#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bya s VAL 17 N 0.00 5.41 -0.54 1.39 1.01 0.65 -4.03 120.40 124.29 2bya s VAL 17 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2bya s VAL 17 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2bya s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2bya n GLY 18 N 3.28 0.77 0.00 4.51 0.00 -1.24 -1.45 105.19 111.06 2bya n GLY 18 Ca -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2bya n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bya n GLY 19 N -2.36 1.70 3.09 -0.02 0.00 -1.26 -4.85 105.19 101.49 2bya n GLY 19 Ca -0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 2bya n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bya s TYR 20 N 2.20 0.44 -0.09 1.61 1.13 0.27 -4.95 117.35 117.96 2bya s TYR 20 Ca 0.00 -0.93 -0.30 0.00 -1.41 0.00 0.00 57.07 54.43 2bya s TYR 20 Cb 0.00 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2bya s TYR 20 CO 0.00 -0.37 1.49 0.99 -2.51 0.00 0.00 175.55 175.15 2bya s THR 21 N -3.56 3.86 0.13 -3.49 2.01 -1.26 -0.52 115.64 112.81 2bya s THR 21 Ca 0.04 1.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 2bya s THR 21 Cb 0.05 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2bya s THR 21 CO -0.09 -0.09 1.74 0.00 -0.69 0.00 0.00 174.62 175.49 2bya n GLY 23 N -1.00 2.58 3.70 0.00 0.00 -1.26 -4.84 105.19 104.37 2bya n GLY 23 Ca -0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2bya n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bya s ALA 24 N -1.10 3.82 -1.82 4.61 0.00 -1.26 -2.40 121.76 123.60 2bya s ALA 24 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2bya s ALA 24 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2bya s ALA 24 CO 0.00 -1.15 0.00 0.09 0.00 0.00 0.00 175.76 174.70 2bya n ASN 25 N 5.22 -5.34 -0.12 0.00 3.02 -1.26 -4.86 115.26 111.92 2bya n ASN 25 Ca 0.17 0.25 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 2bya n ASN 25 Cb 0.37 -4.45 0.49 0.00 -0.61 0.00 0.00 39.78 35.58 2bya n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2bya n THR 26 N -3.14 0.00 -3.57 3.41 -2.24 -1.01 -4.25 114.28 103.48 2bya n THR 26 Ca -0.20 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 2bya n THR 26 Cb 0.64 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 2bya n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2bya n VAL 27 N -1.02 0.72 0.52 2.28 0.31 -1.26 -4.99 118.33 114.89 2bya n VAL 27 Ca 0.12 -4.45 0.12 0.00 -0.01 0.00 0.00 64.34 60.12 2bya n VAL 27 Cb 0.31 -2.00 0.45 0.00 -0.91 0.00 0.00 33.84 31.70 2bya n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bya n PRO 28 N 1.88 0.17 0.00 5.55 -0.04 -1.26 -1.65 135.00 139.65 2bya n PRO 28 Ca 0.25 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 2bya n PRO 28 Cb 0.42 -1.77 0.27 0.00 -0.04 0.00 0.00 33.50 32.38 2bya n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2bya n TYR 29 N -2.08 0.00 -2.38 0.54 0.18 -1.14 -2.12 117.16 110.17 2bya n TYR 29 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 2bya n TYR 29 Cb 0.28 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 39.03 2bya n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2bya s GLN 30 N -2.79 4.41 0.22 -3.48 2.00 -0.66 -0.96 119.66 118.40 2bya s GLN 30 Ca 0.16 1.82 0.11 0.00 -2.00 0.00 0.00 55.36 55.46 2bya s GLN 30 Cb 0.18 -3.33 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 2bya s GLN 30 CO 0.64 -0.28 -0.22 0.14 -0.50 0.00 0.00 175.29 175.06 2bya s VAL 31 N 1.04 2.37 -0.16 1.34 -7.23 -0.25 -4.47 120.40 113.03 2bya s VAL 31 Ca 0.60 -2.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2bya s VAL 31 Cb -0.31 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2bya s VAL 31 CO 0.30 -0.23 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.31 2bya s SER 32 N -2.97 5.08 -0.18 4.85 0.15 -0.57 -2.24 113.70 117.83 2bya s SER 32 Ca 0.24 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.65 2bya s SER 32 Cb -0.07 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2bya s SER 32 CO 0.11 0.17 0.49 -0.76 1.20 0.00 0.00 173.24 174.45 2bya s LEU 33 N 0.35 4.19 -0.06 3.45 1.43 0.11 -0.69 118.68 127.45 2bya s LEU 33 Ca -0.02 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2bya s LEU 33 Cb -0.14 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2bya s LEU 33 CO 0.02 -0.11 -0.18 0.21 0.23 0.00 0.00 176.35 176.52 2bya s ASN 34 N 0.98 2.36 -0.35 2.29 2.47 -0.12 -1.29 114.94 121.27 2bya s ASN 34 Ca 0.24 -0.40 0.13 0.00 0.42 0.00 0.00 52.86 53.24 2bya s ASN 34 Cb -0.15 -0.89 0.45 0.00 -1.45 0.00 0.00 41.25 39.21 2bya s ASN 34 CO 0.09 0.13 1.06 -1.54 -3.72 0.00 0.00 177.10 173.13 2bya n SER 37 N 3.42 3.08 0.00 -4.21 3.41 -1.26 -0.74 113.62 117.31 2bya n SER 37 Ca -0.20 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 2bya n SER 37 Cb 0.52 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2bya n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bya n GLY 38 N -0.38 0.52 3.58 5.00 0.00 -1.26 -5.02 105.19 107.63 2bya n GLY 38 