bga s ASN 621 N -3.10 3.14 0.52 4.85 2.20 0.28 -2.04 114.94 120.79 3bga s ASN 621 Ca 0.17 0.24 0.24 0.00 -0.94 0.00 0.00 52.86 52.57 3bga s ASN 621 Cb 0.06 -0.28 1.35 0.00 -2.00 0.00 0.00 41.25 40.37 3bga s ASN 621 CO -0.01 -2.72 2.00 0.00 -2.94 0.00 0.00 177.10 173.43 3bga h ALA 622 N -1.61 2.43 -0.71 3.54 0.00 -1.87 0.64 119.26 121.67 3bga h ALA 622 Ca -0.44 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 3bga h ALA 622 Cb 1.23 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 3bga h ALA 622 CO 0.38 -0.58 0.27 1.33 0.00 0.00 0.00 179.25 180.64 3bga n VAL 623 N -4.40 2.81 -2.50 0.00 0.24 -1.26 -4.87 118.33 108.35 3bga n VAL 623 Ca 0.10 -1.53 -0.19 0.00 -2.04 0.00 0.00 64.34 60.68 3bga n VAL 623 Cb 0.57 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3bga n VAL 623 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bga n ARG 624 N -0.12 -2.24 -3.36 7.34 3.00 0.22 -4.99 116.66 116.51 3bga n ARG 624 Ca 0.39 0.88 -0.39 0.00 -0.01 0.00 0.00 57.85 58.72 3bga n ARG 624 Cb 1.35 -5.44 -0.08 0.00 0.00 0.00 0.00 32.46 28.29 3bga n ARG 624 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3bga s GLU 625 N -5.09 4.11 0.40 5.56 2.02 -1.26 -4.80 118.70 119.64 3bga s GLU 625 Ca 0.07 0.18 -0.26 0.00 0.02 0.00 0.00 54.97 54.98 3bga s GLU 625 Cb -0.03 -3.59 -0.09 0.00 0.10 0.00 0.00 34.13 30.52 3bga s GLU 625 CO 0.09 -0.17 1.36 -1.25 0.02 0.00 0.00 175.26 175.31 3bga s PRO 626 N 1.71 3.97 0.50 0.39 0.04 -1.26 -0.56 135.00 139.79 3bga s PRO 626 Ca 0.18 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.45 3bga s PRO 626 Cb -0.15 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 3bga s PRO 626 CO 0.09 -0.54 0.82 -1.01 0.04 0.00 0.00 177.00 176.40 3bga s HIS 627 N -1.21 3.56 0.34 0.56 3.76 -0.55 -4.86 115.29 116.88 3bga s HIS 627 Ca 0.56 0.86 0.07 0.00 -0.15 0.00 0.00 55.06 56.40 3bga s HIS 627 Cb -0.41 -2.36 0.74 0.00 1.11 0.00 0.00 32.58 31.66 3bga s HIS 627 CO 0.53 -0.34 1.87 -1.35 -0.85 0.00 0.00 174.74 174.60 3bga h PRO 628 N 0.15 0.76 0.00 8.40 0.11 -1.91 -1.79 132.00 137.72 3bga h PRO 628 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bga h PRO 628 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3bga h PRO 628 CO 0.62 0.50 0.00 1.12 -0.21 0.00 0.00 178.00 180.03 3bga h HIS 629 N 0.78 0.00 -0.33 0.65 2.07 -1.86 -1.67 115.15 114.79 3bga h HIS 629 Ca 0.45 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.92 3bga h HIS 629 Cb 0.61 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.58 3bga h HIS 629 CO -0.00 0.00 -0.01 1.25 -3.07 0.00 0.00 177.93 176.10 3bga h LEU 630 N 0.00 0.49 -1.53 6.12 5.85 -1.52 -1.33 115.31 123.39 3bga h LEU 630 Ca 0.00 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3bga h LEU 630 Cb 0.18 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3bga h LEU 630 CO 0.00 0.56 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.35 3bga h LEU 631 N 0.50 0.00 -0.33 2.25 3.38 -1.44 -0.35 115.31 119.32 3bga h LEU 631 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3bga h LEU 631 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3bga h LEU 631 CO 0.01 0.25 -0.50 -0.08 0.09 0.00 0.00 178.44 178.20 3bga h GLU 632 N 0.00 0.90 -0.93 1.13 4.57 -1.32 -2.71 114.58 116.21 3bga h GLU 632 Ca -0.00 -0.54 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3bga h GLU 632 Cb 0.48 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 3bga h GLU 632 CO 0.03 1.18 0.57 0.28 -1.18 0.00 0.00 179.01 179.90 3bga h VAL 633 N 0.70 1.25 -0.67 0.32 2.07 -0.68 -0.74 116.25 118.50 3bga h VAL 633 Ca 0.03 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3bga h VAL 633 Cb 1.11 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3bga h VAL 633 CO 0.12 0.26 0.40 0.50 0.02 0.00 0.00 177.57 178.87 3bga h LYS 634 N 1.28 0.90 -0.17 1.57 3.64 -0.95 0.98 116.57 123.82 3bga h LYS 634 Ca 0.34 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3bga h LYS 634 Cb -0.07 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3bga h LYS 634 CO -0.07 0.64 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.50 3bga h LYS 635 N 0.90 0.33 -0.06 1.90 1.63 -1.11 -1.89 116.57 118.27 3bga h LYS 635 Ca 0.24 -0.12 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 3bga h LYS 635 Cb -0.03 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3bga h LYS 635 CO -0.05 0.59 -0.50 0.82 -3.45 0.00 0.00 179.45 176.86 3bga h ILE 636 N 0.05 1.35 -0.00 2.00 1.08 -1.02 -3.00 117.51 117.96 3bga h ILE 636 Ca 0.05 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 3bga h ILE 636 Cb 0.46 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 3bga h ILE 636 CO 0.02 0.51 -0.21 -1.22 -0.69 0.00 0.00 178.15 176.55 3bga n TYR 637 N -3.95 0.00 -1.65 1.37 4.01 0.33 -4.93 117.16 112.33 3bga n TYR 637 Ca -0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.35 3bga n TYR 637 Cb 0.53 -0.31 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 3bga n TYR 637 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bga n GLN 638 N -1.32 0.95 -0.30 -0.72 10.64 -0.71 -4.88 117.38 121.04 3bga n GLN 638 Ca 0.09 0.37 0.11 0.00 -1.83 0.00 0.00 57.00 55.74 3bga n GLN 638 Cb 0.32 -2.28 0.29 0.00 -0.86 0.00 0.00 30.24 27.70 3bga n GLN 638 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3bga n ASN 639 N -1.14 3.60 -3.77 2.61 4.13 -1.26 -4.73 115.26 114.69 3bga n ASN 639 Ca 0.14 -1.99 -0.30 0.00 1.68 0.00 0.00 54.58 54.11 3bga n ASN 639 Cb 0.48 -0.40 -0.15 0.00 -1.54 0.00 0.00 39.78 38.17 3bga n ASN 639 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bga s ILE 640 N -1.21 1.09 -0.13 2.41 -1.09 -1.26 0.73 121.20 121.74 3bga s ILE 640 Ca 0.44 -1.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 3bga s ILE 640 Cb 0.24 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.28 3bga s ILE 640 CO 0.32 -0.67 -0.15 -0.54 -1.23 0.00 0.00 174.94 172.66 3bga s LYS 641 N 1.48 3.29 0.26 2.79 1.02 -0.94 -4.60 119.74 123.04 3bga s LYS 641 Ca 0.10 -0.73 0.12 0.00 0.02 0.00 0.00 55.97 55.48 3bga s LYS 641 Cb -0.18 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3bga s LYS 641 CO -0.22 0.14 -0.21 0.00 -0.92 0.00 0.00 175.35 174.15 3bga s ALA 642 N 0.50 2.66 0.02 5.17 0.00 -1.26 -0.57 121.76 128.29 3bga s ALA 642 Ca -0.10 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.06 3bga s ALA 642 Cb -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3bga s ALA 642 CO 0.04 0.30 -0.05 0.95 0.00 0.00 0.00 175.76 177.01 3bga s THR 643 N -2.35 0.28 -0.48 0.00 -4.23 -1.08 -4.98 115.64 102.80 3bga s THR 643 Ca 0.27 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.72 3bga s THR 643 Cb -0.05 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 73.45 3bga s THR 643 CO 0.13 -0.35 0.93 -0.22 -0.54 0.00 0.00 174.62 174.58 3bga s LEU 644 N -1.23 4.01 -0.09 4.79 2.96 -1.26 -1.19 118.68 126.67 3bga s LEU 644 Ca -0.11 0.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3bga s LEU 644 Cb -0.08 -3.14 -0.28 0.00 0.50 0.00 0.00 46.19 43.18 3bga s LEU 644 CO -0.00 -1.09 0.76 -1.28 -1.32 0.00 0.00 176.35 173.41 3bga h SER 645 N 9.13 0.31 -3.45 3.68 0.87 -0.85 -3.44 113.55 119.80 3bga h SER 645 Ca -0.24 -0.92 -0.60 0.00 -1.23 0.00 0.00 61.79 58.80 3bga h SER 645 Cb 1.07 -0.10 -0.39 0.00 -0.44 0.00 0.00 62.40 62.54 3bga h SER 645 CO 1.04 1.35 -0.76 -0.62 -0.53 0.00 0.00 176.83 177.31 3bga s ASP 646 N -6.79 3.96 0.34 6.23 3.68 -0.65 -4.96 116.67 118.48 3bga s ASP 646 Ca -0.17 -1.45 0.04 0.00 2.13 0.00 0.00 52.55 53.10 3bga s ASP 646 Cb 0.01 -1.09 0.62 0.00 -1.45 0.00 0.00 42.92 41.02 3bga s ASP 646 CO 0.77 -0.33 1.90 0.03 0.13 0.00 0.00 175.17 177.67 3bga h ARG 647 N 7.97 0.57 -0.09 4.34 3.08 -1.86 0.12 114.38 128.51 3bga h ARG 647 Ca -0.14 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 3bga h ARG 647 Cb 1.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3bga h ARG 647 CO 0.44 0.54 -0.33 1.57 -1.07 0.00 0.00 179.97 181.12 3bga h LYS 648 N 0.55 0.39 -0.44 0.04 2.10 -1.99 -3.27 116.57 113.96 3bga h LYS 648 Ca 0.13 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 3bga h LYS 648 Cb 0.25 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3bga h LYS 648 CO 0.00 0.92 0.00 0.09 -2.00 0.00 0.00 179.45 178.46 3bga n ASN 649 N -4.40 3.30 -3.52 7.07 3.02 -1.22 -3.47 115.26 116.04 3bga n ASN 649 Ca -0.08 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.25 3bga n ASN 649 Cb 0.50 -0.28 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 3bga n ASN 649 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3bga n LEU 650 N 1.36 -3.87 -4.54 3.41 4.77 0.28 0.48 117.00 118.89 3bga n LEU 650 Ca 0.20 -0.91 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 3bga n LEU 650 Cb 0.57 -2.69 -0.11 0.00 -2.33 0.00 0.00 43.42 38.85 3bga n LEU 650 CO 0.15 0.34 -0.17 -0.75 -1.33 0.00 0.00 177.39 175.63 3bga s LYS 651 N -5.40 3.71 0.05 3.23 2.20 -0.34 0.13 119.74 123.33 3bga s LYS 651 Ca 0.47 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 3bga s LYS 651 Cb -0.13 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3bga s LYS 651 CO 0.82 -0.29 -0.01 0.14 -0.36 0.00 0.00 175.35 175.65 3bga s VAL 652 N 1.72 4.04 -0.42 4.02 -7.23 -0.78 -0.11 120.40 121.63 3bga s VAL 652 Ca 0.06 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 3bga s VAL 652 Cb -0.16 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 33.99 3bga s VAL 652 CO 0.10 0.23 0.28 0.00 -0.31 0.00 0.00 175.10 175.40 3bga s ILE 654 N 1.45 5.10 -0.20 0.00 -1.09 0.70 -2.65 121.20 124.52 3bga s ILE 654 Ca 0.03 1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 59.63 3bga s ILE 654 Cb -0.23 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 3bga s ILE 654 CO 0.03 0.27 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.24 3bga s LYS 655 N 0.81 3.56 -0.42 2.79 2.47 0.27 -0.20 119.74 129.02 3bga s LYS 655 Ca 0.32 -0.55 -0.22 0.00 -1.56 0.00 0.00 55.97 53.96 3bga s LYS 655 Cb -0.16 -3.03 0.02 0.00 -1.46 0.00 0.00 37.83 33.20 3bga s LYS 655 CO 0.14 -0.00 0.74 1.21 0.16 0.00 0.00 175.35 177.60 3bga s ASN 656 N 1.02 6.42 0.00 1.43 2.47 -0.28 -2.22 114.94 123.79 3bga s ASN 656 Ca 0.01 -0.04 0.24 0.00 0.42 0.00 0.00 52.86 53.49 3bga s ASN 656 Cb -0.14 -2.37 0.57 0.00 -1.45 0.00 0.00 41.25 37.85 3bga s ASN 656 CO 0.01 -0.82 1.47 0.79 -3.72 0.00 0.00 177.10 174.83 3bga n TRP 657 N 6.50 0.20 -2.01 0.43 7.02 0.22 -0.29 117.44 129.52 3bga n TRP 657 Ca 0.01 -0.10 -0.34 0.00 -1.02 0.00 0.00 57.50 56.05 3bga n TRP 657 Cb 0.48 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.39 3bga n TRP 657 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3bga s TYR 658 N -1.80 2.70 -0.13 -5.99 2.02 -1.21 -4.84 117.35 108.10 3bga s TYR 658 Ca 0.34 1.55 0.16 0.00 -0.37 0.00 0.00 57.07 58.75 3bga s TYR 658 Cb 0.20 -3.19 -0.24 0.00 -0.40 0.00 0.00 41.96 38.33 3bga s TYR 658 CO 0.30 -1.54 0.38 -0.25 -1.57 0.00 0.00 175.55 172.87 3bga n ASP 659 N -1.89 0.40 -0.18 2.29 8.00 -1.26 -3.54 116.55 120.38 3bga n ASP 659 Ca 0.11 0.19 0.02 0.00 0.71 0.00 0.00 54.79 55.81 3bga n ASP 659 Cb 0.52 0.58 0.02 0.00 -0.02 0.00 0.00 41.12 42.22 3bga n ASP 659 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bga n PHE 660 N -2.85 0.00 -4.74 1.24 3.72 -1.26 -4.83 117.46 108.74 3bga n PHE 660 Ca -0.23 -0.26 -0.24 0.00 -0.05 0.00 0.00 57.45 56.67 3bga n PHE 660 Cb 1.06 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 39.40 3bga n PHE 660 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bga s SER 661 N -1.01 1.86 0.35 4.37 0.01 -1.26 -4.99 113.70 113.03 3bga s SER 661 Ca 0.06 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 3bga s SER 661 Cb 0.05 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 3bga s SER 661 CO 0.01 0.19 0.76 0.21 0.41 0.00 0.00 173.24 174.82 3bga s ASN 662 N -0.40 6.75 0.56 2.44 3.84 -1.26 -4.18 114.94 122.68 3bga s ASN 662 Ca 0.06 1.30 0.25 0.00 0.21 0.00 0.00 52.86 54.67 3bga s ASN 662 Cb -0.06 -2.38 1.61 0.00 -0.55 0.00 0.00 41.25 39.86 3bga s ASN 662 CO -0.01 -0.25 2.21 -0.07 -2.79 0.00 0.00 177.10 176.19 3bga h LEU 663 N 2.06 0.00 0.00 3.21 3.38 -1.61 -2.15 115.31 120.20 3bga h LEU 663 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3bga h LEU 663 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3bga h LEU 663 CO 0.65 0.01 0.00 -0.46 0.09 0.00 0.00 178.44 178.73 3bga n ASN 664 N -4.07 0.00 -0.47 -0.43 0.23 -0.14 -0.37 115.26 110.01 3bga n ASN 664 Ca -0.03 -0.33 0.13 0.00 -0.53 0.00 0.00 54.58 53.82 3bga n ASN 664 Cb 0.10 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.18 3bga n ASN 664 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3bga n GLU 665 N -0.91 1.45 -4.42 -3.83 1.02 -0.81 -4.90 120.64 108.25 3bga n GLU 665 Ca 0.05 -0.94 -0.21 0.00 -0.02 0.00 0.00 57.16 56.04 3bga n GLU 665 Cb 0.03 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 3bga n GLU 665 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3bga s TYR 666 N -2.19 1.94 -0.11 -0.32 2.02 0.50 -2.06 117.35 117.12 3bga s TYR 666 Ca 0.31 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 3bga s TYR 666 Cb 0.20 -1.07 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3bga s TYR 666 CO 0.41 0.31 -0.21 0.42 -1.57 0.00 0.00 175.55 174.91 3bga s ILE 667 N -2.98 2.35 -0.23 2.71 -1.09 0.68 -4.63 121.20 118.01 3bga s ILE 667 Ca 0.29 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 3bga s ILE 667 Cb 0.03 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 3bga s ILE 667 CO 0.11 0.55 0.38 -0.22 -1.23 0.00 0.00 174.94 174.53 3bga s LEU 668 N 0.33 4.11 -0.36 2.97 2.96 -0.28 -2.25 118.68 126.16 3bga s LEU 668 Ca -0.16 0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3bga s LEU 668 Cb -0.17 -2.46 0.11 0.00 0.50 0.00 0.00 46.19 44.16 3bga s LEU 668 CO 0.08 -0.11 0.09 -0.60 -1.32 0.00 0.00 176.35 174.50 3bga s ARG 669 N 1.57 1.42 0.42 1.98 3.52 0.48 -0.62 118.95 127.72 3bga s ARG 669 Ca 0.17 -1.87 0.08 0.00 -0.13 0.00 0.00 55.73 53.98 3bga s ARG 669 Cb -0.15 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3bga s ARG 669 CO 0.08 -0.98 0.38 1.67 -0.81 0.00 0.00 175.30 175.64 3bga s TRP 670 N 0.82 2.67 0.07 5.12 1.48 -0.50 -2.48 118.94 126.12 3bga s TRP 670 Ca 0.12 -0.51 -0.28 0.00 -1.06 0.00 0.00 56.10 54.38 3bga s TRP 670 Cb -0.20 -2.16 0.09 0.00 -1.16 0.00 0.00 33.47 30.04 3bga s TRP 670 CO -0.09 -0.14 1.11 0.54 -4.06 0.00 0.00 176.95 174.31 3bga s ASN 671 N -4.14 -0.13 -0.06 -2.66 2.20 -0.78 -1.47 114.94 107.91 3bga s ASN 671 Ca 0.48 -0.27 0.01 0.00 -0.94 0.00 0.00 52.86 52.14 3bga s ASN 671 Cb -0.03 0.33 0.02 0.00 -2.00 0.00 0.00 41.25 39.57 3bga s ASN 671 CO 0.28 -0.61 -0.07 -0.69 -2.94 0.00 0.00 177.10 173.07 3bga s VAL 672 N -2.87 0.75 0.02 3.54 1.01 0.80 -0.61 120.40 123.03 3bga s VAL 672 Ca 0.13 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3bga s VAL 672 Cb 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 3bga s VAL 672 CO -0.01 0.28 -0.16 -0.54 0.00 0.00 0.00 175.10 174.67 3bga s LYS 673 N 1.02 1.18 0.86 2.72 1.02 -0.88 0.45 119.74 126.11 3bga s LYS 673 Ca -0.09 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 3bga s LYS 673 Cb -0.14 -1.19 0.11 0.00 -0.52 0.00 0.00 37.83 36.08 3bga s LYS 673 CO -0.00 0.31 1.16 0.20 -0.92 0.00 0.00 175.35 176.10 3bga s GLY 674 N -0.79 1.58 0.65 -3.33 0.00 -0.75 -0.52 107.32 104.16 3bga s GLY 674 Ca 0.05 -0.58 0.41 0.00 0.00 0.00 0.00 44.72 44.60 3bga s GLY 674 CO 0.01 -0.06 2.33 1.05 0.00 0.00 0.00 173.10 176.42 3bga h GLU 675 N -1.27 0.00 -0.00 2.90 4.11 -1.73 0.14 114.58 118.73 3bga h GLU 675 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3bga h GLU 675 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3bga h GLU 675 CO 0.64 0.00 -0.06 -0.40 0.07 0.00 0.00 179.01 179.27 3bga n ASP 676 N -3.23 0.20 0.00 3.06 3.85 -1.26 -4.79 116.55 114.38 3bga n ASP 676 Ca -0.03 -0.31 0.00 0.00 -0.71 0.00 0.00 54.79 53.74 3bga n ASP 676 Cb 0.09 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 3bga n ASP 676 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bga n GLY 677 N 1.29 0.76 3.79 6.12 0.00 0.49 -5.02 105.19 112.63 3bga n GLY 677 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3bga n GLY 677 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bga s THR 678 N -2.03 4.95 -0.40 2.61 -4.23 -1.26 -4.83 115.64 110.44 3bga s THR 678 Ca 0.00 1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 61.27 3bga s THR 678 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3bga s THR 678 CO 0.00 0.50 1.49 -0.69 -0.54 0.00 0.00 174.62 175.38 3bga s VAL 679 N -0.61 3.81 -0.66 2.29 1.01 -1.26 -1.80 120.40 123.17 3bga s VAL 679 Ca 0.27 0.81 0.25 0.00 0.00 0.00 0.00 61.98 63.31 3bga s VAL 679 Cb -0.18 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 32.21 3bga s VAL 679 CO 0.15 -0.71 1.43 -0.07 0.00 0.00 0.00 175.10 175.90 3bga h LEU 680 N 12.57 0.00 -7.00 3.92 3.38 -0.37 -3.48 115.31 124.34 3bga h LEU 680 Ca -0.29 -0.15 0.22 0.00 0.09 0.00 0.00 57.88 57.75 3bga h LEU 680 Cb 1.12 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.62 3bga h LEU 680 CO 1.08 0.08 0.86 0.00 0.09 0.00 0.00 178.44 180.55 3bga s ALA 681 N -3.15 -2.09 0.25 1.53 0.00 -1.13 -4.83 121.76 112.33 3bga s ALA 681 Ca 0.07 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 3bga s ALA 681 Cb 0.13 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3bga s ALA 681 CO 0.69 -0.33 0.64 -1.83 0.00 0.00 0.00 175.76 174.94 3bga s GLU 682 N -1.31 1.63 -0.04 0.00 -1.05 -1.26 -0.14 118.70 116.52 3bga s GLU 682 Ca 0.07 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.64 3bga s GLU 682 Cb -0.01 0.57 0.12 0.00 -0.44 0.00 0.00 34.13 34.37 3bga s GLU 682 CO -0.05 -0.73 1.33 0.20 0.95 0.00 0.00 175.26 176.96 3bga s GLY 683 N -2.91 -0.34 -0.03 -3.83 0.00 -0.54 -4.93 107.32 94.74 3bga s GLY 683 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3bga s GLY 683 CO 0.03 2.32 0.00 -1.59 0.00 0.00 0.00 173.10 173.86 3bga s THR 684 N -2.17 0.15 0.13 0.90 2.01 -1.26 -1.41 115.64 113.98 3bga s THR 684 Ca 0.20 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.34 3bga s THR 684 Cb 0.04 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3bga s THR 684 CO -0.04 0.14 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.39 3bga s LYS 685 N 0.99 0.97 -0.24 4.92 3.01 0.20 -4.99 119.74 124.61 3bga s LYS 685 Ca -0.10 -1.33 0.01 0.00 -1.01 0.00 0.00 55.97 53.54 3bga s LYS 685 Cb -0.13 -0.58 0.06 0.00 -1.01 0.00 0.00 37.83 36.16 3bga s LYS 685 CO -0.02 0.08 -0.07 -1.21 0.51 0.00 0.00 175.35 174.64 3bga s GLU 686 N -3.37 1.81 -0.13 1.68 2.02 -1.26 -1.12 118.70 118.33 3bga s GLU 686 Ca 0.12 -1.07 -0.06 0.00 0.02 0.00 0.00 54.97 53.98 3bga s GLU 686 Cb 0.01 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 3bga s GLU 686 CO 0.00 -0.58 0.09 0.08 0.02 0.00 0.00 175.26 174.87 3bga s VAL 687 N 1.32 5.05 -0.15 2.63 1.01 -1.26 -4.99 120.40 124.00 3bga s VAL 687 Ca -0.06 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3bga s VAL 687 Cb -0.19 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3bga s VAL 687 CO -0.06 0.57 0.22 -1.81 0.00 0.00 0.00 175.10 174.02 3bga s ASP 688 N -0.59 6.38 -0.28 3.32 1.01 -1.26 -0.97 116.67 124.28 3bga s ASP 688 Ca 0.12 0.44 -0.17 0.00 0.71 0.00 0.00 52.55 53.65 3bga s ASP 688 Cb -0.12 -2.14 0.10 0.00 1.01 0.00 0.00 42.92 41.78 3bga s ASP 688 CO 0.02 0.20 0.80 0.00 0.21 0.00 0.00 175.17 176.40 3bga s GLU 690 N 1.44 3.57 0.28 0.00 0.41 -1.26 -2.12 118.70 121.03 3bga s GLU 690 Ca -0.09 1.38 -0.30 0.00 -0.41 0.00 0.00 54.97 55.55 3bga s GLU 690 Cb -0.05 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.12 3bga s GLU 690 CO -0.17 -0.62 1.42 -2.30 -0.49 0.00 0.00 175.26 173.09 3bga n PRO 691 N -1.31 2.22 -0.90 0.39 -0.02 -1.26 -0.95 135.00 133.16 3bga n PRO 691 Ca 0.10 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3bga n PRO 691 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3bga n PRO 691 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3bga n HIS 692 N 1.47 0.00 -3.98 6.00 8.25 0.61 -5.00 115.22 122.56 3bga n HIS 692 Ca 0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 3bga n HIS 692 Cb 0.34 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 3bga n HIS 692 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bga s ALA 693 N -2.19 3.82 0.26 -1.41 0.00 -0.13 -4.85 121.76 117.26 3bga s ALA 693 Ca 0.00 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 50.72 3bga s ALA 693 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3bga s ALA 693 CO 0.00 0.22 -0.01 0.95 0.00 0.00 0.00 175.76 176.92 3bga s THR 694 N -2.06 3.44 -0.14 0.00 -4.23 -1.26 -1.12 115.64 110.26 3bga s THR 694 Ca 0.35 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.78 3bga s THR 694 Cb -0.08 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 70.97 3bga s THR 694 CO 0.28 -0.35 0.49 0.54 -0.54 0.00 0.00 174.62 175.04 3bga s VAL 695 N -2.27 0.01 -0.12 2.29 0.11 0.73 -4.96 120.40 116.18 3bga s VAL 695 Ca 0.31 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 3bga s VAL 695 Cb -0.07 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 3bga s VAL 695 CO 0.20 -0.04 0.24 -1.81 -3.33 0.00 0.00 175.10 170.35 3bga s ASP 696 N -0.19 6.46 -0.17 3.54 1.01 -1.26 -0.21 116.67 125.84 3bga s ASP 696 Ca -0.04 0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.75 3bga s ASP 696 Cb -0.03 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.80 3bga s ASP 696 CO 0.02 0.26 -0.00 -0.69 0.21 0.00 0.00 175.17 174.98 3bga s VAL 697 N -0.36 0.75 -0.11 -1.27 1.01 -0.55 -4.99 120.40 114.88 3bga s VAL 697 Ca 0.16 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 3bga s VAL 697 Cb -0.13 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3bga s VAL 697 CO 0.05 -0.05 0.82 -0.89 0.00 0.00 0.00 175.10 175.03 3bga s THR 698 N 1.77 4.93 -0.12 3.92 2.01 -1.26 -1.87 115.64 125.02 3bga s THR 698 Ca -0.00 1.65 0.16 0.00 0.31 0.00 0.00 61.69 63.80 3bga s THR 698 Cb -0.16 -4.14 -0.24 0.00 0.01 0.00 0.00 72.50 67.97 3bga s THR 698 CO -0.07 0.12 0.37 0.18 -0.69 0.00 0.00 174.62 174.53 3bga n LEU 699 N 4.56 0.42 0.00 4.42 4.77 0.12 -4.97 117.00 126.33 3bga n LEU 699 Ca 0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3bga n LEU 699 Cb 0.50 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3bga n LEU 699 CO 0.48 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3bga n GLY 700 N 1.64 1.85 3.48 -0.72 0.00 0.18 -4.98 105.19 106.64 3bga n GLY 700 Ca -0.24 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 3bga n GLY 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga n ALA 701 N 1.83 -1.29 -3.01 4.61 0.00 -1.23 -4.45 120.51 116.97 3bga n ALA 701 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 3bga n ALA 701 Cb 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 3bga n ALA 701 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bga s VAL 702 N -1.86 0.60 -0.31 0.00 1.01 -1.26 -5.02 120.40 113.55 3bga s VAL 702 Ca 0.67 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 3bga s VAL 702 Cb -0.36 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3bga s VAL 702 CO 0.56 0.19 1.39 -0.54 0.00 0.00 0.00 175.10 176.71 3bga s LYS 703 N 0.17 3.81 -0.25 2.72 -0.14 -1.26 -5.00 119.74 119.78 3bga s LYS 703 Ca -0.02 1.25 -0.10 0.00 -1.36 0.00 0.00 55.97 55.74 3bga s LYS 703 Cb -0.07 -3.95 -0.05 0.00 -1.68 0.00 0.00 37.83 32.09 3bga s LYS 703 CO 0.00 -1.27 0.15 -0.51 -0.76 0.00 0.00 175.35 172.96 3bga s LEU 704 N 4.81 3.95 0.97 3.17 1.43 -1.26 -5.01 118.68 126.74 3bga s LEU 704 Ca 0.60 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3bga s LEU 704 Cb -0.18 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.15 3bga s LEU 704 CO 0.26 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 3bga s PRO 705 N 1.34 0.62 0.00 1.29 0.04 -1.26 -4.90 135.00 132.13 3bga s PRO 705 Ca 0.07 1.03 0.19 0.00 0.04 0.00 0.00 61.00 62.33 3bga s PRO 705 Cb -0.15 -1.72 0.83 0.00 0.04 0.00 0.00 34.50 33.51 3bga s PRO 705 CO 0.06 -2.74 1.58 0.27 0.04 0.00 0.00 177.00 176.21 3bga n ASN 706 N -4.25 1.12 -0.32 6.66 6.94 -1.26 -3.50 115.26 120.65 3bga n ASN 706 Ca 0.07 -1.63 0.13 0.00 -0.02 0.00 0.00 54.58 53.13 3bga n ASN 706 Cb 0.54 -0.07 0.34 0.00 -2.36 0.00 0.00 39.78 38.23 3bga n ASN 706 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3bga n THR 707 N -0.03 0.00 -4.96 5.53 -2.24 -1.26 -4.56 114.28 106.76 3bga n THR 707 Ca 0.15 -0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 3bga n THR 707 Cb 0.24 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 68.85 3bga n THR 707 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3bga s VAL 708 N -2.43 1.56 -0.58 2.28 -7.23 -1.23 -4.59 120.40 108.18 3bga s VAL 708 Ca 0.25 -0.84 0.25 0.00 -1.81 0.00 0.00 61.98 59.83 3bga s VAL 708 Cb 0.19 -1.30 0.28 0.00 0.56 0.00 0.00 36.38 36.12 3bga s VAL 708 CO 0.50 0.44 1.65 0.03 -0.31 0.00 0.00 175.10 177.41 3bga h ARG 709 N 5.67 0.00 -2.25 4.82 3.08 -1.90 0.03 114.38 123.84 3bga h ARG 709 Ca -0.38 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.80 3bga h ARG 709 Cb 1.14 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.06 3bga h ARG 709 CO 0.48 0.00 0.51 -1.83 -1.07 0.00 0.00 179.97 178.06 3bga s GLU 710 N -3.16 0.89 0.22 0.04 -1.05 -1.26 -1.11 118.70 113.26 3bga s GLU 710 Ca 0.08 -0.38 0.02 0.00 -0.15 0.00 0.00 54.97 54.54 3bga s GLU 710 Cb 0.09 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 3bga s GLU 710 CO 0.64 -0.39 0.03 0.00 0.95 0.00 0.00 175.26 176.49 3bga s ALA 711 N -3.12 1.60 -0.07 -0.84 0.00 0.25 -1.87 121.76 117.70 3bga s ALA 711 Ca 0.07 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.31 3bga s ALA 711 Cb -0.01 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3bga s ALA 711 CO -0.06 -0.35 -0.07 0.71 0.00 0.00 0.00 175.76 175.99 3bga s TYR 712 N -3.63 1.09 -0.42 0.00 2.02 0.32 -0.18 117.35 116.55 3bga s TYR 712 Ca 0.30 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.35 3bga s TYR 712 Cb 0.07 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 3bga s TYR 712 CO 0.09 -0.30 0.86 -1.17 -1.57 0.00 0.00 175.55 173.46 3bga s LEU 713 N 1.14 4.09 -0.15 -1.29 2.96 0.70 -2.06 118.68 124.07 3bga s LEU 713 Ca -0.07 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 3bga s LEU 713 Cb -0.14 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3bga s LEU 713 CO -0.01 -0.92 0.08 0.20 -1.32 0.00 0.00 176.35 174.38 3bga s ASN 714 N 2.08 5.83 -0.09 3.68 0.02 0.22 -1.47 114.94 125.21 3bga s ASN 714 Ca 0.34 0.22 0.02 0.00 -1.02 0.00 0.00 52.86 52.42 3bga s ASN 714 Cb -0.11 -1.92 0.01 0.00 0.02 0.00 0.00 41.25 39.25 3bga s ASN 714 CO 0.22 0.28 -0.14 -0.76 0.02 0.00 0.00 177.10 176.72 3bga s LEU 715 N -0.25 1.67 -0.04 0.60 1.43 -0.37 -1.86 118.68 119.85 3bga s LEU 715 Ca 0.09 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3bga s LEU 715 Cb -0.12 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.12 3bga s LEU 715 CO 0.01 0.02 -0.06 -0.55 0.23 0.00 0.00 176.35 176.00 3bga s SER 716 N 0.90 1.00 0.08 2.29 0.15 -1.03 -1.00 113.70 116.08 3bga s SER 716 Ca -0.09 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.49 3bga s SER 716 Cb -0.15 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3bga s SER 716 CO 0.00 -0.02 -0.17 0.26 1.20 0.00 0.00 173.24 174.51 3bga s TRP 717 N 0.72 2.57 0.16 3.44 0.52 -0.01 -0.38 118.94 125.96 3bga s TRP 717 Ca -0.10 -0.24 -0.08 0.00 0.02 0.00 0.00 56.10 55.70 3bga s TRP 717 Cb -0.13 -1.42 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 3bga s TRP 717 CO 0.01 0.33 0.26 -1.54 0.02 0.00 0.00 176.95 176.02 3bga s SER 718 N -1.80 0.07 0.01 2.95 1.04 -0.95 -0.99 113.70 114.04 3bga s SER 718 Ca 0.17 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 55.53 3bga s SER 718 Cb -0.11 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 3bga s SER 718 CO 0.08 -0.88 0.41 0.00 0.98 0.00 0.00 173.24 173.83 3bga s ARG 719 N -3.98 3.90 0.11 4.02 1.70 -1.26 -0.23 118.95 123.20 3bga s ARG 719 Ca 0.19 0.38 -0.17 0.00 -0.47 0.00 0.00 55.73 55.66 3bga s ARG 719 Cb 0.04 -3.18 -0.04 0.00 -0.57 0.00 0.00 34.95 31.19 3bga s ARG 719 CO 0.01 0.67 1.59 0.87 -1.08 0.00 0.00 175.30 177.36 3bga h LYS 720 N 4.55 0.56 -5.28 3.89 1.57 -1.74 -3.41 116.57 116.72 3bga h LYS 720 Ca -0.51 -0.15 -0.63 0.00 -1.87 0.00 0.00 60.65 57.49 3bga h LYS 720 Cb 1.22 -0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.27 3bga h LYS 720 CO 0.62 0.65 -0.61 -1.21 -0.57 0.00 0.00 179.45 178.32 3bga s GLU 721 N -5.18 3.82 0.55 3.15 2.02 -1.26 -4.91 118.70 116.89 3bga s GLU 721 Ca -0.13 -0.43 -0.16 0.00 0.02 0.00 0.00 54.97 54.27 3bga s GLU 721 Cb 0.09 -3.08 -0.06 0.00 0.10 0.00 0.00 34.13 31.18 3bga s GLU 721 