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 2bya n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bya s TYR 39 N -2.04 -0.24 0.24 1.61 -0.85 -1.26 -5.14 117.35 109.66 2bya s TYR 39 Ca 0.00 0.33 -0.31 0.00 -0.52 0.00 0.00 57.07 56.58 2bya s TYR 39 Cb 0.00 0.49 -0.11 0.00 0.38 0.00 0.00 41.96 42.72 2bya s TYR 39 CO 0.00 -0.28 1.55 -1.58 -1.52 0.00 0.00 175.55 173.73 2bya s HIS 40 N -1.67 2.93 0.00 -3.49 5.65 -1.26 -4.18 115.29 113.27 2bya s HIS 40 Ca 0.04 0.78 0.00 0.00 0.25 0.00 0.00 55.06 56.13 2bya s HIS 40 Cb -0.01 -3.96 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 2bya s HIS 40 CO -0.03 -3.33 0.00 1.97 -0.65 0.00 0.00 174.74 172.70 2bya n PHE 41 N 2.85 0.00 -3.48 3.88 -1.74 -0.41 -4.96 117.46 113.60 2bya n PHE 41 Ca 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.88 2bya n PHE 41 Cb 0.38 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.36 2bya n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bya s GLY 43 N -2.32 1.76 0.15 0.00 0.00 0.37 -0.71 107.32 106.57 2bya s GLY 43 Ca 0.02 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 2bya s GLY 43 CO -0.08 -1.13 1.06 -0.32 0.00 0.00 0.00 173.10 172.63 2bya s GLY 44 N -4.74 -0.04 -0.06 0.20 0.00 -0.95 -3.75 107.32 97.98 2bya s GLY 44 Ca 0.67 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 45.30 2bya s GLY 44 CO 0.45 1.79 -0.10 -0.56 0.00 0.00 0.00 173.10 174.68 2bya s SER 45 N -3.27 1.53 -0.16 1.64 0.01 -0.27 -1.09 113.70 112.08 2bya s SER 45 Ca 0.19 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 2bya s SER 45 Cb -0.01 -0.71 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 2bya s SER 45 CO 0.03 0.00 1.09 -0.22 0.41 0.00 0.00 173.24 174.55 2bya s LEU 46 N 0.76 4.18 0.00 2.44 2.96 -0.14 -0.82 118.68 128.05 2bya s LEU 46 Ca -0.13 1.53 0.08 0.00 -0.22 0.00 0.00 54.13 55.39 2bya s LEU 46 Cb -0.15 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2bya s LEU 46 CO 0.02 -0.61 0.36 2.30 -1.32 0.00 0.00 176.35 177.10 2bya n ILE 47 N 5.03 0.00 -3.72 6.68 -5.35 -0.32 -0.82 119.36 120.86 2bya n ILE 47 Ca 0.11 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 2bya n ILE 47 Cb 0.47 1.00 0.02 0.00 -1.74 0.00 0.00 39.64 39.39 2bya n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2bya n ASN 48 N -1.18 -1.59 0.27 7.28 0.23 -1.19 -4.62 115.26 114.46 2bya n ASN 48 Ca 0.02 -1.97 0.18 0.00 -0.53 0.00 0.00 54.58 52.27 2bya n ASN 48 Cb 0.13 2.61 0.92 0.00 -2.08 0.00 0.00 39.78 41.36 2bya n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2bya h SER 49 N 1.57 0.00 0.00 0.53 4.64 -1.96 -3.12 113.55 115.21 2bya h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2bya h SER 49 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2bya h SER 49 CO 0.31 0.00 -0.03 1.67 -0.87 0.00 0.00 176.83 177.91 2bya n GLN 50 N -2.81 1.45 -4.12 4.77 7.27 -1.26 -0.16 117.38 122.51 2bya n GLN 50 Ca -0.02 -1.11 -0.16 0.00 0.07 0.00 0.00 57.00 55.79 2bya n GLN 50 Cb 0.12 -0.79 -0.14 0.00 2.41 0.00 0.00 30.24 31.83 2bya n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bya s TRP 51 N -0.63 0.42 0.00 3.69 0.52 -1.18 -0.95 118.94 120.82 2bya s TRP 51 Ca 0.02 -0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.14 2bya s TRP 51 Cb 0.02 -0.29 -0.02 0.00 -1.15 0.00 0.00 33.47 32.03 2bya s TRP 51 CO 0.00 -0.02 -0.26 0.08 0.02 0.00 0.00 176.95 176.78 2bya s VAL 52 N -0.03 2.11 -0.08 4.03 1.01 0.03 -1.17 120.40 126.30 2bya s VAL 52 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2bya s VAL 52 Cb -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2bya s VAL 52 CO -0.00 0.51 -0.13 0.54 0.00 0.00 0.00 175.10 176.02 2bya s VAL 53 N -0.68 3.13 0.00 2.92 0.11 -0.00 -0.71 120.40 125.17 2bya s VAL 53 Ca 0.11 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2bya s VAL 53 Cb -0.10 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 2bya s VAL 53 CO 0.00 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10 2bya n SER 54 N 2.68 0.00 -4.83 3.54 2.88 -0.57 -1.12 113.62 116.21 2bya n SER 54 Ca -0.18 -0.97 -0.36 0.00 -1.33 0.00 0.00 58.87 56.03 2bya n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2bya n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bya s ALA 55 N -1.91 3.54 0.44 -1.46 0.00 -1.26 -1.11 121.76 120.01 2bya s ALA 55 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.04 2bya s ALA 55 Cb 0.00 -2.62 0.98 0.00 0.00 0.00 0.00 23.12 21.47 2bya s ALA 55 CO 0.00 0.41 2.07 0.00 0.00 0.00 0.00 175.76 178.24 2bya h ALA 56 N 3.72 1.77 0.00 0.00 0.00 -1.68 -1.41 119.26 121.66 2bya h ALA 56 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2bya h ALA 56 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bya h ALA 56 CO 0.65 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 2bya n HIS 57 N -4.47 0.00 1.59 0.00 1.44 -1.26 -1.32 115.22 111.21 2bya n HIS 57 Ca 0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.86 2bya n HIS 57 Cb 0.10 -0.40 0.61 0.00 0.12 0.00 0.00 29.99 30.42 2bya n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bya n TYR 59 N -0.08 