CO 0.76 0.24 1.01 0.00 0.02 0.00 0.00 175.26 177.29 3bga s ALA 722 N 0.42 2.97 0.33 5.21 0.00 -1.26 -4.87 121.76 124.55 3bga s ALA 722 Ca -0.00 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.27 3bga s ALA 722 Cb -0.13 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3bga s ALA 722 CO 0.02 -0.44 -0.01 -0.08 0.00 0.00 0.00 175.76 175.24 3bga s THR 723 N -2.62 2.70 -0.96 0.00 -1.32 -0.40 -5.01 115.64 108.02 3bga s THR 723 Ca 0.60 -2.01 0.06 0.00 -1.21 0.00 0.00 61.69 59.13 3bga s THR 723 Cb -0.12 -2.76 0.05 0.00 -1.51 0.00 0.00 72.50 68.17 3bga s THR 723 CO 0.35 -0.24 1.19 -2.65 -2.21 0.00 0.00 174.62 171.06 3bga n PRO 724 N -0.92 0.01 -0.03 7.08 -0.02 -1.26 -2.75 135.00 137.12 3bga n PRO 724 Ca -0.04 0.42 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3bga n PRO 724 Cb 0.62 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 3bga n PRO 724 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3bga n LEU 725 N -1.55 0.00 -3.80 2.45 4.77 -1.26 -4.95 117.00 112.66 3bga n LEU 725 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 3bga n LEU 725 Cb 0.06 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 3bga n LEU 725 CO 0.05 0.14 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.17 3bga s VAL 726 N -2.48 0.79 0.90 4.08 1.01 -1.11 -4.90 120.40 118.69 3bga s VAL 726 Ca -0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3bga s VAL 726 Cb 0.05 -1.18 0.21 0.00 0.00 0.00 0.00 36.38 35.46 3bga s VAL 726 CO 0.43 -0.10 1.23 -0.90 0.00 0.00 0.00 175.10 175.76 3bga n ASP 727 N 4.96 0.12 0.00 3.32 5.68 -1.26 -1.28 116.55 128.09 3bga n ASP 727 Ca -0.10 -1.46 0.09 0.00 -0.50 0.00 0.00 54.79 52.83 3bga n ASP 727 Cb 0.47 -0.93 0.48 0.00 -1.14 0.00 0.00 41.12 39.99 3bga n ASP 727 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bga n THR 728 N -3.68 0.43 0.07 2.12 -2.24 -1.26 -2.93 114.28 106.78 3bga n THR 728 Ca 0.15 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 3bga n THR 728 Cb 0.54 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 3bga n THR 728 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bga n ASP 729 N -1.29 0.75 -4.73 3.42 8.00 -1.26 -4.50 116.55 116.94 3bga n ASP 729 Ca 0.09 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 3bga n ASP 729 Cb 0.15 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 3bga n ASP 729 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3bga s TRP 730 N -3.25 3.08 -0.36 1.24 -0.11 -1.15 -4.96 118.94 113.42 3bga s TRP 730 Ca -0.02 0.84 -0.27 0.00 1.22 0.00 0.00 56.10 57.88 3bga s TRP 730 Cb 0.10 -3.84 0.02 0.00 -1.50 0.00 0.00 33.47 28.24 3bga s TRP 730 CO 0.81 -2.94 0.96 -2.00 -4.62 0.00 0.00 176.95 169.16 3bga s GLU 731 N 0.52 3.89 0.18 5.86 2.12 -1.26 -4.39 118.70 125.62 3bga s GLU 731 Ca 0.65 0.68 0.20 0.00 0.36 0.00 0.00 54.97 56.86 3bga s GLU 731 Cb -0.42 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 3bga s GLU 731 CO 0.36 -0.94 1.06 -0.39 -0.54 0.00 0.00 175.26 174.80 3bga h VAL 732 N 5.81 0.28 -2.39 3.70 -1.51 -1.43 -3.48 116.25 117.23 3bga h VAL 732 Ca -0.23 -1.50 -0.02 0.00 -1.23 0.00 0.00 66.70 63.73 3bga h VAL 732 Cb 1.07 1.84 -0.16 0.00 -2.13 0.00 0.00 31.29 31.91 3bga h VAL 732 CO 0.99 0.16 0.25 0.00 -1.23 0.00 0.00 177.57 177.74 3bga s ALA 733 N -3.14 -1.72 0.20 5.19 0.00 -1.23 -4.62 121.76 116.44 3bga s ALA 733 Ca -0.00 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 3bga s ALA 733 Cb 0.09 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.60 3bga s ALA 733 CO 0.78 -0.55 0.63 1.52 0.00 0.00 0.00 175.76 178.14 3bga s TYR 734 N -2.38 -0.41 0.15 0.00 -0.85 -1.26 -0.83 117.35 111.77 3bga s TYR 734 Ca -0.04 0.12 -0.16 0.00 -0.52 0.00 0.00 57.07 56.47 3bga s TYR 734 Cb -0.01 0.59 0.03 0.00 0.38 0.00 0.00 41.96 42.95 3bga s TYR 734 CO -0.02 -0.97 0.44 -0.51 -1.52 0.00 0.00 175.55 172.97 3bga s ASP 735 N -2.81 -0.22 -0.09 -0.18 1.01 -0.17 -4.96 116.67 109.26 3bga s ASP 735 Ca 0.04 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.77 3bga s ASP 735 Cb -0.02 0.51 0.03 0.00 1.01 0.00 0.00 42.92 44.44 3bga s ASP 735 CO -0.07 -0.93 0.28 -1.58 0.21 0.00 0.00 175.17 173.09 3bga s GLN 736 N -3.84 0.41 -0.03 8.23 0.74 -1.26 -1.24 119.66 122.67 3bga s GLN 736 Ca 0.06 0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.74 3bga s GLN 736 Cb 0.01 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.32 3bga s GLN 736 CO -0.08 -0.07 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.46 3bga s PHE 737 N -0.20 0.84 -0.27 1.67 0.08 -0.54 -4.97 117.98 114.58 3bga s PHE 737 Ca -0.03 -0.21 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 3bga s PHE 737 Cb -0.03 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 3bga s PHE 737 CO 0.01 -0.10 0.55 0.08 -0.10 0.00 0.00 175.22 175.66 3bga s VAL 738 N 0.29 5.03 -0.23 -0.44 1.01 -1.26 -0.21 120.40 124.59 3bga s VAL 738 Ca -0.04 0.91 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 3bga s VAL 738 Cb -0.09 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3bga s VAL 738 CO 0.00 0.04 0.15 -0.76 0.00 0.00 0.00 175.10 174.53 3bga s LEU 739 N 2.39 4.11 0.29 3.92 1.43 0.75 -4.97 118.68 126.59 3bga s LEU 739 Ca 0.23 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 3bga s LEU 739 Cb -0.15 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 3bga s LEU 739 CO 0.09 0.08 1.38 0.00 0.23 0.00 0.00 176.35 178.13 3bga s ALA 740 N 0.95 3.56 0.00 4.21 0.00 -1.26 -0.59 121.76 128.63 3bga s ALA 740 Ca 0.07 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3bga s ALA 740 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3bga s ALA 740 CO 0.03 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3bga n GLY 741 N 1.45 3.10 3.38 0.00 0.00 -0.27 -4.79 105.19 108.05 3bga n GLY 741 Ca 0.03 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 3bga n GLY 741 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 742 N 1.00 6.36 0.56 1.61 3.84 -0.00 -4.86 114.94 123.45 3bga s ASN 742 Ca 0.00 -1.78 0.37 0.00 0.21 0.00 0.00 52.86 51.66 3bga s ASN 742 Cb 0.00 -2.30 2.01 0.00 -0.55 0.00 0.00 41.25 40.41 3bga s ASN 742 CO 0.00 -1.00 2.13 0.07 -2.79 0.00 0.00 177.10 175.51 3bga h LYS 743 N 8.86 0.00 0.00 0.43 2.10 -1.84 -2.81 116.57 123.30 3bga h LYS 743 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 3bga h LYS 743 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3bga h LYS 743 CO 1.04 0.00 -1.18 0.09 -2.00 0.00 0.00 179.45 177.39 3bga n ASN 744 N -2.82 0.63 -4.73 7.07 5.03 -1.26 -4.96 115.26 114.22 3bga n ASN 744 Ca -0.02 0.16 -0.36 0.00 0.87 0.00 0.00 54.58 55.23 3bga n ASN 744 Cb 0.08 0.80 0.07 0.00 -1.02 0.00 0.00 39.78 39.71 3bga n ASN 744 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3bga s THR 745 N -3.36 2.22 -0.02 3.41 -1.32 -1.06 -4.94 115.64 110.56 3bga s THR 745 Ca -0.01 0.13 0.12 0.00 -1.21 0.00 0.00 61.69 60.72 3bga s THR 745 Cb 0.11 -2.94 0.21 0.00 -1.51 0.00 0.00 72.50 68.38 3bga s THR 745 CO 0.81 -0.04 1.09 0.35 -2.21 0.00 0.00 174.62 174.62 3bga n THR 746 N -2.11 0.27 0.48 5.08 -2.24 -1.26 -4.84 114.28 109.66 3bga n THR 746 Ca 0.15 -0.75 0.05 0.00 -2.27 0.00 0.00 64.05 61.23 3bga n THR 746 Cb 0.49 0.60 0.26 0.00 -2.10 0.00 0.00 70.33 69.58 3bga n THR 746 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga n ALA 747 N 0.02 1.64 0.04 6.98 0.00 -1.26 -2.39 120.51 125.54 3bga n ALA 747 Ca 0.05 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 3bga n ALA 747 Cb 0.87 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 3bga n ALA 747 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3bga h TYR 748 N 0.00 0.59 -2.53 0.00 -0.00 -1.88 -3.47 116.97 109.68 3bga h TYR 748 Ca 0.00 -0.43 -0.60 0.00 0.00 0.00 0.00 58.73 57.69 3bga h TYR 748 Cb 0.11 -0.02 0.12 0.00 0.00 0.00 0.00 36.73 36.94 3bga h TYR 748 CO 0.00 1.68 -0.01 0.54 -0.00 0.00 0.00 178.16 180.37 3bga n ARG 749 N -3.65 1.11 -1.97 0.10 1.74 -1.01 -4.96 116.66 108.02 3bga n ARG 749 Ca -0.27 0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 3bga n ARG 749 Cb 1.03 -1.78 0.01 0.00 -1.02 0.00 0.00 32.46 30.69 3bga n ARG 749 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bga s PRO 750 N -1.66 3.58 0.63 5.56 0.04 -1.26 -5.06 135.00 136.82 3bga s PRO 750 Ca 0.61 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 3bga s PRO 750 Cb -0.65 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 3bga s PRO 750 CO 0.58 -0.53 1.04 1.14 0.04 0.00 0.00 177.00 179.27 3bga s GLN 751 N -5.13 3.43 0.21 4.56 -2.07 -1.26 -4.98 119.66 114.42 3bga s GLN 751 Ca 0.54 0.86 -0.32 0.00 -1.82 0.00 0.00 55.36 54.62 3bga s GLN 751 Cb -0.11 -2.06 -0.12 0.00 -1.09 0.00 0.00 33.01 29.63 3bga s GLN 751 CO 0.53 -0.70 1.68 1.17 -1.32 0.00 0.00 175.29 176.65 3bga n LYS 752 N -2.68 2.64 0.06 9.60 4.81 -1.26 -4.90 118.16 126.43 3bga n LYS 752 Ca 0.07 0.95 0.11 0.00 -0.87 0.00 0.00 58.31 58.57 3bga n LYS 752 Cb 0.54 -2.77 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 3bga n LYS 752 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bga n ALA 753 N 3.67 2.69 0.00 3.14 0.00 -1.26 -5.04 120.51 123.71 3bga n ALA 753 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3bga n ALA 753 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3bga n ALA 753 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 754 N 1.22 -0.44 3.66 0.00 0.00 -1.26 -4.91 105.19 103.46 3bga n GLY 754 Ca -0.01 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3bga n GLY 754 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bga s GLU 755 N -2.00 4.25 -0.11 1.61 8.01 -1.26 -4.83 118.70 124.37 3bga s GLU 755 Ca 0.00 0.85 -0.04 0.00 0.01 0.00 0.00 54.97 55.80 3bga s GLU 755 Cb 0.00 -3.59 -0.03 0.00 -4.31 0.00 0.00 34.13 26.20 3bga s GLU 755 CO 0.00 -0.33 0.03 0.99 0.01 0.00 0.00 175.26 175.96 3bga s THR 756 N 2.18 4.53 0.04 3.63 2.01 -1.26 0.27 115.64 127.04 3bga s THR 756 Ca 0.34 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3bga s THR 756 Cb -0.16 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3bga s THR 756 CO 0.11 0.58 -0.04 0.00 -0.69 0.00 0.00 174.62 174.57 3bga s ALA 757 N -0.60 0.41 0.00 7.40 0.00 -0.73 -4.98 121.76 123.25 3bga s ALA 757 Ca 0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3bga s ALA 757 Cb -0.12 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3bga s ALA 757 CO 0.02 -0.23 0.09 -0.59 0.00 0.00 0.00 175.76 175.05 3bga s PHE 758 N -2.60 0.08 -0.01 0.00 -0.12 -1.26 -0.44 117.98 113.62 3bga s PHE 758 Ca -0.04 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 3bga s PHE 758 Cb -0.02 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 3bga s PHE 758 CO -0.05 -0.23 -0.25 0.08 -0.05 0.00 0.00 175.22 174.72 3bga s VAL 759 N -1.21 1.97 -0.14 -2.49 1.01 -0.26 -4.97 120.40 114.31 3bga s VAL 759 Ca -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 3bga s VAL 759 Cb -0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3bga s VAL 759 CO 0.01 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 3bga s VAL 760 N -0.60 3.75 0.00 2.92 1.01 -1.26 -1.97 120.40 124.26 3bga s VAL 760 Ca 0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3bga s VAL 760 Cb -0.10 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3bga s VAL 760 CO -0.01 0.52 1.48 -0.62 0.00 0.00 0.00 175.10 176.47 3bga s ASP 761 N 0.13 6.78 0.52 3.32 2.15 -0.42 -4.88 116.67 124.26 3bga s ASP 761 Ca -0.02 2.18 0.33 0.00 0.43 0.00 0.00 52.55 55.48 3bga s ASP 761 Cb -0.14 -2.56 1.40 0.00 -0.30 0.00 0.00 42.92 41.32 3bga s ASP 761 CO 0.03 -0.78 1.98 0.11 -0.17 0.00 0.00 175.17 176.34 3bga h LYS 762 N 8.15 0.00 0.01 4.34 1.57 -1.96 0.17 116.57 128.85 3bga h LYS 762 Ca -0.38 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.02 3bga h LYS 762 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.43 3bga h LYS 762 CO 0.92 0.00 -2.35 0.09 -0.57 0.00 0.00 179.45 177.54 3bga n ASN 763 N -2.97 1.17 -0.01 0.86 4.13 -1.26 -4.60 115.26 112.58 3bga n ASN 763 Ca 0.01 -0.02 0.07 0.00 1.68 0.00 0.00 54.58 56.32 3bga n ASN 763 Cb 0.28 0.10 -0.13 0.00 -1.54 0.00 0.00 39.78 38.48 3bga n ASN 763 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3bga n THR 764 N -3.07 0.10 -0.92 3.41 -2.24 -1.24 -2.04 114.28 108.28 3bga n THR 764 Ca -0.38 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3bga n THR 764 Cb 1.06 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3bga n THR 764 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bga n GLY 765 N 1.56 0.66 3.85 3.38 0.00 0.59 -4.35 105.19 110.87 3bga n GLY 765 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3bga n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 766 N -2.86 3.11 -0.62 4.61 0.00 -1.26 -4.67 121.76 120.08 3bga s ALA 766 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3bga s ALA 766 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3bga s ALA 766 CO 0.00 -0.17 1.59 -1.17 0.00 0.00 0.00 175.76 176.00 3bga s LEU 767 N -3.97 3.29 0.24 0.00 1.98 -1.07 -1.31 118.68 117.83 3bga s LEU 767 Ca 0.58 0.14 0.23 0.00 -2.89 0.00 0.00 54.13 52.19 3bga s LEU 767 Cb -0.10 -2.70 0.20 0.00 0.66 0.00 0.00 46.19 44.25 3bga s LEU 767 CO 0.30 -2.04 1.27 0.77 -1.89 0.00 0.00 176.35 174.77 3bga h SER 768 N 12.54 0.00 -4.12 3.68 4.64 -1.71 0.86 113.55 129.45 3bga h SER 768 Ca -0.27 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 60.86 3bga h SER 768 Cb 1.11 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.97 3bga h SER 768 CO 1.22 0.03 -0.33 -0.55 -0.87 0.00 0.00 176.83 176.32 3bga s SER 769 N -5.23 -0.29 -0.18 4.97 0.15 -1.05 -4.66 113.70 107.41 3bga s SER 769 Ca 0.03 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.15 3bga s SER 769 Cb 0.10 0.57 0.09 0.00 -1.71 0.00 0.00 66.02 65.06 3bga s SER 769 CO 0.74 -0.19 0.24 -0.22 1.20 0.00 0.00 173.24 175.01 3bga s LEU 770 N -0.18 -0.21 0.26 3.45 2.96 -1.26 -1.11 118.68 122.59 3bga s LEU 770 Ca -0.03 0.10 0.12 0.00 -0.22 0.00 0.00 54.13 54.10 3bga s LEU 770 Cb -0.03 0.53 -0.05 0.00 0.50 0.00 0.00 46.19 47.15 3bga s LEU 770 CO 0.01 -0.29 -0.21 0.42 -1.32 0.00 0.00 176.35 174.96 3bga s THR 771 N 2.37 2.47 -0.29 3.68 -4.23 0.41 -1.15 115.64 118.91 3bga s THR 771 Ca 0.06 -2.30 -0.00 0.00 -1.18 0.00 0.00 61.69 58.26 3bga s THR 771 Cb -0.14 -2.27 0.09 0.00 1.34 0.00 0.00 72.50 71.52 3bga s THR 771 CO -0.11 -0.33 0.07 -0.22 -0.54 0.00 0.00 174.62 