2.78 -3.62 0.00 9.36 -0.43 -4.99 117.16 120.18 2bya n TYR 59 Ca 0.20 0.24 -0.09 0.00 3.32 0.00 0.00 57.90 61.57 2bya n TYR 59 Cb 0.31 -2.60 -0.02 0.00 -0.63 0.00 0.00 39.34 36.40 2bya n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2bya s LYS 60 N -0.26 1.36 0.57 2.98 -2.85 -1.26 -5.14 119.74 115.13 2bya s LYS 60 Ca 0.66 -0.64 -0.08 0.00 -1.00 0.00 0.00 55.97 54.91 2bya s LYS 60 Cb -0.51 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 2bya s LYS 60 CO 0.46 -0.61 0.93 -1.54 0.10 0.00 0.00 175.35 174.70 2bya s SER 61 N -2.79 6.13 -0.63 0.03 1.04 -1.26 -4.46 113.70 111.76 2bya s SER 61 Ca 0.06 1.16 -0.04 0.00 0.48 0.00 0.00 55.95 57.62 2bya s SER 61 Cb -0.03 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2bya s SER 61 CO -0.04 -0.81 0.50 0.61 0.98 0.00 0.00 173.24 174.48 2bya n GLY 62 N -2.58 0.25 3.74 7.32 0.00 -1.26 -5.00 105.19 107.66 2bya n GLY 62 Ca 0.04 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2bya n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bya s ILE 63 N -3.10 4.63 -0.17 -0.61 1.01 -1.26 -4.60 121.20 117.10 2bya s ILE 63 Ca 0.25 1.85 -0.04 0.00 0.00 0.00 0.00 60.65 62.70 2bya s ILE 63 Cb -0.11 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2bya s ILE 63 CO 0.31 0.34 -0.02 -1.58 0.00 0.00 0.00 174.94 173.99 2bya s GLN 64 N 0.01 3.69 -0.11 2.79 0.74 0.08 -1.18 119.66 125.67 2bya s GLN 64 Ca 0.43 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 55.15 2bya s GLN 64 Cb -0.22 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 2bya s GLN 64 CO 0.26 0.18 0.50 0.08 -0.55 0.00 0.00 175.29 175.76 2bya s VAL 65 N 0.55 5.17 -0.29 1.34 1.01 0.27 -0.95 120.40 127.51 2bya s VAL 65 Ca -0.02 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2bya s VAL 65 Cb -0.14 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2bya s VAL 65 CO 0.02 0.32 -0.02 -0.13 0.00 0.00 0.00 175.10 175.30 2bya s ARG 66 N 0.62 2.52 0.29 2.72 0.52 0.14 -1.03 118.95 124.73 2bya s ARG 66 Ca 0.27 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 2bya s ARG 66 Cb -0.15 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2bya s ARG 66 CO 0.11 -0.57 0.42 -0.51 0.02 0.00 0.00 175.30 174.78 2bya s LEU 67 N 1.27 4.14 -1.27 2.53 2.01 0.39 -1.52 118.68 126.23 2bya s LEU 67 Ca -0.04 -0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.09 2bya s LEU 67 Cb -0.19 -2.85 0.00 0.00 0.01 0.00 0.00 46.19 43.16 2bya s LEU 67 CO -0.02 -0.25 0.00 0.61 1.01 0.00 0.00 176.35 177.70 2bya n GLY 69 N -1.55 1.28 3.80 -3.19 0.00 -1.26 -0.61 105.19 103.67 2bya n GLY 69 Ca -0.05 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 2bya n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bya s GLU 70 N -2.94 4.38 0.00 1.61 0.41 -1.26 -3.75 118.70 117.15 2bya s GLU 70 Ca 0.00 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.52 2bya s GLU 70 Cb 0.00 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 2bya s GLU 70 CO 0.00 0.57 0.00 -3.47 -0.49 0.00 0.00 175.26 171.87 2bya n ASP 71 N 1.48 0.00 -4.63 -0.19 2.03 -1.26 -4.56 116.55 109.42 2bya n ASP 71 Ca -0.07 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 2bya n ASP 71 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 2bya n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2bya s ASN 72 N 0.66 6.67 0.00 1.67 3.84 -1.25 -3.55 114.94 122.98 2bya s ASN 72 Ca 0.00 1.20 0.27 0.00 0.21 0.00 0.00 52.86 54.53 2bya s ASN 72 Cb 0.00 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.55 2bya s ASN 72 CO 0.00 -1.08 1.92 2.30 -2.79 0.00 0.00 177.10 177.44 2bya n ILE 73 N 6.22 0.12 0.48 -5.21 -5.35 -0.33 -2.97 119.36 112.32 2bya n ILE 73 Ca 0.15 0.03 0.07 0.00 -0.27 0.00 0.00 62.75 62.73 2bya n ILE 73 Cb 0.47 -0.59 0.08 0.00 -1.74 0.00 0.00 39.64 37.85 2bya n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2bya n ASN 74 N -1.24 2.32 -3.90 7.28 3.02 -1.26 -4.97 115.26 116.51 2bya n ASN 74 Ca 0.14 -1.65 -0.18 0.00 -0.03 0.00 0.00 54.58 52.87 2bya n ASN 74 Cb 0.19 -0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.17 2bya n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bya s VAL 75 N -1.16 0.39 -0.35 2.41 1.01 -1.16 -5.11 120.40 116.44 2bya s VAL 75 Ca 0.18 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 2bya s VAL 75 Cb 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2bya s VAL 75 CO 0.18 0.16 0.96 -0.69 0.00 0.00 0.00 175.10 175.71 2bya s VAL 76 N 0.54 4.58 -0.56 2.92 1.01 -1.26 -4.69 120.40 122.94 2bya s VAL 76 Ca -0.06 1.38 0.12 0.00 0.00 0.00 0.00 61.98 63.42 2bya s VAL 76 Cb -0.10 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.81 2bya s VAL 76 CO -0.00 -0.49 0.50 -0.62 0.00 0.00 0.00 175.10 174.49 2bya n GLU 77 N 6.75 3.04 0.00 2.72 1.02 -1.26 -5.02 120.64 127.89 2bya n GLU 77 Ca 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2bya n GLU 77 Cb 0.48 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2bya n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bya n GLY 78 N 1.29 1.47 0.32 0.62 0.00 -1.26 -4.98 105.19 102.63 2bya n GLY 78 