173.49 3bga s LEU 772 N -3.30 2.45 -1.37 4.79 2.96 -0.62 -1.78 118.68 121.80 3bga s LEU 772 Ca 0.28 -1.54 -0.06 0.00 -0.22 0.00 0.00 54.13 52.58 3bga s LEU 772 Cb -0.06 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3bga s LEU 772 CO 0.14 -0.37 0.84 0.47 -1.32 0.00 0.00 176.35 176.11 3bga n ASP 773 N 4.78 -6.01 0.00 3.68 8.00 0.14 -2.55 116.55 124.59 3bga n ASP 773 Ca -0.03 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3bga n ASP 773 Cb 0.43 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 3bga n ASP 773 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 774 N -1.70 3.04 3.71 0.44 0.00 -1.26 -5.03 105.19 104.38 3bga n GLY 774 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3bga n GLY 774 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 775 N -0.28 4.41 0.17 1.61 2.20 -1.06 -4.93 119.74 121.86 3bga s LYS 775 Ca 0.00 1.79 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 3bga s LYS 775 Cb 0.00 -3.38 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 3bga s LYS 775 CO 0.00 -0.31 1.07 -2.00 -0.36 0.00 0.00 175.35 173.75 3bga s GLU 776 N 1.27 4.63 -0.03 4.03 2.56 -1.26 -1.59 118.70 128.30 3bga s GLU 776 Ca 0.59 1.66 0.16 0.00 0.00 0.00 0.00 54.97 57.38 3bga s GLU 776 Cb -0.29 -3.30 -0.25 0.00 2.00 0.00 0.00 34.13 32.29 3bga s GLU 776 CO 0.28 0.12 0.33 1.28 -0.56 0.00 0.00 175.26 176.71 3bga n LEU 777 N 2.40 0.00 -4.86 2.70 4.77 -0.30 -4.98 117.00 116.73 3bga n LEU 777 Ca 0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 3bga n LEU 777 Cb 0.47 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3bga n LEU 777 CO 0.53 0.03 0.06 -0.76 -1.33 0.00 0.00 177.39 175.93 3bga s LEU 778 N -4.22 4.37 -0.00 2.23 1.43 -1.26 -4.66 118.68 116.57 3bga s LEU 778 Ca -0.06 0.79 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 3bga s LEU 778 Cb 0.10 -2.86 -0.11 0.00 0.03 0.00 0.00 46.19 43.35 3bga s LEU 778 CO 0.67 0.21 0.36 0.00 0.23 0.00 0.00 176.35 177.82 3bga n ALA 779 N 1.12 3.05 -3.41 4.21 0.00 0.37 -4.94 120.51 120.90 3bga n ALA 779 Ca -0.10 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 3bga n ALA 779 Cb 0.52 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 3bga n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bga s ALA 780 N -2.03 -1.35 0.62 0.00 0.00 -1.08 -4.88 121.76 113.04 3bga s ALA 780 Ca 0.02 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 3bga s ALA 780 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3bga s ALA 780 CO 0.39 -0.30 1.13 -1.25 0.00 0.00 0.00 175.76 175.72 3bga s PRO 781 N -0.81 2.97 -0.13 0.00 0.04 -1.26 -3.53 135.00 132.29 3bga s PRO 781 Ca -0.09 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 3bga s PRO 781 Cb -0.03 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3bga s PRO 781 CO 0.06 -1.14 1.11 0.42 0.04 0.00 0.00 177.00 177.49 3bga s ILE 782 N -2.09 4.53 0.23 0.56 1.01 0.30 -4.35 121.20 121.40 3bga s ILE 782 Ca 0.70 1.83 0.01 0.00 0.00 0.00 0.00 60.65 63.19 3bga s ILE 782 Cb -0.23 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 3bga s ILE 782 CO 0.36 -0.06 0.07 0.42 0.00 0.00 0.00 174.94 175.74 3bga s THR 783 N 2.54 0.57 0.05 2.92 -4.23 -0.09 -2.59 115.64 114.81 3bga s THR 783 Ca 0.51 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 3bga s THR 783 Cb -0.20 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 3bga s THR 783 CO 0.16 -0.12 1.06 -0.22 -0.54 0.00 0.00 174.62 174.96 3bga s LEU 784 N -3.27 4.40 -0.10 4.79 2.96 -1.26 -1.03 118.68 125.16 3bga s LEU 784 Ca 0.34 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 56.13 3bga s LEU 784 Cb 0.07 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3bga s LEU 784 CO 0.11 -0.30 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.06 3bga s SER 785 N 0.77 3.06 0.00 3.68 0.15 -0.06 -4.87 113.70 116.43 3bga s SER 785 Ca 0.53 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3bga s SER 785 Cb -0.25 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 3bga s SER 785 CO 0.29 0.15 0.09 0.18 1.20 0.00 0.00 173.24 175.15 3bga n LEU 786 N 3.60 0.18 -4.70 3.45 4.77 -1.26 -2.66 117.00 120.38 3bga n LEU 786 Ca -0.19 -0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 3bga n LEU 786 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3bga n LEU 786 CO 0.28 0.04 -0.24 0.12 -1.33 0.00 0.00 177.39 176.26 3bga s PHE 787 N -0.47 2.70 -0.11 -1.77 5.36 -1.26 -1.27 117.98 121.16 3bga s PHE 787 Ca 0.00 -0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 55.57 3bga s PHE 787 Cb 0.00 -1.50 0.05 0.00 -0.34 0.00 0.00 43.02 41.22 3bga s PHE 787 CO 0.00 0.43 0.27 -0.98 -1.46 0.00 0.00 175.22 173.48 3bga s ARG 788 N -3.79 0.24 -0.36 10.12 1.70 -1.26 -4.77 118.95 120.83 3bga s ARG 788 Ca 0.36 0.54 -0.39 0.00 -0.47 0.00 0.00 55.73 55.77 3bga s ARG 788 Cb -0.03 -0.09 -0.14 0.00 -0.57 0.00 0.00 34.95 34.12 3bga s ARG 788 CO 0.22 -0.15 2.03 -2.30 -1.08 0.00 0.00 175.30 174.01 3bga n PRO 789 N 4.12 0.89 -1.63 3.89 -0.02 -1.26 -4.73 135.00 136.25 3bga n PRO 789 Ca -0.24 0.28 -0.56 0.00 -2.02 0.00 0.00 63.50 60.96 3bga n PRO 789 Cb 0.54 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3bga n PRO 789 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bga n ALA 790 N 7.87 -1.06 -1.72 3.55 0.00 -1.26 -1.92 120.51 125.97 3bga n ALA 790 Ca 0.39 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 54.02 3bga n ALA 790 Cb 0.14 -2.08 0.13 0.00 0.00 0.00 0.00 19.45 17.64 3bga n ALA 790 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bga s THR 791 N 1.59 1.98 0.31 0.00 -4.23 -1.26 -4.41 115.64 109.62 3bga s THR 791 Ca 0.91 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3bga s THR 791 Cb -1.07 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 70.07 3bga s THR 791 CO 0.56 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.96 3bga h ASP 792 N -1.38 0.70 -0.39 3.99 3.32 -1.92 -2.07 116.42 118.67 3bga h ASP 792 Ca -0.48 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 3bga h ASP 792 Cb 1.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3bga h ASP 792 CO 0.59 0.67 -0.11 0.78 -1.72 0.00 0.00 179.24 179.46 3bga h ASN 793 N 0.74 0.82 -0.49 6.45 2.35 -1.87 -2.72 115.58 120.87 3bga h ASN 793 Ca 0.17 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3bga h ASN 793 Cb 0.23 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3bga h ASN 793 CO -0.01 0.95 0.32 0.44 -1.65 0.00 0.00 177.43 177.49 3bga h ASP 794 N 0.75 0.46 0.64 5.81 3.32 -1.67 0.35 116.42 126.08 3bga h ASP 794 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3bga h ASP 794 Cb 0.61 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3bga h ASP 794 CO 0.04 0.32 0.00 0.59 -1.72 0.00 0.00 179.24 178.47 3bga n ASN 795 N -4.47 0.50 0.00 6.45 5.03 -1.03 -0.64 115.26 121.09 3bga n ASN 795 Ca 0.05 0.63 0.00 0.00 0.87 0.00 0.00 54.58 56.13 3bga n ASN 795 Cb 0.15 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 3bga n ASN 795 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3bga n ARG 796 N -2.05 5.31 -2.14 3.52 1.74 -0.40 -4.80 116.66 117.85 3bga n ARG 796 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3bga n ARG 796 Cb 0.21 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.22 3bga n ARG 796 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bga s ASP 797 N -0.78 6.80 0.56 0.55 -1.08 0.11 -4.88 116.67 117.94 3bga s ASP 797 Ca 0.00 2.39 0.26 0.00 -0.52 0.00 0.00 52.55 54.69 3bga s ASP 797 Cb 0.00 -2.59 1.48 0.00 -1.46 0.00 0.00 42.92 40.35 3bga s ASP 797 CO 0.00 -0.66 2.03 -0.09 0.52 0.00 0.00 175.17 176.97 3bga h ARG 798 N 6.45 0.00 -0.33 4.34 2.43 -1.90 0.12 114.38 125.50 3bga h ARG 798 Ca -0.43 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.59 3bga h ARG 798 Cb 1.21 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 3bga h ARG 798 CO 0.85 0.00 -0.08 0.09 -1.51 0.00 0.00 179.97 179.32 3bga n ASN 799 N -4.10 2.59 0.00 -3.80 4.13 -1.26 -4.84 115.26 107.98 3bga n ASN 799 Ca 0.06 -3.69 0.00 0.00 1.68 0.00 0.00 54.58 52.63 3bga n ASN 799 Cb 0.48 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 3bga n ASN 799 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bga n GLY 800 N -1.07 2.45 0.40 7.41 0.00 0.43 -4.92 105.19 109.89 3bga n GLY 800 Ca 0.31 -1.77 0.21 0.00 0.00 0.00 0.00 46.02 44.77 3bga n GLY 800 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga h ALA 801 N -0.67 2.50 -0.81 4.61 0.00 -1.12 -2.11 119.26 121.67 3bga h ALA 801 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3bga h ALA 801 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3bga h ALA 801 CO 0.00 -0.68 0.50 -0.09 0.00 0.00 0.00 179.25 178.98 3bga h ARG 802 N 0.07 0.88 0.04 0.00 2.43 -1.84 0.13 114.38 116.10 3bga h ARG 802 Ca 0.30 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 59.19 3bga h ARG 802 Cb 1.11 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3bga h ARG 802 CO -0.02 0.59 -1.02 -0.07 -1.51 0.00 0.00 179.97 177.93 3bga h LEU 803 N 0.91 0.30 -0.42 3.80 4.07 -1.71 -2.25 115.31 120.00 3bga h LEU 803 Ca 0.35 -0.28 -0.14 0.00 0.08 0.00 0.00 57.88 57.89 3bga h LEU 803 Cb 0.16 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3bga h LEU 803 CO -0.17 1.14 -0.30 -0.50 -1.08 0.00 0.00 178.44 177.53 3bga h TRP 804 N 0.09 1.12 0.00 1.13 6.55 -1.14 -2.07 115.95 121.63 3bga h TRP 804 Ca -0.07 -0.31 -0.14 0.00 0.95 0.00 0.00 58.89 59.33 3bga h TRP 804 Cb 1.70 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 29.73 3bga h TRP 804 CO 0.04 1.13 -0.66 0.00 -1.05 0.00 0.00 178.44 177.90 3bga h ARG 805 N 0.78 0.00 -0.29 0.49 3.08 -0.81 0.30 114.38 117.93 3bga h ARG 805 Ca 0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3bga h ARG 805 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3bga h ARG 805 CO 0.08 0.66 -0.41 -0.22 -1.07 0.00 0.00 179.97 179.01 3bga h LYS 806 N 0.00 0.72 0.00 0.04 3.64 -1.31 -2.22 116.57 117.43 3bga h LYS 806 Ca -0.01 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3bga h LYS 806 Cb 1.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3bga h LYS 806 CO 0.09 0.99 0.00 0.00 -2.27 0.00 0.00 179.45 178.26 3bga n ALA 807 N -2.52 2.14 -1.79 5.00 0.00 -0.79 -4.90 120.51 117.65 3bga n ALA 807 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3bga n ALA 807 Cb 0.54 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3bga n ALA 807 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 808 N 1.04 0.35 0.00 0.00 0.00 -0.83 -4.77 105.19 100.98 3bga n GLY 808 Ca 0.05 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.37 3bga n GLY 808 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bga n LEU 809 N -0.65 0.00 -0.49 0.99 4.77 0.03 -1.70 117.00 119.96 3bga n LEU 809 Ca -0.05 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 3bga n LEU 809 Cb 0.42 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3bga n LEU 809 CO 0.07 -0.36 0.41 -0.46 -1.33 0.00 0.00 177.39 175.72 3bga n ASN 810 N -1.48 1.90 -3.09 -1.43 6.94 -1.26 -4.07 115.26 112.76 3bga n ASN 810 Ca 0.02 -1.43 -0.24 0.00 -0.02 0.00 0.00 54.58 52.91 3bga n ASN 810 Cb 0.09 0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.83 3bga n ASN 810 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3bga n ASN 811 N -0.03 2.94 -4.86 0.53 3.02 -0.69 -5.06 115.26 111.11 3bga n ASN 811 Ca 0.10 -3.37 -0.32 0.00 -0.03 0.00 0.00 54.58 50.96 3bga n ASN 811 Cb 0.45 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 3bga n ASN 811 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bga s LEU 812 N -2.87 3.99 -0.08 3.41 1.43 -1.25 -1.60 118.68 121.72 3bga s LEU 812 Ca 0.44 1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.66 3bga s LEU 812 Cb 0.28 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3bga s LEU 812 CO -0.10 -0.26 0.23 0.42 0.23 0.00 0.00 176.35 176.86 3bga s THR 813 N -2.10 0.01 -0.15 5.49 -4.23 0.12 -4.97 115.64 109.80 3bga s THR 813 Ca 0.53 -0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3bga s THR 813 Cb -0.10 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 3bga s THR 813 CO 0.22 -0.05 0.00 -1.10 -0.54 0.00 0.00 174.62 173.16 3bga s GLN 814 N -0.08 3.63 -0.20 3.99 -0.21 -1.26 -0.06 119.66 125.46 3bga s GLN 814 Ca -0.02 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3bga s GLN 814 Cb -0.02 -2.99 0.05 0.00 1.00 0.00 0.00 33.01 31.05 3bga s GLN 814 CO 0.01 0.35 -0.06 0.21 -2.12 0.00 0.00 175.29 173.68 3bga s LYS 815 N 0.09 1.56 0.39 2.91 2.20 -0.01 -4.08 119.74 122.81 3bga s LYS 815 Ca 0.02 -0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.63 3bga s LYS 815 Cb -0.13 -2.30 -0.09 0.00 -1.51 0.00 0.00 37.83 33.80 3bga s LYS 815 CO 0.02 -0.50 1.28 0.14 -0.36 0.00 0.00 175.35 175.92 3bga s VAL 816 N 1.52 2.73 0.00 4.02 -7.23 -0.87 0.39 120.40 120.96 3bga s VAL 816 Ca -0.02 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 3bga s VAL 816 Cb -0.17 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3bga s VAL 816 CO -0.07 0.10 0.01 0.55 -0.31 0.00 0.00 175.10 175.38 3bga n VAL 817 N 0.23 0.00 -3.64 1.32 3.14 0.07 -4.87 118.33 114.57 3bga n VAL 817 Ca 0.03 -0.26 -0.06 0.00 -2.96 0.00 0.00 64.34 61.09 3bga n VAL 817 Cb 0.44 1.01 -0.07 0.00 -1.06 0.00 0.00 33.84 34.16 3bga n VAL 817 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3bga s SER 818 N -0.51 -0.92 -0.19 6.55 0.15 -0.86 -4.97 113.70 112.95 3bga s SER 818 Ca 0.00 1.44 -0.04 0.00 0.70 0.00 0.00 55.95 58.05 3bga s SER 818 Cb 0.00 1.46 0.09 0.00 -1.71 0.00 0.00 66.02 65.86 3bga s SER 818 CO 0.00 -0.22 0.20 -0.22 1.20 0.00 0.00 173.24 174.20 3bga s LEU 819 N 1.74 -0.07 -0.26 3.45 2.96 -1.26 -0.69 118.68 124.56 3bga s LEU 819 Ca -0.09 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3bga s LEU 819 Cb -0.06 0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.98 3bga s LEU 819 CO -0.19 -0.32 -0.03 -0.75 -1.32 0.00 0.00 176.35 173.73 3bga s LYS 820 N 2.31 2.84 0.35 1.98 2.36 0.38 -5.00 119.74 124.96 3bga s LYS 820 Ca 0.06 -0.98 0.04 0.00 -2.55 0.00 0.00 55.97 52.54 3bga s LYS 820 Cb -0.15 -3.06 -0.01 0.00 -1.05 0.00 0.00 37.83 33.55 3bga s LYS 820 CO -0.11 -0.42 0.51 -2.00 1.55 0.00 0.00 175.35 174.87 3bga s GLU 821 N 1.35 3.21 0.27 4.03 2.56 -1.26 -0.26 118.70 128.60 3bga s GLU 821 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.97 54.23 3bga s GLU 821 Cb -0.17 -2.75 0.00 0.00 2.00 0.00 0.00 34.13 33.21 3bga s GLU 821 CO -0.03 0.06 0.35 0.39 -0.56 0.00 0.00 175.26 175.47 3bga n GLU 822 N -1.73 0.50 -0.15 4.30 -0.58 0.20 -4.92 120.64 118.26 3bga n GLU 822 Ca -0.02 -2.25 -0.11 0.00 -0.42 0.00 0.00 57.16 54.37 3bga n GLU 822 Cb 0.58 2.09 -0.01 0.00 -0.57 0.00 0.00 31.44 33.53 3bga n GLU 822 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3bga h LYS 823 N 0.00 0.84 0.00 3.49 3.11 -2.01 -3.36 116.57 118.64 3bga h LYS 823 Ca -0.20 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 3bga h LYS 823 Cb 0.92 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 3bga h LYS 823 CO 0.28 0.93 0.00 0.25 -2.81 0.00 0.00 179.45 178.10 3bga n THR 824 N -4.31 0.32 -4.16 1.00 -2.24 -1.26 -5.08 114.28 98.55 3bga n THR 824 Ca -0.00 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 3bga n THR 824 Cb 0.35 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 3bga n THR 824 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bga s SER 825 N -0.32 0.77 -0.28 3.42 1.04 -1.26 -0.09 113.70 116.98 3bga s SER 825 Ca 0.00 -1.46 -0.19 0.00 0.48 0.00 0.00 55.95 54.78 3bga s SER 825 Cb 0.00 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.76 3bga s SER 825 CO 0.00 -1.08 0.81 0.00 0.98 0.00 0.00 173.24 173.95 3bga s ALA 826 N -3.62 -1.96 -0.05 5.32 0.00 0.74 -0.63 121.76 121.56 3bga s ALA 826 Ca 0.35 2.23 0.03 0.00 0.00 0.00 0.00 51.96 54.56 3bga s ALA 826 Cb 0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3bga s ALA 826 CO 0.18 -0.35 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 3bga s THR 827 N 1.14 3.38 -0.15 0.00 2.01 0.64 -0.91 115.64 121.76 3bga s THR 827 Ca -0.06 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 3bga s THR 827 Cb -0.05 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.13 3bga s THR 827 CO -0.13 0.56 0.41 0.54 -0.69 0.00 0.00 174.62 175.30 3bga s VAL 828 N -0.81 0.00 -0.16 3.82 0.11 0.00 -0.47 120.40 122.90 3bga s VAL 828 Ca 0.13 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 3bga s VAL 828 Cb -0.11 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3bga s VAL 828 CO 0.02 -0.01 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.98 3bga s ARG 829 N 0.14 2.91 0.08 1.54 3.52 0.13 -0.58 118.95 126.70 3bga s ARG 829 Ca -0.01 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3bga s ARG 829 Cb -0.03 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 3bga s ARG 829 CO 0.01 -0.15 -0.10 0.00 -0.81 0.00 0.00 175.30 174.25 3bga s ALA 830 N 1.16 1.00 0.10 6.12 0.00 -0.32 -0.76 121.76 129.06 3bga s ALA 830 Ca 0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 3bga s ALA 830 Cb -0.14 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 3bga s ALA 830 CO -0.09 -0.01 0.59 -1.21 0.00 0.00 0.00 175.76 175.04 3bga s GLU 831 N -2.39 4.18 -0.33 0.00 2.02 0.16 -1.48 118.70 120.87 3bga s GLU 831 Ca 0.01 0.72 -0.10 0.00 0.02 0.00 0.00 54.97 55.62 3bga s GLU 831 Cb -0.05 -3.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 3bga s GLU 831 CO 0.00 0.59 0.17 0.42 0.02 0.00 0.00 175.26 176.47 3bga s ILE 832 N -1.20 4.68 0.04 -1.63 1.09 -0.44 -0.83 121.20 122.91 3bga s ILE 832 Ca 0.32 -0.47 0.06 0.00 -1.10 0.00 0.00 60.65 59.45 3bga s ILE 832 Cb -0.19 -3.43 -0.03 0.00 -1.06 0.00 0.00 42.46 37.75 3bga s ILE 832 CO 0.19 0.00 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.16 3bga s LEU 833 N 1.62 2.92 0.77 2.97 1.02 0.91 -0.10 118.68 128.78 3bga s LEU 833 Ca 0.04 -0.32 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 3bga s LEU 833 Cb -0.17 -1.70 0.15 0.00 0.02 0.00 0.00 46.19 44.48 3bga s LEU 833 CO 0.07 0.25 1.05 0.54 0.02 0.00 0.00 176.35 178.28 3bga s ASN 834 N -1.62 4.09 0.00 2.29 2.20 -1.08 0.11 114.94 120.92 3bga s ASN 834 Ca 0.17 -0.39 0.10 0.00 -0.94 0.00 0.00 52.86 51.80 3bga s ASN 834 Cb -0.11 0.12 0.49 0.00 -2.00 0.00 0.00 41.25 39.76 3bga s ASN 834 CO 0.08 -2.05 1.26 0.61 -2.94 0.00 0.00 177.10 174.05 3bga n GLY 835 N -2.98 -0.70 0.01 0.45 0.00 -0.63 -1.73 105.19 99.60 3bga n GLY 835 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3bga n GLY 835 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bga n LYS 836 N -1.36 0.06 0.00 1.61 4.76 -1.26 -4.94 118.16 117.03 3bga n LYS 836 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3bga n LYS 836 Cb 0.09 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3bga n LYS 836 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bga n GLY 837 N 1.47 2.80 3.63 0.72 0.00 -0.71 -5.04 105.19 108.06 3bga n GLY 837 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3bga n GLY 837 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bga n GLN 838 N -2.00 0.42 -2.96 1.61 6.02 -1.26 -4.73 117.38 114.48 3bga n GLN 838 Ca 0.00 0.21 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 3bga n GLN 838 Cb 0.00 -2.28 -0.05 0.00 1.02 0.00 0.00 30.24 28.93 3bga n GLN 838 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3bga s LYS 839 N -3.56 3.25 0.15 -1.09 2.20 -1.26 -2.65 119.74 116.78 3bga s LYS 839 Ca 0.73 -0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 55.73 3bga s LYS 839 Cb -0.33 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 31.91 3bga s LYS 839 CO 0.51 -1.39 1.51 0.28 -0.36 0.00 0.00 175.35 175.90 3bga h VAL 840 N 5.96 1.27 0.00 4.02 2.07 -0.86 -3.43 116.25 125.29 3bga h VAL 840 Ca -0.27 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3bga h VAL 840 Cb 1.08 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3bga h VAL 840 CO 1.04 0.50 0.00 0.61 0.02 0.00 0.00 177.57 179.75 3bga n GLY 841 N 0.02 0.54 3.64 2.17 0.00 -1.05 -1.38 105.19 109.13 3bga n GLY 841 Ca -0.01 0.37 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 3bga n GLY 841 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 843 N -1.00 -2.13 -0.13 4.61 0.00 -0.55 -1.33 121.76 121.24 3bga s ALA 843 Ca 0.00 1.88 0.02 0.00 0.00 0.00 0.00 51.96 53.86 3bga s ALA 843 Cb 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3bga s ALA 843 CO 0.00 -0.23 -0.18 -0.51 0.00 0.00 0.00 175.76 174.84 3bga s ASP 844 N -0.95 2.74 -0.04 0.00 1.01 -0.18 -1.17 116.67 118.08 3bga s ASP 844 Ca 0.09 -0.51 0.05 0.00 0.71 0.00 0.00 52.55 52.89 3bga s ASP 844 Cb -0.01 -1.25 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 3bga s ASP 844 CO -0.08 0.03 -0.18 -0.36 0.21 0.00 0.00 175.17 174.79 3bga s PHE 845 N 0.97 2.59 -0.29 4.23 0.08 0.25 -1.07 117.98 124.74 3bga s PHE 845 Ca -0.06 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 3bga s PHE 845 Cb -0.15 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3bga s PHE 845 CO -0.03 0.12 0.09 0.08 -0.10 0.00 0.00 175.22 175.38 3bga s VAL 846 N -0.70 0.76 -0.36 -0.44 1.01 -0.39 -0.82 120.40 119.46 3bga s VAL 846 Ca 0.11 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 3bga s VAL 846 Cb -0.10 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3bga s VAL 846 CO 0.00 -0.59 0.42 -0.31 0.00 0.00 0.00 175.10 174.62 3bga s TYR 847 N 1.69 3.19 -0.02 5.22 2.02 -0.08 -1.96 117.35 127.41 3bga s TYR 847 Ca 0.08 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 3bga s TYR 847 Cb -0.17 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 3bga s TYR 847 CO -0.23 -0.52 -0.19 0.00 -1.57 0.00 0.00 175.55 173.04 3bga s ALA 848 N 2.15 1.59 -0.37 3.71 0.00 -0.46 -0.18 121.76 128.20 3bga s ALA 848 Ca 0.14 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3bga s ALA 848 Cb -0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 3bga s ALA 848 CO 0.13 0.36 0.26 -1.17 0.00 0.00 0.00 175.76 175.34 3bga s LEU 849 N -0.30 4.76 0.80 0.00 2.96 0.87 -0.67 118.68 127.11 3bga s LEU 849 Ca 0.04 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 3bga s LEU 849 Cb -0.09 -2.15 0.07 0.00 0.50 0.00 0.00 46.19 44.53 3bga s LEU 849 CO 0.00 -0.32 1.09 -0.62 -1.32 0.00 0.00 176.35 175.18 3bga s ASP 850 N 1.70 4.29 0.43 3.68 2.15 0.13 -4.92 116.67 124.13 3bga s ASP 850 Ca 0.06 1.71 0.10 0.00 0.43 0.00 0.00 52.55 54.85 3bga s ASP 850 Cb -0.18 -2.42 0.92 0.00 -0.30 0.00 0.00 42.92 40.95 3bga s ASP 850 CO 0.10 -2.15 2.02 0.11 -0.17 0.00 0.00 175.17 175.08 3bga h LYS 851 N -1.21 0.29 0.00 4.34 1.57 -1.98 -0.72 116.57 118.86 3bga h LYS 851 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3bga h LYS 851 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3bga h LYS 851 CO 0.53 0.28 0.00 0.09 -0.57 0.00 0.00 179.45 179.78 3bga n ASN 852 N -4.41 0.00 0.00 0.86 3.02 -1.26 -4.83 115.26 108.64 3bga n ASN 852 Ca 0.00 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3bga n ASN 852 Cb 0.15 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3bga n ASN 852 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bga n GLY 853 N 0.44 0.77 3.78 7.41 0.00 -0.28 -4.41 105.19 112.90 3bga n GLY 853 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3bga n GLY 853 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 854 N -2.83 3.37 -0.34 4.61 0.00 -1.25 -4.57 121.76 120.74 3bga s ALA 854 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 3bga s ALA 854 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3bga s ALA 854 CO 0.00 0.26 0.19 -1.17 0.00 0.00 0.00 175.76 175.04 3bga s LEU 855 N -1.49 4.44 -0.08 0.00 2.96 0.21 0.17 118.68 124.89 3bga s LEU 855 Ca 0.41 -0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 3bga s LEU 855 Cb -0.22 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3bga s LEU 855 CO 0.26 -0.29 0.43 -0.75 -1.32 0.00 0.00 176.35 174.69 3bga s LYS 856 N 1.60 4.19 -0.25 1.98 2.20 0.16 -0.97 119.74 128.65 3bga s LYS 856 Ca 0.04 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 3bga s LYS 856 Cb -0.18 -3.36 0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3bga s LYS 856 CO 0.07 0.36 -0.03 0.08 -0.36 0.00 0.00 175.35 175.47 3bga s VAL 857 N -0.01 1.56 -0.13 4.02 1.01 -0.24 -1.36 120.40 125.25 3bga s VAL 857 Ca 0.24 -1.38 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 3bga s VAL 857 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3bga s VAL 857 CO 0.11 -0.22 0.17 -0.13 0.00 0.00 0.00 175.10 175.03 3bga s ARG 858 N 1.36 3.67 0.00 2.72 0.52 -0.83 -2.22 118.95 124.17 3bga s ARG 858 Ca -0.02 -0.08 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 3bga s ARG 858 Cb -0.19 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 3bga s ARG 858 CO -0.08 0.65 -0.13 0.99 0.02 0.00 0.00 175.30 176.75 3bga s THR 859 N -0.70 1.00 -0.20 0.02 2.01 0.26 -1.26 115.64 116.76 3bga s THR 859 Ca 0.15 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 3bga s THR 859 Cb -0.12 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.59 3bga s THR 859 CO 0.04 0.21 0.02 -0.89 -0.69 0.00 0.00 174.62 173.31 3bga s THR 860 N -0.42 0.69 -0.12 -0.82 2.01 -0.23 -1.09 115.64 115.65 3bga s THR 860 Ca 0.04 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 3bga s THR 860 Cb -0.05 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3bga s THR 860 CO -0.00 -0.19 -0.08 0.12 -0.69 0.00 0.00 174.62 173.78 3bga s PHE 861 N 1.78 2.92 -0.28 4.92 5.36 -0.31 -1.01 117.98 131.37 3bga s PHE 861 Ca -0.02 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.68 3bga s PHE 861 Cb -0.17 -1.84 0.08 0.00 -0.34 0.00 0.00 43.02 40.75 3bga s PHE 861 CO -0.08 0.04 -0.01 -1.14 -1.46 0.00 0.00 175.22 172.57 3bga s GLN 862 N -0.05 1.54 0.55 10.12 2.00 -1.26 -1.62 119.66 130.94 3bga s GLN 862 Ca -0.00 -1.34 -0.11 0.00 -2.00 0.00 0.00 55.36 51.91 3bga s GLN 862 Cb -0.13 -2.74 -0.05 0.00 0.80 0.00 0.00 33.01 30.89 3bga s GLN 862 CO 0.03 -0.76 0.94 -1.25 -0.50 0.00 0.00 175.29 173.75 3bga s PRO 863 N 1.23 3.67 -0.63 1.67 0.04 -1.26 -4.45 135.00 135.26 3bga s PRO 863 Ca 0.01 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 3bga s PRO 863 Cb -0.19 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.26 3bga s PRO 863 CO -0.09 -0.38 0.80 0.34 0.04 0.00 0.00 177.00 177.71 3bga s ASP 864 N -3.86 6.22 0.24 6.66 -1.08 -0.48 -4.89 116.67 119.47 3bga s ASP 864 Ca 0.54 -1.37 0.13 0.00 -0.52 0.00 0.00 52.55 51.33 3bga s ASP 864 Cb -0.11 -2.34 0.73 0.00 -1.46 0.00 0.00 42.92 39.74 3bga s ASP 864 CO 0.46 -1.19 1.35 0.35 0.52 0.00 0.00 175.17 176.66 3bga n THR 865 N 5.61 1.06 0.23 1.71 -2.24 -1.26 -0.81 114.28 118.58 3bga n THR 865 Ca -0.06 0.68 0.12 0.00 -2.27 0.00 0.00 64.05 62.53 3bga n THR 865 Cb 0.44 -1.68 0.25 0.00 -2.10 0.00 0.00 70.33 67.24 3bga n THR 865 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga h ALA 866 N 1.66 0.98 0.00 6.98 0.00 -1.96 -3.37 119.26 123.55 3bga h ALA 866 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3bga h ALA 866 Cb 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bga h ALA 866 CO 0.00 0.04 -1.35 -0.89 0.00 0.00 0.00 179.25 177.05 3bga n ILE 867 N -3.11 0.35 -3.14 0.00 2.08 -0.03 -4.94 119.36 110.57 3bga n ILE 867 Ca 0.03 -0.14 -0.45 0.00 0.56 0.00 0.00 62.75 62.75 3bga n ILE 867 Cb 0.50 -0.73 -0.05 0.00 -0.75 0.00 0.00 39.64 38.61 3bga n ILE 867 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3bga s VAL 868 N -2.12 4.87 -0.58 1.39 1.01 0.01 -4.58 120.40 120.40 3bga s VAL 868 Ca -0.08 -0.91 0.23 0.00 0.00 0.00 0.00 61.98 61.23 3bga s VAL 868 Cb 0.02 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3bga s VAL 868 CO 0.15 -1.02 1.12 0.29 0.00 0.00 0.00 175.10 175.64 3bga n LYS 869 N 6.20 0.32 -1.16 2.72 4.76 -1.26 -4.46 118.16 125.29 3bga n LYS 869 Ca -0.09 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3bga n LYS 869 Cb 0.43 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3bga n LYS 869 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3bga n SER 870 N -2.08 0.00 0.00 4.39 2.88 -1.26 -4.99 113.62 112.55 3bga n SER 870 Ca 0.02 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 3bga n SER 870 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3bga n SER 870 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bga n ALA 872 N -3.00 1.80 -3.83 -1.46 0.00 -0.40 -4.56 120.51 109.07 3bga n ALA 872 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3bga n ALA 872 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.68 3bga n ALA 872 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3bga s ARG 873 N -1.77 1.70 -0.21 0.00 1.70 -1.09 -1.49 118.95 117.78 3bga s ARG 873 Ca 0.00 -1.05 -0.04 0.00 -0.47 0.00 0.00 55.73 54.17 3bga s ARG 873 Cb 0.00 0.51 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 