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2bya n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bya n ASN 79 N 0.00 2.25 -4.78 1.61 3.02 -1.26 -5.05 115.26 111.05 2bya n ASN 79 Ca 0.00 -1.82 -0.36 0.00 -0.03 0.00 0.00 54.58 52.38 2bya n ASN 79 Cb 0.00 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 2bya n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bya s GLU 80 N -0.88 3.77 -0.10 3.52 8.01 -1.25 -4.30 118.70 127.48 2bya s GLU 80 Ca 0.11 1.58 0.01 0.00 0.01 0.00 0.00 54.97 56.68 2bya s GLU 80 Cb 0.06 -2.28 0.02 0.00 -4.31 0.00 0.00 34.13 27.62 2bya s GLU 80 CO 0.08 -0.50 -0.11 -0.65 0.01 0.00 0.00 175.26 174.10 2bya s GLN 81 N -2.91 1.75 -0.24 1.61 -0.21 0.22 -4.96 119.66 114.92 2bya s GLN 81 Ca 0.65 -0.38 -0.05 0.00 0.02 0.00 0.00 55.36 55.60 2bya s GLN 81 Cb -0.23 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 2bya s GLN 81 CO 0.28 -0.12 0.01 -0.06 -2.12 0.00 0.00 175.29 173.28 2bya s PHE 82 N 1.18 3.03 -0.06 0.91 0.08 -1.26 -0.46 117.98 121.40 2bya s PHE 82 Ca -0.04 -0.83 -0.00 0.00 0.12 0.00 0.00 56.93 56.17 2bya s PHE 82 Cb -0.14 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2bya s PHE 82 CO -0.03 -0.51 -0.01 0.42 -0.10 0.00 0.00 175.22 174.99 2bya s ILE 83 N 1.51 0.42 0.53 0.64 1.01 -0.20 -4.99 121.20 120.13 2bya s ILE 83 Ca 0.05 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 2bya s ILE 83 Cb -0.15 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2bya s ILE 83 CO -0.00 0.24 1.20 -0.44 0.00 0.00 0.00 174.94 175.94 2bya s SER 84 N 1.58 5.63 0.26 3.58 0.01 -1.26 -0.57 113.70 122.93 2bya s SER 84 Ca -0.01 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.33 2bya s SER 84 Cb -0.13 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 2bya s SER 84 CO -0.03 -1.29 1.06 0.00 0.41 0.00 0.00 173.24 173.38 2bya s ALA 85 N -1.57 3.39 -0.16 1.44 0.00 -0.32 -0.86 121.76 123.67 2bya s ALA 85 Ca 0.71 0.82 0.21 0.00 0.00 0.00 0.00 51.96 53.70 2bya s ALA 85 Cb -0.30 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 2bya s ALA 85 CO 0.34 -0.08 0.80 -1.13 0.00 0.00 0.00 175.76 175.69 2bya n SER 86 N 1.42 0.61 -3.50 0.00 3.41 0.42 -4.74 113.62 111.24 2bya n SER 86 Ca -0.01 0.25 -0.17 0.00 -0.26 0.00 0.00 58.87 58.69 2bya n SER 86 Cb 0.45 0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 65.10 2bya n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2bya s LYS 87 N -3.22 1.08 0.09 4.33 2.20 -1.23 -5.01 119.74 117.97 2bya s LYS 87 Ca -0.03 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2bya s LYS 87 Cb 0.10 0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 36.89 2bya s LYS 87 CO 0.83 -0.36 -0.07 -1.54 -0.36 0.00 0.00 175.35 173.84 2bya s SER 88 N -1.47 1.10 -0.26 1.43 1.04 -1.26 -1.45 113.70 112.83 2bya s SER 88 Ca -0.08 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 2bya s SER 88 Cb -0.00 0.09 0.10 0.00 0.10 0.00 0.00 66.02 66.31 2bya s SER 88 CO 0.05 -0.43 0.19 -0.63 0.98 0.00 0.00 173.24 173.40 2bya s ILE 89 N -3.32 -0.21 0.36 -1.02 1.01 0.75 -4.99 121.20 113.77 2bya s ILE 89 Ca 0.09 -0.50 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2bya s ILE 89 Cb 0.03 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.54 2bya s ILE 89 CO -0.04 -0.51 1.11 -0.69 0.00 0.00 0.00 174.94 174.81 2bya s VAL 90 N 2.22 3.45 0.33 2.92 1.01 -1.26 -0.89 120.40 128.17 2bya s VAL 90 Ca 0.08 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 2bya s VAL 90 Cb -0.15 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 2bya s VAL 90 CO -0.28 0.15 1.11 1.57 0.00 0.00 0.00 175.10 177.65 2bya n HIS 91 N 0.41 1.60 0.17 5.22 -0.00 -0.63 -4.83 115.22 117.16 2bya n HIS 91 Ca 0.03 0.62 0.13 0.00 0.46 0.00 0.00 57.72 58.95 2bya n HIS 91 Cb 0.47 -2.30 0.67 0.00 -0.12 0.00 0.00 29.99 28.70 2bya n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2bya h PRO 92 N 2.09 0.00 -0.36 1.57 0.13 -1.93 -2.09 132.00 131.41 2bya h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2bya h PRO 92 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2bya h PRO 92 CO 0.60 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.80 2bya n SER 93 N -4.45 3.86 -4.70 1.44 7.64 -1.26 -5.01 113.62 111.14 2bya n SER 93 Ca 0.01 -2.66 -0.44 0.00 1.01 0.00 0.00 58.87 56.80 2bya n SER 93 Cb 0.27 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 2bya n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bya n TYR 94 N 0.06 2.54 -4.03 1.43 9.36 -0.79 -4.67 117.16 121.06 2bya n TYR 94 Ca 0.20 0.22 -0.33 0.00 3.32 0.00 0.00 57.90 61.30 2bya n TYR 94 Cb 0.78 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 36.76 2bya n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2bya s ASN 95 N 0.79 4.12 0.24 2.98 3.84 -0.71 -5.01 114.94 121.19 2bya s ASN 95 Ca 0.72 -1.01 0.25 0.00 0.21 0.00 0.00 52.86 53.04 2bya s ASN 95 Cb -0.58 -1.59 0.90 0.00 -0.55 0.00 0.00 41.25 39.43 2bya s ASN 95 CO 0.41 -0.13 1.75 -1.54 -2.79 0.00 0.00 177.10 174.80 2bya n SER 96 N 4.58 0.75 0.00 -4.21 3.41 -1.26 -0.07 113.62 116.82 2bya n SER 96 Ca -0.17 0.62 -0.17 0.00 -0.26 0.00 0.00 58.87 58.90 2bya n SER 96 Cb 0.46 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 2bya n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2bya h ASN 97 N 0.00 0.38 0.41 4.04 2.35 -1.97 -3.36 115.58 117.42 2bya h ASN 97 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 2bya h ASN 97 Cb 0.55 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2bya h ASN 97 CO 0.00 1.18 -1.17 0.35 -1.65 0.00 0.00 177.43 176.14 2bya n THR 98 N -4.31 0.18 -1.48 2.81 -2.24 -1.18 -4.96 114.28 103.10 2bya n THR 98 Ca -0.11 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 2bya n THR 98 Cb 0.65 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 2bya n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bya n LEU 99 N -2.06 -1.16 -4.75 3.22 4.77 0.89 -4.99 117.00 112.92 2bya n LEU 99 Ca 0.01 0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 2bya n LEU 99 Cb 0.46 -2.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.07 2bya n LEU 99 CO 0.41 -0.91 1.01 0.21 -1.33 0.00 0.00 177.39 176.79 2bya s ASN 100 N -2.78 6.80 -0.89 -1.43 2.47 -1.20 -3.02 114.94 114.90 2bya s ASN 100 Ca 0.00 2.56 -0.02 0.00 0.42 0.00 0.00 52.86 55.82 2bya s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2bya s ASN 100 CO 0.00 -0.57 0.75 0.59 -3.72 0.00 0.00 177.10 174.15 2bya n ASN 101 N 1.98 -2.94 -4.07 -4.21 3.02 -1.26 -1.74 115.26 106.04 2bya n ASN 101 Ca 0.04 -0.42 -0.43 0.00 -0.03 0.00 0.00 54.58 53.74 2bya n ASN 101 Cb 0.42 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2bya n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2bya n ASP 102 N -2.28 4.68 -3.77 6.41 2.03 -1.17 -4.24 116.55 118.22 2bya n ASP 102 Ca -0.14 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 2bya n ASP 102 Cb 0.60 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 2bya n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bya s ILE 103 N 2.31 0.01 0.11 5.18 2.07 -1.26 -3.85 121.20 125.77 2bya s ILE 103 Ca 0.46 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 2bya s ILE 103 Cb 0.08 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2bya s ILE 103 CO -0.01 -0.04 0.07 0.00 -1.91 0.00 0.00 174.94 173.05 2bya s MET 104 N -0.04 0.87 0.02 3.50 0.23 -0.26 -1.60 119.30 122.01 2bya s MET 104 Ca -0.02 -1.32 0.07 0.00 -1.03 0.00 0.00 55.69 53.39 2bya s MET 104 Cb -0.03 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 2bya s MET 104 CO 0.01 -0.24 -0.20 -0.51 -2.03 0.00 0.00 175.02 172.05 2bya s LEU 105 N -2.99 2.47 -0.10 0.18 1.43 -0.07 -1.51 118.68 118.09 2bya s LEU 105 Ca 0.18 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2bya s LEU 105 Cb 0.07 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.85 2bya s LEU 105 CO -0.02 0.28 -0.11 -0.63 0.23 0.00 0.00 176.35 176.10 2bya s ILE 106 N -0.83 1.17 -0.11 -0.59 1.01 0.12 -0.18 121.20 121.78 2bya s ILE 106 Ca 0.13 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 2bya s ILE 106 Cb -0.10 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2bya s ILE 106 CO 0.03 0.38 0.29 -0.75 0.00 0.00 0.00 174.94 174.89 2bya s LYS 107 N 1.23 4.00 0.23 2.79 2.20 -0.53 -0.79 119.74 128.87 2bya s LYS 107 Ca -0.03 0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.43 2bya s LYS 107 Cb -0.14 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 2bya s LYS 107 CO -0.03 0.47 0.88 -0.51 -0.36 0.00 0.00 175.35 175.80 2bya s LEU 108 N -0.25 4.57 0.49 5.43 1.43 -0.12 -0.43 118.68 129.80 2bya s LEU 108 Ca 0.18 1.82 0.16 0.00 -1.03 0.00 0.00 54.13 55.26 2bya s LEU 108 Cb -0.14 -3.58 1.18 0.00 0.03 0.00 0.00 46.19 43.69 2bya s LEU 108 CO 0.06 0.13 2.08 0.11 0.23 0.00 0.00 176.35 178.97 2bya h LYS 109 N 4.02 0.00 -4.41 1.70 1.57 -1.29 -3.43 116.57 114.72 2bya h LYS 109 Ca -0.46 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.12 2bya h LYS 109 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 2bya h LYS 109 CO 0.67 0.08 -0.70 -1.54 -0.57 0.00 0.00 179.45 177.39 2bya s SER 110 N -6.98 0.75 0.20 0.86 1.04 -1.26 -5.01 113.70 103.30 2bya s SER 110 Ca -0.04 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 2bya s SER 110 Cb 0.16 0.11 -0.08 0.00 0.10 0.00 0.00 66.02 66.31 2bya s SER 110 CO 0.67 -0.41 1.22 0.00 0.98 0.00 0.00 173.24 175.71 2bya s ALA 111 N -2.78 3.46 0.57 5.32 0.00 -1.26 -4.83 121.76 122.24 2bya s ALA 111 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 2bya s ALA 111 Cb -0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2bya s ALA 111 CO -0.04 -0.41 1.20 0.00 0.00 0.00 0.00 175.76 176.50 2bya s ALA 112 N -0.11 2.62 -0.45 0.00 0.00 0.77 -4.99 121.76 119.60 2bya s ALA 112 Ca 0.53 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 2bya s ALA 112 Cb -0.34 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.37 2bya s ALA 112 CO 0.38 -1.06 0.74 -1.12 0.00 0.00 0.00 175.76 174.70 2bya s SER 113 N -1.57 6.39 -0.04 0.00 0.01 -1.26 -4.85 113.70 112.38 2bya s SER 113 Ca 0.75 -0.18 -0.16 0.00 1.31 0.00 0.00 55.95 57.68 2bya s SER 113 Cb -0.30 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2bya s SER 113 CO 0.33 -0.87 0.44 -0.76 0.41 0.00 0.00 173.24 172.78 2bya s LEU 114 N 3.14 4.41 0.00 2.44 1.43 -1.26 -4.81 118.68 124.04 2bya s LEU 114 Ca 0.28 0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2bya s LEU 114 Cb -0.13 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.49 2bya s LEU 114 CO 0.21 0.21 0.45 -0.46 0.23 0.00 0.00 176.35 177.00 2bya n ASN 115 N 2.45 -1.05 -0.20 2.29 0.23 -0.74 -5.03 115.26 113.21 2bya n ASN 115 Ca -0.11 -1.66 0.02 0.00 -0.53 0.00 0.00 54.58 52.29 2bya n ASN 115 Cb 0.52 1.73 0.27 0.00 -2.08 0.00 0.00 39.78 40.23 2bya n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2bya h SER 116 N 1.00 0.81 1.22 0.53 4.64 -2.00 -3.03 113.55 116.72 2bya h SER 116 Ca -0.16 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2bya h SER 116 Cb 0.62 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2bya h SER 116 CO 0.20 0.58 -0.75 0.03 -0.87 0.00 0.00 176.83 176.01 2bya h ARG 117 N 0.95 0.00 -3.93 4.77 3.08 -1.93 -3.42 114.38 113.89 2bya h ARG 117 Ca 0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.79 2bya h ARG 117 Cb -0.05 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.62 2bya h ARG 117 CO -0.07 0.00 -0.78 0.08 -1.07 0.00 0.00 179.97 178.13 2bya s VAL 118 N -3.32 0.90 -0.02 2.04 1.01 -1.15 -4.51 120.40 115.36 2bya s VAL 118 Ca 0.02 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2bya s VAL 118 Cb 0.09 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2bya s VAL 118 CO 0.76 -0.02 0.33 0.00 0.00 0.00 0.00 175.10 176.17 2bya s ALA 119 N 1.70 -0.84 0.66 5.51 0.00 -0.90 -1.79 121.76 126.11 2bya s ALA 119 Ca -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 2bya s ALA 119 Cb -0.16 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2bya s ALA 119 CO -0.07 -0.27 1.05 -1.54 0.00 0.00 0.00 175.76 174.93 2bya s SER 120 N -1.31 5.63 -0.09 0.00 1.04 -1.26 -2.87 113.70 114.84 2bya s SER 120 Ca -0.13 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 2bya s SER 120 Cb -0.05 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2bya s SER 120 CO 0.05 -1.27 -0.04 -0.51 0.98 0.00 0.00 173.24 172.45 2bya s ILE 121 N -2.99 3.97 0.41 -1.02 1.10 -0.00 -4.86 121.20 117.81 2bya s ILE 121 Ca 0.58 -0.37 -0.26 0.00 -0.51 0.00 0.00 60.65 60.10 2bya s ILE 121 Cb -0.13 -2.67 -0.08 0.00 0.15 0.00 0.00 42.46 39.73 2bya s ILE 121 CO 0.52 0.58 1.30 -0.44 -2.11 0.00 0.00 174.94 174.78 2bya s SER 122 N -0.58 6.26 0.48 4.50 0.01 -1.26 -4.58 113.70 118.53 2bya s SER 122 Ca 0.09 2.63 -0.19 0.00 1.31 0.00 0.00 55.95 59.80 2bya s SER 122 Cb -0.12 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 2bya s SER 122 CO 0.02 -0.88 0.99 -0.76 0.41 0.00 0.00 173.24 173.01 2bya s LEU 123 N -2.52 3.78 0.54 2.44 1.43 -1.26 -0.92 118.68 122.18 2bya s LEU 123 Ca 0.58 1.70 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 2bya s LEU 123 Cb -0.37 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.26 2bya s LEU 123 CO 0.48 -0.58 1.11 -2.16 0.23 0.00 0.00 176.35 175.43 2bya s PRO 124 N -3.57 3.39 -0.02 1.29 0.04 -1.26 -4.78 135.00 130.09 2bya s PRO 124 Ca 0.62 1.53 0.19 0.00 0.04 0.00 0.00 61.00 63.38 2bya s PRO 124 Cb -0.11 -2.02 -0.27 0.00 0.04 0.00 0.00 34.50 32.14 2bya s PRO 124 CO 0.22 -0.81 0.52 0.25 0.04 0.00 0.00 177.00 177.23 2bya n THR 125 N -1.37 0.00 -4.04 1.26 -2.24 -1.26 -4.96 114.28 101.67 2bya n THR 125 Ca 0.11 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2bya n THR 125 Cb 0.51 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 2bya n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bya s SER 127 N -3.80 0.55 0.53 3.42 1.04 -1.26 -5.15 113.70 109.03 2bya s SER 127 Ca -0.03 -0.67 -0.20 0.00 0.48 0.00 0.00 55.95 55.53 2bya s SER 127 Cb 0.13 0.10 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 2bya s SER 127 CO 0.78 -0.35 1.13 0.00 0.98 0.00 0.00 173.24 175.78 2bya s ALA 129 N -1.74 3.27 0.15 0.00 0.00 -1.26 -5.09 121.76 117.08 2bya s ALA 129 Ca 0.71 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2bya s ALA 129 Cb -0.24 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2bya s ALA 129 CO 0.28 -0.08 0.23 -1.12 0.00 0.00 0.00 175.76 175.07 2bya s SER 130 N -3.15 6.09 0.33 0.00 0.01 -1.26 -5.06 113.70 110.66 2bya s SER 130 Ca 0.53 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.61 2bya s SER 130 Cb -0.10 -1.77 -0.13 0.00 0.21 0.00 0.00 66.02 64.23 2bya s SER 130 CO 0.32 0.07 1.16 0.00 0.41 0.00 0.00 173.24 175.19 2bya n ALA 132 N -0.41 0.65 0.00 1.44 0.00 -1.26 -1.60 120.51 119.33 2bya n ALA 132 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2bya n ALA 132 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2bya n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bya n GLY 133 N 0.97 3.29 3.71 0.00 0.00 0.48 -4.97 105.19 108.68 2bya n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2bya n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bya s THR 134 N -2.61 2.65 0.02 2.61 2.01 -0.63 -4.68 115.64 115.02 2bya s THR 134 Ca 0.00 