3bga s ARG 873 CO 0.00 -0.79 0.23 -1.17 -1.08 0.00 0.00 175.30 172.49 3bga s LEU 874 N -3.11 -0.13 0.00 -1.89 2.96 0.10 -4.26 118.68 112.34 3bga s LEU 874 Ca 0.16 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3bga s LEU 874 Cb -0.04 0.41 0.00 0.00 0.50 0.00 0.00 46.19 47.06 3bga s LEU 874 CO 0.07 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3bga n GLY 875 N 5.32 -0.76 3.60 7.98 0.00 -1.09 -1.01 105.19 119.23 3bga n GLY 875 Ca -0.05 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3bga n GLY 875 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bga s LEU 876 N 0.00 3.06 -0.00 0.99 1.43 -0.02 -0.89 118.68 123.25 3bga s LEU 876 Ca 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3bga s LEU 876 Cb 0.00 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3bga s LEU 876 CO 0.00 0.09 0.16 0.28 0.23 0.00 0.00 176.35 177.11 3bga s THR 877 N -1.76 0.07 0.22 5.49 -1.32 -0.20 -0.77 115.64 117.38 3bga s THR 877 Ca 0.26 -0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 59.96 3bga s THR 877 Cb -0.09 -0.44 0.06 0.00 -1.51 0.00 0.00 72.50 70.53 3bga s THR 877 CO 0.16 -0.34 0.80 2.22 -2.21 0.00 0.00 174.62 175.25 3bga n PHE 878 N 1.54 -1.59 -4.19 9.09 1.16 -0.88 -0.91 117.46 121.68 3bga n PHE 878 Ca -0.22 -1.27 -0.11 0.00 -1.87 0.00 0.00 57.45 53.98 3bga n PHE 878 Cb 0.56 0.63 -0.04 0.00 -1.61 0.00 0.00 39.48 39.02 3bga n PHE 878 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3bga n ARG 879 N -0.56 0.49 -3.07 3.97 1.74 -1.23 -0.70 116.66 117.30 3bga n ARG 879 Ca -0.04 -1.64 -0.32 0.00 -0.77 0.00 0.00 57.85 55.07 3bga n ARG 879 Cb 0.50 1.11 -0.06 0.00 -1.02 0.00 0.00 32.46 32.99 3bga n ARG 879 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bga s ALA 881 N -2.59 3.31 -1.61 7.54 0.00 -1.26 -0.48 121.76 126.67 3bga s ALA 881 Ca 0.14 0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.29 3bga s ALA 881 Cb 0.01 -2.77 0.92 0.00 0.00 0.00 0.00 23.12 21.27 3bga s ALA 881 CO 0.10 0.27 1.49 -0.40 0.00 0.00 0.00 175.76 177.22 3bga n ASP 882 N -0.54 0.00 0.16 0.00 5.68 0.52 -2.32 116.55 120.05 3bga n ASP 882 Ca 0.03 -0.14 0.01 0.00 -0.50 0.00 0.00 54.79 54.19 3bga n ASP 882 Cb 0.53 -0.20 0.31 0.00 -1.14 0.00 0.00 41.12 40.63 3bga n ASP 882 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bga h ALA 883 N 2.90 1.29 -0.80 2.12 0.00 -1.98 -3.32 119.26 119.47 3bga h ALA 883 Ca 0.00 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.93 3bga h ALA 883 Cb 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3bga h ALA 883 CO 0.00 0.52 1.92 0.71 0.00 0.00 0.00 179.25 182.40 3bga s TYR 884 N -4.14 2.59 -0.77 0.00 2.02 -0.98 -4.31 117.35 111.76 3bga s TYR 884 Ca -0.03 -1.14 0.11 0.00 -0.37 0.00 0.00 57.07 55.64 3bga s TYR 884 Cb 0.14 -4.60 -0.05 0.00 -0.40 0.00 0.00 41.96 37.05 3bga s TYR 884 CO 0.74 -1.70 0.56 0.27 -1.57 0.00 0.00 175.55 173.85 3bga n ASN 885 N 9.65 0.92 -4.64 2.29 6.94 -1.13 -4.74 115.26 124.55 3bga n ASN 885 Ca 0.47 -0.96 -0.42 0.00 -0.02 0.00 0.00 54.58 53.65 3bga n ASN 885 Cb 0.47 0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 38.56 3bga n ASN 885 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3bga s GLN 886 N -1.69 4.13 -0.07 -3.83 -1.52 -0.30 -2.18 119.66 114.20 3bga s GLN 886 Ca 0.07 0.91 0.04 0.00 -1.95 0.00 0.00 55.36 54.42 3bga s GLN 886 Cb 0.08 -3.67 -0.02 0.00 -0.22 0.00 0.00 33.01 29.19 3bga s GLN 886 CO 0.34 -0.59 -0.19 0.08 -0.25 0.00 0.00 175.29 174.69 3bga s VAL 887 N 2.95 2.63 0.01 1.09 1.01 0.53 -1.07 120.40 127.55 3bga s VAL 887 Ca 0.36 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3bga s VAL 887 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3bga s VAL 887 CO 0.09 0.57 -0.03 -0.55 0.00 0.00 0.00 175.10 175.17 3bga s SER 888 N -0.22 0.32 -0.01 3.32 0.15 -0.21 -0.45 113.70 116.60 3bga s SER 888 Ca -0.00 -0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 3bga s SER 888 Cb -0.13 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.27 3bga s SER 888 CO 0.03 -0.09 0.72 -0.72 1.20 0.00 0.00 173.24 174.38 3bga s TYR 889 N -0.57 -0.57 -0.34 3.44 -0.85 -0.22 -0.27 117.35 117.97 3bga s TYR 889 Ca -0.05 0.79 -0.05 0.00 -0.52 0.00 0.00 57.07 57.25 3bga s TYR 889 Cb -0.04 0.46 0.05 0.00 0.38 0.00 0.00 41.96 42.81 3bga s TYR 889 CO -0.00 -0.63 0.09 -1.17 -1.52 0.00 0.00 175.55 172.31 3bga s LEU 890 N -1.68 4.30 0.00 -3.49 2.96 -0.23 -0.86 118.68 119.68 3bga s LEU 890 Ca -0.06 -1.28 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 3bga s LEU 890 Cb -0.00 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.87 3bga s LEU 890 CO 0.02 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 3bga n GLY 891 N 4.73 -1.06 3.71 7.98 0.00 -0.95 0.07 105.19 119.68 3bga n GLY 891 Ca -0.12 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3bga n GLY 891 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bga s ARG 892 N -0.70 4.23 0.00 1.61 3.52 -0.48 -1.86 118.95 125.27 3bga s ARG 892 Ca 0.00 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 3bga s ARG 892 Cb 0.00 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3bga s ARG 892 CO 0.00 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 3bga n GLY 893 N 3.76 0.00 0.09 8.12 0.00 0.46 -4.54 105.19 113.07 3bga n GLY 893 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3bga n GLY 893 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bga n ASP 894 N -2.81 0.39 -4.09 1.61 2.03 -1.26 -4.87 116.55 107.55 3bga n ASP 894 Ca 0.00 -0.44 -0.18 0.00 0.52 0.00 0.00 54.79 54.70 3bga n ASP 894 Cb 0.00 -0.11 -0.09 0.00 -0.72 0.00 0.00 41.12 40.20 3bga n ASP 894 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3bga s HIS 895 N -2.55 1.56 0.17 -0.67 -3.43 -1.26 -5.13 115.29 103.97 3bga s HIS 895 Ca 0.27 -1.32 -0.32 0.00 -0.80 0.00 0.00 55.06 52.89 3bga s HIS 895 Cb 0.20 -0.85 -0.10 0.00 -1.43 0.00 0.00 32.58 30.39 3bga s HIS 895 CO 0.49 -0.48 1.60 -2.00 -2.00 0.00 0.00 174.74 172.35 3bga s GLU 896 N -3.89 4.20 0.12 -0.38 2.12 -1.26 -4.87 118.70 114.74 3bga s GLU 896 Ca 0.36 2.40 -0.04 0.00 0.36 0.00 0.00 54.97 58.06 3bga s GLU 896 Cb 0.06 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3bga s GLU 896 CO 0.16 -0.64 0.11 0.95 -0.54 0.00 0.00 175.26 175.30 3bga s THR 897 N 1.24 0.12 0.20 -1.70 -4.23 -0.99 -4.78 115.64 105.50 3bga s THR 897 Ca 0.71 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3bga s THR 897 Cb -0.45 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 3bga s THR 897 CO 0.31 -0.56 0.07 -0.31 -0.54 0.00 0.00 174.62 173.60 3bga s TYR 898 N -3.98 1.25 0.47 3.99 2.02 -1.03 -4.17 117.35 115.90 3bga s TYR 898 Ca 0.16 -1.20 0.13 0.00 -0.37 0.00 0.00 57.07 55.80 3bga s TYR 898 Cb 0.06 -0.69 1.11 0.00 -0.40 0.00 0.00 41.96 42.04 3bga s TYR 898 CO -0.03 -0.41 2.10 -0.84 -1.57 0.00 0.00 175.55 174.80 3bga h ILE 899 N 2.60 1.02 -0.62 2.71 3.07 -1.84 -0.58 117.51 123.86 3bga h ILE 899 Ca -0.37 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3bga h ILE 899 Cb 1.23 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3bga h ILE 899 CO 0.59 0.04 0.00 -0.90 -1.05 0.00 0.00 178.15 176.83 3bga n ASP 900 N -4.50 4.77 -2.82 2.16 5.75 -1.26 -4.41 116.55 116.24 3bga n ASP 900 Ca 0.01 -2.49 -0.11 0.00 -0.01 0.00 0.00 54.79 52.18 3bga n ASP 900 Cb 0.12 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 39.68 3bga n ASP 900 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bga n ARG 901 N 1.04 0.95 -1.40 0.11 0.63 -0.26 -0.50 116.66 117.22 3bga n ARG 901 Ca 0.25 -2.15 0.03 0.00 -0.92 0.00 0.00 57.85 55.06 3bga n ARG 901 Cb 0.91 -1.23 0.01 0.00 0.45 0.00 0.00 32.46 32.60 3bga n ARG 901 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3bga n ASN 902 N 0.68 0.77 0.16 6.15 6.94 -0.97 -2.46 115.26 126.52 3bga n ASN 902 Ca 0.10 -2.00 0.02 0.00 -0.02 0.00 0.00 54.58 52.68 3bga n ASN 902 Cb 0.67 -0.24 0.24 0.00 -2.36 0.00 0.00 39.78 38.09 3bga n ASN 902 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3bga h GLN 903 N 0.86 0.00 -7.55 -3.83 1.08 -1.93 -3.44 115.11 100.30 3bga h GLN 903 Ca -0.25 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.48 3bga h GLN 903 Cb 1.83 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 29.36 3bga h GLN 903 CO 0.06 0.51 0.39 -1.54 -0.95 0.00 0.00 178.83 177.30 3bga s SER 904 N -6.66 4.61 0.00 1.46 1.04 -1.26 -4.93 113.70 107.96 3bga s SER 904 Ca -0.01 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.35 3bga s SER 904 Cb 0.12 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3bga s SER 904 CO 0.73 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.70 3bga n GLY 905 N -3.01 -2.40 3.22 7.32 0.00 -1.26 -4.80 105.19 104.26 3bga n GLY 905 Ca 0.07 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 3bga n GLY 905 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 906 N -0.74 0.44 0.16 1.61 0.52 -1.26 -4.75 118.95 114.93 3bga s ARG 906 Ca 0.00 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 3bga s ARG 906 Cb 0.00 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 3bga s ARG 906 CO 0.00 -0.08 1.16 0.42 0.02 0.00 0.00 175.30 176.82 3bga s ILE 907 N -0.17 3.77 -2.03 1.52 1.01 -1.25 0.17 121.20 124.21 3bga s ILE 907 Ca -0.03 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3bga s ILE 907 Cb -0.03 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3bga s ILE 907 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3bga n GLY 908 N 2.30 -1.80 3.73 6.18 0.00 -0.78 -4.91 105.19 109.92 3bga n GLY 908 Ca 0.04 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3bga n GLY 908 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bga s LEU 909 N 0.00 4.36 0.01 0.99 1.43 -1.26 -2.23 118.68 121.97 3bga s LEU 909 Ca 0.00 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 3bga s LEU 909 Cb 0.00 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3bga s LEU 909 CO 0.00 -0.07 -0.08 -0.31 0.23 0.00 0.00 176.35 176.12 3bga s TYR 910 N 0.50 0.70 -0.04 0.29 2.02 -0.04 -4.98 117.35 115.80 3bga s TYR 910 Ca 0.38 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.94 3bga s TYR 910 Cb -0.18 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3bga s TYR 910 CO 0.19 -0.02 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.41 3bga s ASP 911 N -0.47 2.82 0.00 2.29 1.01 -1.26 -1.05 116.67 120.00 3bga s ASP 911 Ca 0.01 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.81 3bga s ASP 911 Cb -0.04 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.26 3bga s ASP 911 CO -0.00 0.25 0.00 1.07 0.21 0.00 0.00 175.17 176.70 3bga n THR 912 N 2.83 0.00 -4.34 -1.27 5.66 0.40 -5.01 114.28 112.56 3bga n THR 912 Ca -0.17 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.66 3bga n THR 912 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3bga n THR 912 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3bga s THR 913 N -2.64 1.21 0.16 1.09 -4.23 -1.26 -0.34 115.64 109.63 3bga s THR 913 Ca 0.00 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 3bga s THR 913 Cb 0.00 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.61 3bga s THR 913 CO 0.00 -0.40 1.83 0.58 -0.54 0.00 0.00 174.62 176.09 3bga h VAL 914 N 2.49 1.12 -0.48 2.29 2.07 -1.77 -2.38 116.25 119.58 3bga h VAL 914 Ca -0.38 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3bga h VAL 914 Cb 1.22 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3bga h VAL 914 CO 0.65 0.12 0.31 -0.33 0.02 0.00 0.00 177.57 178.33 3bga h GLU 915 N 0.64 0.64 -1.75 1.57 4.39 -1.91 -3.16 114.58 114.99 3bga h GLU 915 Ca 0.17 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3bga h GLU 915 Cb -0.07 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3bga h GLU 915 CO -0.04 0.43 0.00 0.54 -1.16 0.00 0.00 179.01 178.79 3bga n ARG 916 N -4.45 0.48 -0.97 2.33 1.74 -0.90 -4.88 116.66 110.01 3bga n ARG 916 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3bga n ARG 916 Cb 0.06 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3bga n ARG 916 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bga n PHE 918 N 1.24 0.00 -3.65 -1.55 7.35 -1.20 -4.98 117.46 114.68 3bga n PHE 918 Ca 0.00 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.33 3bga n PHE 918 Cb 0.24 -0.35 -0.07 0.00 0.35 0.00 0.00 39.48 39.65 3bga n PHE 918 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3bga s HIS 919 N 0.00 3.45 -1.28 -5.13 5.65 -1.26 -5.02 115.29 111.70 3bga s HIS 919 Ca 0.00 0.47 -0.14 0.00 0.25 0.00 0.00 55.06 55.64 3bga s HIS 919 Cb 0.00 -2.23 0.13 0.00 -1.18 0.00 0.00 32.58 29.30 3bga s HIS 919 CO 0.00 0.30 1.71 0.66 -0.65 0.00 0.00 174.74 176.76 3bga n TYR 920 N 3.41 4.32 -2.10 3.88 4.01 -1.26 -4.92 117.16 124.51 3bga n TYR 920 Ca -0.14 -3.06 -0.39 0.00 -0.16 0.00 0.00 57.90 54.15 3bga n TYR 920 Cb 0.52 -2.32 -0.00 0.00 -0.31 0.00 0.00 39.34 37.23 3bga n TYR 920 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3bga s TYR 921 N 2.29 2.79 0.30 -0.72 2.02 -1.26 -4.89 117.35 117.89 3bga s TYR 921 Ca 0.46 1.45 0.04 0.00 -0.37 0.00 0.00 57.07 58.65 3bga s TYR 921 Cb 0.04 -3.58 0.79 0.00 -0.40 0.00 0.00 41.96 38.80 3bga s TYR 921 CO 0.01 -1.96 1.62 0.00 -1.57 0.00 0.00 175.55 173.65 3bga h ALA 922 N 2.37 1.33 -2.87 3.71 0.00 -1.95 -3.24 119.26 118.61 3bga h ALA 922 Ca -0.50 0.26 -0.70 0.00 0.00 0.00 0.00 54.91 53.98 3bga h ALA 922 Cb 1.25 0.40 -0.24 0.00 0.00 0.00 0.00 17.79 19.20 3bga h ALA 922 CO 0.61 -0.55 -0.54 0.99 0.00 0.00 0.00 179.25 179.76 3bga s THR 923 N -5.92 4.46 0.07 0.00 2.01 -1.26 -3.89 115.64 111.11 3bga s THR 923 Ca -0.12 -0.75 -0.36 0.00 0.31 0.00 0.00 61.69 60.76 3bga s THR 923 Cb 0.28 -3.42 -0.16 0.00 0.01 0.00 0.00 72.50 69.21 3bga s THR 923 CO 0.77 -0.12 1.45 -2.65 -0.69 0.00 0.00 174.62 173.38 3bga n PRO 924 N 4.97 1.43 -3.88 4.92 -0.02 -1.23 -4.93 135.00 136.26 3bga n PRO 924 Ca -0.13 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3bga n PRO 924 Cb 0.47 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3bga n PRO 924 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3bga s GLN 925 N 0.97 2.18 0.39 -0.52 -2.07 -1.26 -4.78 119.66 114.57 3bga s GLN 925 Ca 0.84 -1.55 -0.26 0.00 -1.82 0.00 0.00 55.36 52.58 3bga s GLN 925 Cb -0.89 0.58 -0.11 0.00 -1.09 0.00 0.00 33.01 31.50 3bga s GLN 925 CO 0.46 -0.99 1.10 0.43 -1.32 0.00 0.00 175.29 174.97 3bga n SER 926 N -1.47 1.74 -3.27 12.60 7.64 -0.81 -4.98 113.62 125.08 3bga n SER 926 Ca -0.06 1.09 -0.05 0.00 1.01 0.00 0.00 58.87 60.86 3bga n SER 926 Cb 0.60 -1.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.43 3bga n SER 926 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3bga s THR 927 N -1.20 0.00 -0.60 0.44 -1.32 -1.26 -4.88 115.64 106.81 3bga s THR 927 Ca 0.61 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 3bga s THR 927 Cb -0.57 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 3bga s THR 927 CO 0.58 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.99 3bga n ALA 928 N -0.62 -0.09 -1.79 11.08 0.00 -1.26 -4.81 120.51 123.02 3bga n ALA 928 Ca -0.05 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 3bga n ALA 928 Cb 0.60 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3bga n ALA 928 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3bga s ASN 929 N -2.56 6.25 -0.03 0.00 3.04 -1.26 -4.32 114.94 116.05 3bga s ASN 929 Ca 0.00 1.99 0.02 0.00 0.04 0.00 0.00 52.86 54.91 3bga s ASN 929 Cb 0.00 -2.57 0.01 0.00 -1.54 0.00 0.00 41.25 37.15 3bga s ASN 929 CO 0.00 -0.85 -0.07 -0.13 -3.04 0.00 0.00 177.10 173.01 3bga s ARG 930 N -3.18 0.92 0.44 0.43 1.81 -0.55 -2.34 118.95 116.48 3bga s ARG 930 Ca 0.68 -0.22 0.07 0.00 -1.72 0.00 0.00 55.73 54.54 3bga s ARG 930 Cb -0.18 -0.87 -0.02 0.00 -0.45 0.00 0.00 34.95 33.42 3bga s ARG 930 CO 0.22 0.03 0.29 0.95 -0.68 0.00 0.00 175.30 176.11 3bga s THR 931 N 0.50 2.28 -1.56 0.02 -4.23 -1.26 -2.27 115.64 109.11 3bga s THR 931 Ca -0.07 -1.54 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 3bga s THR 931 Cb -0.11 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 71.01 3bga s THR 931 CO 0.01 0.00 0.92 0.47 -0.54 0.00 0.00 174.62 175.48 3bga n ASP 932 N -1.45 -4.52 -4.72 3.99 8.00 -1.19 -1.38 116.55 115.28 3bga n ASP 932 Ca 0.00 -0.80 -0.40 0.00 0.71 0.00 0.00 54.79 54.30 3bga n ASP 932 Cb 0.64 -3.62 -0.04 0.00 -0.02 0.00 0.00 41.12 38.07 3bga n ASP 932 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bga s VAL 933 N -3.27 4.93 -0.19 2.53 1.01 0.17 -3.47 120.40 122.10 3bga s VAL 933 Ca 0.67 1.60 -0.14 0.00 0.00 0.00 0.00 61.98 64.11 3bga s VAL 933 Cb -0.34 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 31.72 3bga s VAL 933 CO 0.83 0.27 0.16 0.54 0.00 0.00 0.00 175.10 176.90 3bga n ARG 934 N 3.52 0.64 -3.60 2.72 5.12 0.11 -0.82 116.66 124.35 3bga n ARG 934 Ca -0.00 0.40 -0.16 0.00 -1.93 0.00 0.00 57.85 56.15 3bga n ARG 934 Cb 0.51 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 30.06 3bga n ARG 934 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 3bga s TRP 935 N -2.46 -0.49 0.08 -1.55 1.48 -1.17 -4.14 118.94 110.70 3bga s TRP 935 Ca -0.28 0.79 0.05 0.00 -1.06 0.00 0.00 56.10 55.59 3bga s TRP 935 Cb 0.08 0.31 -0.03 0.00 -1.16 0.00 0.00 33.47 32.66 3bga s TRP 935 CO 0.64 -0.55 -0.13 0.00 -4.06 0.00 0.00 176.95 172.85 3bga s ALA 936 N -1.39 1.15 -0.07 2.67 0.00 -1.26 -1.07 121.76 121.79 3bga s ALA 936 Ca -0.11 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 3bga s ALA 936 Cb -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3bga s ALA 936 CO 0.07 0.10 0.18 0.21 0.00 0.00 0.00 175.76 176.32 3bga s LYS 937 N -2.04 0.20 -0.07 0.00 2.20 0.62 -4.50 119.74 116.15 3bga s LYS 937 Ca 0.00 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3bga s LYS 937 Cb -0.08 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.31 3bga s LYS 937 CO 0.02 -0.05 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.67 3bga s LEU 938 N 0.29 1.61 0.09 5.43 2.96 -0.85 -1.04 118.68 127.17 3bga s LEU 938 Ca -0.02 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3bga s LEU 938 Cb -0.03 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 3bga s LEU 938 CO -0.01 0.02 0.05 0.42 -1.32 0.00 0.00 176.35 175.51 3bga s THR 939 N 0.75 0.16 0.49 3.68 -4.23 -0.23 -1.15 115.64 115.11 3bga s THR 939 Ca -0.13 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3bga s THR 939 Cb -0.16 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.09 3bga s THR 939 CO 0.03 -0.73 0.68 -0.90 -0.54 0.00 0.00 174.62 173.15 3bga n ASP 940 N -0.00 1.36 -0.18 3.99 5.68 0.48 -1.16 116.55 126.72 3bga n ASP 940 Ca -0.11 -2.04 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 3bga n ASP 940 Cb 0.62 -0.40 0.44 0.00 -1.14 0.00 0.00 41.12 40.64 3bga n ASP 940 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3bga h GLN 941 N 0.00 0.55 0.00 0.11 4.15 -1.90 -0.21 115.11 117.82 3bga h GLN 941 Ca -0.23 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3bga h GLN 941 Cb 0.94 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.51 3bga h GLN 941 CO 0.28 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 177.55 3bga n ALA 942 N -2.48 2.34 -0.57 3.38 0.00 -1.26 -4.53 120.51 117.38 3bga n ALA 942 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bga n ALA 942 Cb 0.42 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3bga n ALA 942 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 943 N 0.75 0.78 3.85 0.00 0.00 -0.09 -2.91 105.19 107.57 3bga n GLY 943 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3bga n GLY 943 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bga s GLU 944 N -0.43 3.96 0.00 1.61 2.02 -1.26 -0.90 118.70 123.70 3bga s GLU 944 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3bga s GLU 944 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3bga s GLU 944 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.99 3bga n GLY 945 N 0.07 -0.73 3.46 -1.39 0.00 -0.84 -0.39 105.19 105.37 3bga n GLY 945 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3bga n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s VAL 946 N -2.91 0.00 0.57 1.61 0.11 -0.30 -2.45 120.40 117.03 3bga s VAL 946 Ca 0.00 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.12 3bga s VAL 946 Cb 0.00 -0.78 0.08 0.00 -1.53 0.00 0.00 36.38 34.15 3bga s VAL 946 CO 0.00 -0.01 0.79 0.12 -3.33 0.00 0.00 175.10 172.67 3bga s PHE 947 N 0.21 1.67 0.00 1.54 5.36 0.87 -2.00 117.98 125.62 3bga s PHE 947 Ca -0.01 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 3bga s PHE 947 Cb -0.04 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.29 3bga s PHE 947 CO 0.01 -1.12 0.00 -0.85 -1.46 0.00 0.00 175.22 171.81 3bga n GLU 949 N -2.27 -0.65 0.00 10.12 0.28 -0.98 0.02 120.64 127.16 3bga n GLU 949 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 3bga n GLU 949 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 3bga n GLU 949 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3bga n SER 950 N 0.00 1.03 -0.44 -1.84 2.88 -1.26 -0.68 113.62 113.30 3bga n SER 950 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3bga n SER 950 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 3bga n SER 950 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3bga n ASN 951 N 0.00 2.92 -3.60 -3.46 6.94 -1.26 -4.89 115.26 111.92 3bga n ASN 951 Ca 0.00 -2.67 -0.04 0.00 -0.02 0.00 0.00 54.58 51.84 3bga n ASN 951 Cb 0.00 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.05 3bga n ASN 951 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bga s ARG 952 N -2.19 0.63 0.27 -3.83 1.70 -1.26 -5.14 118.95 109.14 3bga s ARG 952 Ca 0.28 -0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3bga s ARG 952 Cb 0.22 0.26 -0.13 0.00 -0.57 0.00 0.00 34.95 34.73 3bga s ARG 952 CO 0.07 -0.28 1.42 -2.30 -1.08 0.00 0.00 175.30 173.13 3bga n PRO 953 N -0.28 2.18 -2.76 3.89 -0.02 -1.26 -4.91 135.00 131.85 3bga n PRO 953 Ca -0.05 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3bga n PRO 953 Cb 0.61 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3bga n PRO 953 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3bga n PHE 954 N 1.66 -0.06 -4.37 6.00 1.16 -0.00 -4.82 117.46 117.03 3bga n PHE 954 Ca 0.10 -0.86 -0.25 0.00 -1.87 0.00 0.00 57.45 54.57 3bga n PHE 954 Cb 0.33 0.03 -0.12 0.00 -1.61 0.00 0.00 39.48 38.12 3bga n PHE 954 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3bga s GLN 955 N -2.48 1.38 0.10 3.97 -0.21 -0.54 -0.66 119.66 121.22 3bga s GLN 955 Ca 0.09 -1.44 -0.20 0.00 0.02 0.00 0.00 55.36 53.82 3bga s GLN 955 Cb 0.00 -1.60 0.05 0.00 1.00 0.00 0.00 33.01 32.46 3bga s GLN 955 CO 0.06 0.34 0.50 -0.59 -2.12 0.00 0.00 175.29 173.48 3bga s PHE 956 N -1.77 -0.37 -0.16 0.91 -0.12 -0.96 -0.69 117.98 114.81 3bga s PHE 956 Ca 0.17 0.24 -0.13 0.00 -0.05 0.00 0.00 56.93 57.17 3bga s PHE 956 Cb -0.07 0.36 0.05 0.00 -0.63 0.00 0.00 43.02 42.73 3bga s PHE 956 CO 0.08 -0.71 0.42 -1.54 -0.05 0.00 0.00 175.22 173.43 3bga s SER 957 N -2.42 -0.48 -0.14 1.98 1.04 -1.04 -1.48 113.70 111.18 3bga s SER 957 Ca -0.01 0.88 -0.00 0.00 0.48 0.00 0.00 55.95 57.29 3bga s SER 957 Cb 0.00 0.83 0.03 0.00 0.10 0.00 0.00 66.02 66.99 3bga s SER 957 CO -0.08 -0.17 -0.07 -0.63 0.98 0.00 0.00 173.24 173.27 3bga s ILE 958 N 0.70 1.12 0.21 -1.02 1.01 -1.26 -1.97 121.20 119.98 3bga s ILE 958 Ca -0.04 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.24 3bga s ILE 958 Cb -0.05 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 3bga s ILE 958 CO -0.05 0.28 -0.18 0.27 0.00 0.00 0.00 174.94 175.27 3bga s ILE 959 N 1.65 1.97 -1.40 2.92 -4.36 -0.99 -4.78 121.20 116.20 3bga s ILE 959 Ca 0.03 -2.15 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 3bga s ILE 959 Cb -0.14 -2.04 0.23 0.00 1.25 0.00 0.00 42.46 41.77 3bga s ILE 959 CO -0.08 -0.43 1.04 -0.81 0.24 0.00 0.00 174.94 174.90 3bga n PRO 960 N -0.17 1.87 -4.37 0.37 -0.04 -1.26 -0.97 135.00 130.43 3bga n PRO 960 Ca -0.09 -0.91 -0.18 0.00 -0.04 0.00 0.00 63.50 62.27 3bga n PRO 960 Cb 0.59 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3bga n PRO 960 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3bga s PHE 961 N -1.62 1.69 0.27 0.54 0.08 -1.26 -4.61 117.98 113.06 3bga s PHE 961 Ca 0.16 -0.97 -0.14 0.00 0.12 0.00 0.00 56.93 56.10 3bga s PHE 961 Cb 0.11 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.45 3bga s PHE 961 CO 0.08 -0.07 0.66 -1.54 -0.10 0.00 0.00 175.22 174.24 3bga s SER 962 N -3.36 6.76 0.39 1.36 1.04 -1.26 -4.12 113.70 114.50 3bga s SER 962 Ca 0.33 1.16 0.07 0.00 0.48 0.00 0.00 55.95 57.99 3bga s SER 962 Cb 0.07 -2.32 0.81 0.00 0.10 0.00 0.00 66.02 64.67 3bga s SER 962 CO 0.12 -0.11 2.00 0.44 0.98 0.00 0.00 173.24 176.67 3bga h ASP 963 N 2.59 0.57 0.55 7.02 5.19 -1.99 -0.77 116.42 129.59 3bga h ASP 963 Ca -0.48 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 3bga h ASP 963 Cb 1.18 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3bga h ASP 963 CO 0.67 0.38 -0.43 0.58 -3.12 0.00 0.00 179.24 177.32 3bga h VAL 964 N 0.66 0.13 -0.77 -1.35 2.07 -1.97 -1.01 116.25 114.01 3bga h VAL 964 Ca 0.25 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 3bga h VAL 964 Cb 0.16 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3bga h VAL 964 CO -0.07 0.00 0.32 0.25 0.02 0.00 0.00 177.57 178.09 3bga h LEU 965 N -0.97 1.05 -0.58 2.57 5.85 -1.89 -1.87 115.31 119.46 3bga h LEU 965 Ca -0.06 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3bga h LEU 965 Cb 0.82 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3bga h LEU 965 CO 0.00 0.92 0.37 0.25 -0.34 0.00 0.00 178.44 179.65 3bga h LEU 966 N 1.10 0.69 -0.47 2.25 5.85 -1.01 -0.34 115.31 123.38 3bga h LEU 966 Ca 0.26 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3bga h LEU 966 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3bga h LEU 966 CO -0.02 0.52 0.05 -0.08 -0.34 0.00 0.00 178.44 178.57 3bga h GLU 967 N 0.79 0.79 -0.35 1.25 4.57 -1.02 -3.21 114.58 117.39 3bga h GLU 967 Ca 0.21 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3bga h GLU 967 Cb -0.06 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3bga h GLU 967 CO -0.04 0.82 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.09 3bga h LYS 968 N 0.65 0.74 -6.77 1.92 3.64 -1.07 -3.45 116.57 112.24 3bga h LYS 968 Ca 0.14 -0.33 -0.53 0.00 -1.27 0.00 0.00 60.65 58.66 3bga h LYS 968 Cb 0.43 -0.02 0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3bga h LYS 968 CO 0.01 0.94 0.74 0.00 -2.27 0.00 0.00 179.45 178.88 3bga s ALA 969 N -4.49 3.60 -0.23 5.00 0.00 -0.16 -4.92 121.76 120.57 3bga s ALA 969 Ca -0.09 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.24 3bga s ALA 969 Cb 0.13 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 3bga s ALA 969 CO 0.84 -0.73 0.21 0.72 0.00 0.00 0.00 175.76 176.80 3bga n HIS 970 N 2.08 0.00 -4.20 0.00 8.25 -1.26 -4.17 115.22 115.92 3bga n HIS 970 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 3bga n HIS 970 Cb 0.40 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 3bga n HIS 970 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3bga s HIS 971 N -1.55 0.74 0.26 4.41 3.76 -1.26 -4.38 115.29 117.27 3bga s HIS 971 Ca 0.02 -0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3bga s HIS 971 Cb 0.04 -0.45 0.55 0.00 1.11 0.00 0.00 32.58 33.82 3bga s HIS 971 CO 0.21 -0.02 1.67 0.82 -0.85 0.00 0.00 174.74 176.57 3bga h ILE 972 N 4.74 0.43 0.00 0.60 1.08 -1.86 -1.58 117.51 120.92 3bga h ILE 972 Ca -0.33 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3bga h ILE 972 Cb 1.19 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3bga h ILE 972 CO 0.46 0.04 0.00 -0.46 -0.69 0.00 0.00 178.15 177.50 3bga n ASN 973 N -5.20 0.15 0.14 1.72 6.94 -1.24 -1.69 115.26 116.08 3bga n ASN 973 Ca 0.17 0.55 0.12 0.00 -0.02 0.00 0.00 54.58 55.40 3bga n ASN 973 Cb 0.54 -0.58 0.24 0.00 -2.36 0.00 0.00 39.78 37.61 3bga n ASN 973 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3bga h GLU 974 N 0.00 0.00 -6.56 -3.83 5.08 -1.65 -3.45 114.58 104.17 3bga h GLU 974 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3bga h GLU 974 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 3bga h GLU 974 CO 0.00 0.00 0.80 -0.51 -1.00 0.00 0.00 179.01 178.30 3bga s LEU 975 N -5.17 4.37 -0.04 1.33 1.43 -0.68 -4.99 118.68 114.93 3bga s LEU 975 Ca 0.07 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 55.60 3bga s LEU 975 Cb 0.10 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.75 3bga s LEU 975 CO 0.67 -0.74 0.08 -0.70 0.23 0.00 0.00 176.35 175.89 3bga s GLU 976 N 1.24 0.06 0.49 1.70 2.12 -1.26 -5.11 118.70 117.94 3bga s GLU 976 Ca 0.67 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 3bga s GLU 976 Cb -0.40 -0.