0.43 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 2bya s THR 134 Cb 0.00 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2bya s THR 134 CO 0.00 0.03 0.81 -1.58 -0.69 0.00 0.00 174.62 173.19 2bya s GLN 135 N 1.34 4.51 0.27 4.92 2.00 -1.26 -1.24 119.66 130.20 2bya s GLN 135 Ca 0.71 1.12 0.07 0.00 -2.00 0.00 0.00 55.36 55.26 2bya s GLN 135 Cb -0.43 -3.40 -0.06 0.00 0.80 0.00 0.00 33.01 29.92 2bya s GLN 135 CO 0.31 0.16 -0.06 0.00 -0.50 0.00 0.00 175.29 175.20 2bya s LEU 137 N -3.43 2.94 -0.06 0.00 2.96 0.77 -1.32 118.68 120.54 2bya s LEU 137 Ca 0.29 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2bya s LEU 137 Cb 0.03 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2bya s LEU 137 CO 0.11 0.01 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.38 2bya s ILE 138 N 1.28 2.98 0.05 6.68 1.01 0.09 -1.33 121.20 131.96 2bya s ILE 138 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2bya s ILE 138 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2bya s ILE 138 CO -0.01 0.58 0.09 -0.94 0.00 0.00 0.00 174.94 174.66 2bya s SER 139 N -0.54 0.21 0.00 3.58 1.04 -1.20 -0.58 113.70 116.22 2bya s SER 139 Ca 0.07 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2bya s SER 139 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2bya s SER 139 CO 0.01 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2bya n GLY 140 N 0.52 -0.37 1.47 7.32 0.00 -0.45 -4.35 105.19 109.34 2bya n GLY 140 Ca -0.18 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.71 2bya n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bya n TRP 141 N -0.65 1.67 -1.77 1.61 8.01 -1.26 -1.84 117.44 123.21 2bya n TRP 141 Ca 0.00 -1.02 -0.26 0.00 -1.31 0.00 0.00 57.50 54.91 2bya n TRP 141 Cb 0.00 -0.49 0.19 0.00 -2.01 0.00 0.00 31.31 28.99 2bya n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bya n GLY 142 N -0.23 -1.55 3.69 6.99 0.00 -1.24 -4.40 105.19 108.46 2bya n GLY 142 Ca 0.30 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2bya n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bya n ASN 143 N -3.82 2.65 -0.89 1.61 5.15 0.12 -2.92 115.26 117.15 2bya n ASN 143 Ca 0.15 1.19 0.10 0.00 -0.60 0.00 0.00 54.58 55.41 2bya n ASN 143 Cb 0.51 -1.48 0.14 0.00 -0.53 0.00 0.00 39.78 38.43 2bya n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2bya n THR 144 N 0.23 0.34 -5.05 -0.44 -2.24 -0.34 -1.03 114.28 105.76 2bya n THR 144 Ca 0.05 -0.67 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 2bya n THR 144 Cb 0.37 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.55 2bya n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bya s LYS 145 N -1.41 2.19 0.31 -0.78 1.02 -1.26 -4.41 119.74 115.41 2bya s LYS 145 Ca 0.29 -0.88 0.23 0.00 0.02 0.00 0.00 55.97 55.62 2bya s LYS 145 Cb 0.18 -2.16 0.15 0.00 -0.52 0.00 0.00 37.83 35.48 2bya s LYS 145 CO 0.25 0.57 1.30 0.66 -0.92 0.00 0.00 175.35 177.22 2bya h SER 146 N 5.24 0.00 -3.26 2.83 4.64 -1.93 -3.43 113.55 117.63 2bya h SER 146 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 2bya h SER 146 Cb 1.14 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.87 2bya h SER 146 CO 0.48 0.01 -0.81 -0.44 -0.87 0.00 0.00 176.83 175.19 2bya s SER 147 N -5.75 2.07 0.00 4.97 0.01 -1.26 -4.66 113.70 109.07 2bya s SER 147 Ca 0.03 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2bya s SER 147 Cb 0.07 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2bya s SER 147 CO 0.74 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.93 2bya n GLY 148 N 4.53 -1.74 3.04 3.44 0.00 -1.26 -4.97 105.19 108.23 2bya n GLY 148 Ca -0.17 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2bya n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bya s THR 149 N 0.00 -0.19 -0.18 2.61 2.01 -1.26 -4.61 115.64 114.02 2bya s THR 149 Ca 0.00 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 2bya s THR 149 Cb 0.00 -0.41 0.08 0.00 0.01 0.00 0.00 72.50 72.19 2bya s THR 149 CO 0.00 0.08 0.38 -0.55 -0.69 0.00 0.00 174.62 173.85 2bya s SER 150 N 1.72 -0.11 -0.21 3.53 0.15 -1.26 -4.99 113.70 112.52 2bya s SER 150 Ca -0.05 0.90 -0.07 0.00 0.70 0.00 0.00 55.95 57.42 2bya s SER 150 Cb -0.11 1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 65.37 2bya s SER 150 CO -0.09 -0.23 0.07 -0.31 1.20 0.00 0.00 173.24 173.88 2bya s TYR 151 N 2.57 3.17 -1.02 3.44 1.51 -1.26 -1.19 117.35 124.57 2bya s TYR 151 Ca -0.01 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 2bya s TYR 151 Cb -0.12 -2.16 0.37 0.00 -0.11 0.00 0.00 41.96 39.94 2bya s TYR 151 CO -0.12 -0.08 1.13 -0.35 -1.11 0.00 0.00 175.55 175.02 2bya n PRO 152 N 4.20 2.56 0.00 -1.71 -0.04 -1.26 -5.00 135.00 133.75 2bya n PRO 152 Ca -0.16 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 2bya n PRO 152 Cb 0.52 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2bya n PRO 152 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bya n ASP 153 N 0.36 0.00 -4.92 3.54 8.00 -1.26 -4.86 116.55 117.41 2bya n ASP 153 Ca 0.13 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 