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.83 3bga s GLU 976 CO 0.31 -0.09 0.98 1.03 -0.54 0.00 0.00 175.26 176.95 3bga s ARG 977 N 0.58 3.99 0.00 4.30 0.52 -1.26 -4.81 118.95 122.26 3bga s ARG 977 Ca -0.04 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 3bga s ARG 977 Cb -0.06 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3bga s ARG 977 CO -0.02 -0.24 0.86 -0.40 0.02 0.00 0.00 175.30 175.52 3bga n ASP 978 N -1.32 1.50 -0.02 0.23 5.75 -1.26 -5.13 116.55 116.30 3bga n ASP 978 Ca 0.07 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 3bga n ASP 978 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3bga n ASP 978 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bga n GLY 979 N -0.36 1.50 3.14 6.12 0.00 -1.26 -5.07 105.19 109.26 3bga n GLY 979 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3bga n GLY 979 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bga s ILE 981 N -2.04 0.14 -0.19 -0.61 -4.36 -1.26 -0.35 121.20 112.53 3bga s ILE 981 Ca 0.00 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 3bga s ILE 981 Cb 0.00 -1.04 -0.01 0.00 1.25 0.00 0.00 42.46 42.65 3bga s ILE 981 CO 0.00 -0.63 -0.06 -0.89 0.24 0.00 0.00 174.94 173.60 3bga s THR 982 N -2.97 3.42 -0.13 8.37 2.01 -0.15 -4.32 115.64 121.87 3bga s THR 982 Ca -0.02 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 3bga s THR 982 Cb 0.01 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3bga s THR 982 CO -0.06 0.46 0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 3bga s ILE 983 N 1.01 4.39 -0.10 1.82 -1.09 0.13 -2.36 121.20 125.00 3bga s ILE 983 Ca 0.00 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 3bga s ILE 983 Cb -0.15 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 3bga s ILE 983 CO 0.00 0.54 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.15 3bga s HIS 984 N -0.27 1.58 -0.31 3.97 3.76 -0.83 -2.08 115.29 121.10 3bga s HIS 984 Ca 0.06 -0.74 -0.04 0.00 -0.15 0.00 0.00 55.06 54.20 3bga s HIS 984 Cb -0.12 -1.23 0.04 0.00 1.11 0.00 0.00 32.58 32.38 3bga s HIS 984 CO 0.02 -0.45 0.03 -0.51 -0.85 0.00 0.00 174.74 172.98 3bga s LEU 985 N 1.32 3.94 -0.16 0.89 1.43 0.05 -2.48 118.68 123.66 3bga s LEU 985 Ca -0.02 -1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 3bga s LEU 985 Cb -0.14 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3bga s LEU 985 CO -0.04 -0.26 -0.02 -1.81 0.23 0.00 0.00 176.35 174.44 3bga s ASP 986 N 1.33 4.89 0.14 2.29 1.01 0.13 -0.84 116.67 125.62 3bga s ASP 986 Ca -0.03 -0.11 0.20 0.00 0.71 0.00 0.00 52.55 53.33 3bga s ASP 986 Cb -0.19 -1.80 -0.06 0.00 1.01 0.00 0.00 42.92 41.87 3bga s ASP 986 CO 0.00 0.17 0.93 0.00 0.21 0.00 0.00 175.17 176.48 3bga n ALA 987 N 3.56 2.31 -3.26 5.23 0.00 -0.18 -1.47 120.51 126.71 3bga n ALA 987 Ca -0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 3bga n ALA 987 Cb 0.52 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 3bga n ALA 987 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bga s GLU 988 N -3.20 0.49 -0.28 0.00 0.41 -0.96 -4.88 118.70 110.26 3bga s GLU 988 Ca -0.02 0.37 -0.16 0.00 -0.41 0.00 0.00 54.97 54.75 3bga s GLU 988 Cb 0.09 0.23 0.09 0.00 -1.78 0.00 0.00 34.13 32.76 3bga s GLU 988 CO 0.80 -0.08 0.70 -1.14 -0.49 0.00 0.00 175.26 175.05 3bga s GLN 989 N -0.13 0.69 0.94 1.61 0.74 -1.26 -0.73 119.66 121.52 3bga s GLN 989 Ca -0.03 1.22 -0.11 0.00 0.05 0.00 0.00 55.36 56.49 3bga s GLN 989 Cb -0.03 0.18 0.12 0.00 1.10 0.00 0.00 33.01 34.38 3bga s GLN 989 CO 0.01 -0.15 0.88 0.00 -0.55 0.00 0.00 175.29 175.49 3bga n ALA 990 N 4.36 -1.54 -1.69 1.58 0.00 -0.56 -4.71 120.51 117.95 3bga n ALA 990 Ca -0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 3bga n ALA 990 Cb 0.58 -2.05 0.11 0.00 0.00 0.00 0.00 19.45 18.09 3bga n ALA 990 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 991 N 0.73 -0.96 0.01 0.00 0.00 -0.90 -4.64 105.19 99.43 3bga n GLY 991 Ca 0.10 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.45 3bga n GLY 991 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bga n VAL 992 N -2.88 0.00 -4.16 1.61 0.24 -1.26 -4.92 118.33 106.96 3bga n VAL 992 Ca 0.09 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3bga n VAL 992 Cb 0.33 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3bga n VAL 992 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bga n GLY 993 N 1.62 0.95 2.73 7.63 0.00 -1.26 -4.57 105.19 112.29 3bga n GLY 993 Ca -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 3bga n GLY 993 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bga n THR 994 N 0.00 0.52 0.29 2.61 -2.24 -0.52 -1.70 114.28 113.24 3bga n THR 994 Ca 0.00 -1.85 0.18 0.00 -2.27 0.00 0.00 64.05 60.11 3bga n THR 994 Cb 0.00 1.10 0.89 0.00 -2.10 0.00 0.00 70.33 70.21 3bga n THR 994 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga h ALA 995 N 1.77 1.00 -0.26 6.98 0.00 -1.63 -2.70 119.26 124.43 3bga h ALA 995 Ca -0.31 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3bga h ALA 995 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3bga h ALA 995 CO -0.01 0.00 0.26 1.79 0.00 0.00 0.00 179.25 181.29 3bga h THR 996 N 0.00 0.51 -0.42 0.00 1.35 -1.83 -3.37 112.91 109.15 3bga h THR 996 Ca 0.00 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.99 3bga h THR 996 Cb 0.14 0.80 -0.19 0.00 -1.73 0.00 0.00 68.15 67.18 3bga h THR 996 CO 0.00 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 175.13 3bga n GLY 998 N 4.56 0.48 3.76 0.00 0.00 -1.19 -4.17 105.19 108.63 3bga n GLY 998 Ca 0.08 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3bga n GLY 998 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bga s PRO 999 N -0.50 3.58 0.00 1.61 0.04 -1.26 -4.12 135.00 134.36 3bga s PRO 999 Ca 0.00 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3bga s PRO 999 Cb 0.00 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3bga s PRO 999 CO 0.00 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.60 3bga n GLY 1000N 0.63 -0.22 3.72 0.56 0.00 -1.26 -1.44 105.19 107.17 3bga n GLY 1000Ca 0.06 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3bga n GLY 1000CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bga n VAL 1001N -1.69 0.33 -2.11 1.61 0.31 -1.26 -4.53 118.33 110.99 3bga n VAL 1001Ca 0.00 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 3bga n VAL 1001Cb 0.00 -1.95 0.02 0.00 -0.91 0.00 0.00 33.84 31.00 3bga n VAL 1001CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3bga s LEU 1002N 0.63 3.69 0.23 7.52 1.43 -1.26 -4.87 118.68 126.06 3bga s LEU 1002Ca 0.72 2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 55.93 3bga s LEU 1002Cb -0.51 -4.59 0.27 0.00 0.03 0.00 0.00 46.19 41.39 3bga s LEU 1002CO 0.38 -1.43 1.56 -0.65 0.23 0.00 0.00 176.35 176.44 3bga h PRO 1003N 0.98 -0.02 0.00 1.29 0.11 -1.97 0.21 132.00 132.60 3bga h PRO 1003Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bga h PRO 1003Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bga h PRO 1003CO 0.56 -0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3bga n GLN 1004N -5.50 0.14 -0.05 1.05 0.00 -1.26 -1.68 117.38 110.08 3bga n GLN 1004Ca 0.11 0.15 0.02 0.00 0.00 0.00 0.00 57.00 57.28 3bga n GLN 1004Cb 0.41 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.20 3bga n GLN 1004CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3bga n TYR 1005N -1.20 0.14 -3.25 2.61 4.01 0.06 -5.01 117.16 114.52 3bga n TYR 1005Ca 0.04 -0.49 -0.35 0.00 -0.16 0.00 0.00 57.90 56.94 3bga n TYR 1005Cb 0.05 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 3bga n TYR 1005CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3bga s LEU 1006N -0.98 4.28 0.04 7.72 1.43 -0.67 -2.12 118.68 128.37 3bga s LEU 1006Ca 0.07 1.20 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 3bga s LEU 1006Cb 0.04 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 3bga s LEU 1006CO 0.05 0.02 1.34 -0.69 0.23 0.00 0.00 176.35 177.30 3bga s VAL 1007N -1.60 3.71 0.20 -1.59 1.01 -1.26 -4.94 120.40 115.93 3bga s VAL 1007Ca 0.43 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 3bga s VAL 1007Cb -0.14 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 3bga s VAL 1007CO 0.20 0.04 1.51 -2.84 0.00 0.00 0.00 175.10 174.01 3bga s PRO 1008N 1.76 4.24 -1.02 2.72 0.02 -1.26 -4.94 135.00 136.52 3bga s PRO 1008Ca 0.62 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 63.90 3bga s PRO 1008Cb -0.32 -3.14 0.26 0.00 0.02 0.00 0.00 34.50 31.32 3bga s PRO 1008CO 0.28 -0.53 0.98 0.08 -0.33 0.00 0.00 177.00 177.47 3bga s VAL 1009N 0.67 5.53 0.23 3.83 1.01 -1.26 -4.96 120.40 125.45 3bga s VAL 1009Ca 0.65 -3.39 -0.22 0.00 0.00 0.00 0.00 61.98 59.02 3bga s VAL 1009Cb -0.43 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.63 3bga s VAL 1009CO 0.36 -1.14 0.78 -1.59 0.00 0.00 0.00 175.10 173.52 3bga s LYS 1010N -1.07 1.56 0.05 2.72 -2.85 -1.26 -4.97 119.74 113.92 3bga s LYS 1010Ca 0.28 -0.84 -0.34 0.00 -1.00 0.00 0.00 55.97 54.08 3bga s LYS 1010Cb -0.10 0.55 -0.13 0.00 -2.06 0.00 0.00 37.83 36.09 3bga s LYS 1010CO -0.09 -0.71 1.73 1.17 0.10 0.00 0.00 175.35 177.55 3bga n LYS 1011N -0.45 2.23 -4.03 1.78 4.81 -1.26 -4.69 118.16 116.55 3bga n LYS 1011Ca -0.06 0.81 -0.10 0.00 -0.87 0.00 0.00 58.31 58.09 3bga n LYS 1011Cb 0.60 -2.63 -0.11 0.00 0.02 0.00 0.00 35.03 32.91 3bga n LYS 1011CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3bga s GLN 1012N 2.45 0.45 0.05 1.64 -0.21 -0.64 -5.00 119.66 118.39 3bga s GLN 1012Ca 0.85 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 55.51 3bga s GLN 1012Cb -0.66 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.30 3bga s GLN 1012CO 0.44 -0.02 -0.17 -1.12 -2.12 0.00 0.00 175.29 172.29 3bga s SER 1013N -1.79 2.06 0.01 5.90 0.01 -1.26 -1.16 113.70 117.47 3bga s SER 1013Ca -0.09 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.37 3bga s SER 1013Cb -0.07 -0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.10 3bga s SER 1013CO -0.02 0.08 0.71 0.72 0.41 0.00 0.00 173.24 175.14 3bga s PHE 1014N -0.89 -0.56 0.07 2.43 -0.12 -0.25 -4.99 117.98 113.67 3bga s PHE 1014Ca 0.04 0.73 0.01 0.00 -0.05 0.00 0.00 56.93 57.66 3bga s PHE 1014Cb -0.09 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3bga s PHE 1014CO 0.02 -0.65 -0.05 -1.83 -0.05 0.00 0.00 175.22 172.66 3bga s GLU 1015N -2.18 0.68 -0.08 1.99 -1.05 -1.26 -0.57 118.70 116.22 3bga s GLU 1015Ca -0.05 -1.17 -0.07 0.00 -0.15 0.00 0.00 54.97 53.54 3bga s GLU 1015Cb -0.00 -0.04 0.02 0.00 -0.44 0.00 0.00 34.13 33.67 3bga s GLU 1015CO -0.00 -0.05 0.21 -0.06 0.95 0.00 0.00 175.26 176.31 3bga s PHE 1016N -3.28 -0.23 -0.10 4.83 0.08 -0.94 -4.21 117.98 114.12 3bga s PHE 1016Ca 0.05 0.57 0.02 0.00 0.12 0.00 0.00 56.93 57.69 3bga s PHE 1016Cb 0.03 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.54 3bga s PHE 1016CO -0.06 -0.12 -0.18 0.99 -0.10 0.00 0.00 175.22 175.75 3bga s THR 1017N 0.28 2.64 -0.14 0.64 2.01 0.14 -1.08 115.64 120.13 3bga s THR 1017Ca -0.01 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 3bga s THR 1017Cb -0.03 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3bga s THR 1017CO -0.01 0.55 0.00 -0.76 -0.69 0.00 0.00 174.62 173.71 3bga s LEU 1018N 0.17 3.51 -0.23 4.42 1.43 -0.14 -2.33 118.68 125.52 3bga s LEU 1018Ca -0.10 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3bga s LEU 1018Cb -0.16 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.26 3bga s LEU 1018CO 0.06 0.24 -0.14 -0.31 0.23 0.00 0.00 176.35 176.43 3bga s TYR 1019N -0.04 3.04 0.59 0.29 2.02 0.10 -0.62 117.35 122.73 3bga s TYR 1019Ca 0.03 -1.94 -0.18 0.00 -0.37 0.00 0.00 57.07 54.61 3bga s TYR 1019Cb -0.13 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3bga s TYR 1019CO 0.02 -0.83 1.17 -2.14 -1.57 0.00 0.00 175.55 172.20 3bga s PRO 1020N 1.21 3.02 0.02 -1.71 0.02 -1.26 -0.09 135.00 136.20 3bga s PRO 1020Ca -0.02 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 62.67 3bga s PRO 1020Cb -0.17 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 3bga s PRO 1020CO -0.08 -1.14 0.04 0.14 -0.33 0.00 0.00 177.00 175.63 3bga s VAL 1021N -1.76 0.11 -0.35 3.83 -7.23 -1.03 -4.41 120.40 109.56 3bga s VAL 1021Ca 0.75 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 3bga s VAL 1021Cb -0.27 -0.43 0.13 0.00 0.56 0.00 0.00 36.38 36.37 3bga s VAL 1021CO 0.33 -0.49 0.19 -0.54 -0.31 0.00 0.00 175.10 174.28 3bga s LYS 1022N -1.63 0.61 0.00 4.82 1.02 -1.26 -1.98 119.74 121.32 3bga s LYS 1022Ca -0.14 -1.25 0.26 0.00 0.02 0.00 0.00 55.97 54.85 3bga s LYS 1022Cb -0.08 -1.50 0.60 0.00 -0.52 0.00 0.00 37.83 36.33 3bga s LYS 1022CO -0.01 -1.14 1.47 0.39 -0.92 0.00 0.00 175.35 175.14 3bga n GLU 1023N 4.27 1.00 -0.07 1.68 1.02 -0.08 -4.97 120.64 123.49 3bga n GLU 1023Ca 0.07 -0.66 0.01 0.00 -0.02 0.00 0.00 57.16 56.56 3bga n GLU 1023Cb 0.38 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3bga n GLU 1023CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bga n GLY 1024N 1.35 -2.07 3.45 0.62 0.00 -1.20 -4.83 105.19 102.52 3bga n GLY 1024Ca 0.12 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 3bga n GLY 1024CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bga s HIS 1025N -2.20 3.13 -0.28 1.61 2.46 -1.15 -3.39 115.29 115.47 3bga s HIS 1025Ca 0.00 -0.52 -0.18 0.00 0.47 0.00 0.00 55.06 54.83 3bga s HIS 1025Cb 0.00 -3.23 -0.02 0.00 -0.13 0.00 0.00 32.58 29.19 3bga s HIS 1025CO 0.00 -0.86 0.50 -1.01 -2.47 0.00 0.00 174.74 170.90 3bga s HIS 1026N 2.29 3.25 -0.01 3.88 3.76 -1.26 -5.06 115.29 122.14 3bga s HIS 1026Ca 0.12 0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 55.42 3bga s HIS 1026Cb -0.19 -2.75 -0.06 0.00 1.11 0.00 0.00 32.58 30.70 3bga s HIS 1026CO 0.12 -0.32 0.44 -1.01 -0.85 0.00 0.00 174.74 173.12 3bga s HIS 1027N 2.31 3.70 -0.02 1.40 3.76 -1.26 -5.05 115.29 120.13 3bga s HIS 1027Ca 0.20 1.01 -0.30 0.00 -0.15 0.00 0.00 55.06 55.82 3bga s HIS 1027Cb -0.16 -2.37 0.11 0.00 1.11 0.00 0.00 32.58 31.28 3bga s HIS 1027CO 0.10 0.55 1.17 -3.38 -0.85 0.00 0.00 174.74 172.33 3bga s HIS 1028N -0.77 -0.11 -2.00 1.40 -0.00 -1.26 -5.34 115.29 107.21 3bga s HIS 1028Ca 0.25 -0.03 0.19 0.00 -0.00 0.00 0.00 55.06 55.47 3bga s HIS 1028Cb -0.17 0.56 1.13 0.00 -0.00 0.00 0.00 32.58 34.10 3bga s HIS 1028CO 0.14 -0.40 1.52 0.72 -0.00 0.00 0.00 174.74 176.72