2bya n ASP 153 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2bya n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2bya s VAL 154 N 0.00 5.05 0.23 2.53 -7.23 -1.26 -1.19 120.40 118.53 2bya s VAL 154 Ca 0.00 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 2bya s VAL 154 Cb 0.00 -3.69 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 2bya s VAL 154 CO 0.00 -0.25 1.36 -0.22 -0.31 0.00 0.00 175.10 175.67 2bya s LEU 155 N -3.68 4.41 0.14 1.32 2.96 -1.23 -4.81 118.68 117.78 2bya s LEU 155 Ca 0.34 2.52 0.06 0.00 -0.22 0.00 0.00 54.13 56.82 2bya s LEU 155 Cb -0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2bya s LEU 155 CO 0.28 -0.59 0.03 -0.54 -1.32 0.00 0.00 176.35 174.21 2bya s LYS 156 N -0.30 2.59 0.08 1.98 -0.14 -0.77 -2.05 119.74 121.12 2bya s LYS 156 Ca 0.57 -0.94 0.04 0.00 -1.36 0.00 0.00 55.97 54.28 2bya s LYS 156 Cb -0.39 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 2bya s LYS 156 CO 0.41 0.50 -0.11 0.00 -0.76 0.00 0.00 175.35 175.39 2bya s LEU 158 N -2.01 0.43 -0.15 0.00 2.96 0.26 -0.57 118.68 119.60 2bya s LEU 158 Ca -0.01 0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 2bya s LEU 158 Cb -0.07 0.60 -0.04 0.00 0.50 0.00 0.00 46.19 47.18 2bya s LEU 158 CO 0.01 -0.17 0.50 -0.54 -1.32 0.00 0.00 176.35 174.83 2bya s LYS 159 N 1.37 4.28 -0.04 1.98 1.02 -1.26 -0.73 119.74 126.35 2bya s LYS 159 Ca -0.08 0.45 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 2bya s LYS 159 Cb -0.11 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2bya s LYS 159 CO -0.08 0.02 0.35 0.00 -0.92 0.00 0.00 175.35 174.72 2bya s ALA 160 N 1.08 -0.88 0.27 5.17 0.00 -0.43 -4.96 121.76 122.01 2bya s ALA 160 Ca 0.25 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 2bya s ALA 160 Cb -0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.83 2bya s ALA 160 CO 0.10 -0.25 0.62 -1.25 0.00 0.00 0.00 175.76 174.98 2bya s PRO 161 N -1.03 3.87 0.26 0.00 0.04 -1.26 -0.55 135.00 136.33 2bya s PRO 161 Ca -0.11 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2bya s PRO 161 Cb -0.04 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2bya s PRO 161 CO 0.04 0.24 1.35 0.42 0.04 0.00 0.00 177.00 179.09 2bya s ILE 162 N -1.90 2.87 0.24 0.56 1.01 -0.37 -1.35 121.20 122.25 2bya s ILE 162 Ca 0.50 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 61.91 2bya s ILE 162 Cb -0.11 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2bya s ILE 162 CO 0.20 0.14 0.44 -0.76 0.00 0.00 0.00 174.94 174.96 2bya s LEU 163 N -0.74 4.18 0.63 2.97 1.43 -0.04 -0.39 118.68 126.71 2bya s LEU 163 Ca 0.55 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 2bya s LEU 163 Cb -0.39 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2bya s LEU 163 CO 0.44 -0.10 1.28 -1.54 0.23 0.00 0.00 176.35 176.67 2bya n SER 164 N -0.88 2.08 -0.30 2.29 3.41 -1.26 -4.59 113.62 114.37 2bya n SER 164 Ca -0.04 0.85 0.04 0.00 -0.26 0.00 0.00 58.87 59.46 2bya n SER 164 Cb 0.54 -1.55 0.19 0.00 -0.26 0.00 0.00 64.21 63.13 2bya n SER 164 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bya h ASP 165 N 0.67 0.68 -0.71 4.04 3.58 -1.97 -0.91 116.42 121.80 2bya h ASP 165 Ca -0.51 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 2bya h ASP 165 Cb 1.34 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 2bya h ASP 165 CO 0.53 0.37 0.26 0.77 -2.88 0.00 0.00 179.24 178.29 2bya h SER 166 N 0.79 1.00 0.07 2.28 4.64 -1.99 -0.66 113.55 119.67 2bya h SER 166 Ca 0.42 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 2bya h SER 166 Cb 0.44 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2bya h SER 166 CO -0.27 0.91 -0.36 0.77 -0.87 0.00 0.00 176.83 177.01 2bya h SER 167 N 1.02 0.42 -0.29 4.97 4.64 -1.80 -0.65 113.55 121.87 2bya h SER 167 Ca 0.23 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2bya h SER 167 Cb 0.25 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2bya h SER 167 CO -0.01 0.75 -0.06 0.00 -0.87 0.00 0.00 176.83 176.64 2bya h LYS 169 N 0.31 0.75 -0.34 0.00 1.57 -1.04 -1.88 116.57 115.94 2bya h LYS 169 Ca 0.07 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2bya h LYS 169 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2bya h LYS 169 CO 0.03 0.83 -0.11 0.77 -0.57 0.00 0.00 179.45 180.39 2bya h SER 170 N 0.68 0.57 -0.04 0.86 0.02 -0.99 -2.46 113.55 112.20 2bya h SER 170 Ca 0.12 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2bya h SER 170 Cb 0.57 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2bya h SER 170 CO 0.04 0.72 -0.30 0.00 -1.14 0.00 0.00 176.83 176.15 2bya h ALA 171 N 1.34 1.02 -2.15 3.77 0.00 -0.76 -3.37 119.26 119.11 2bya h ALA 171 Ca 0.10 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 54.05 2bya h ALA 171 Cb 0.52 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.79 2bya h ALA 171 CO 0.03 0.59 -0.89 0.66 0.00 0.00 0.00 179.25 179.64 2bya n TYR 172 N -4.09 1.15 -1.65 0.00 4.01 -0.75 -4.90 117.16 110.94 2bya n TYR 172 Ca -0.01 -3.78 -0.46 0.00 -0.16 0.00 0.00 57.90 53.49 2bya n TYR 172 Cb 0.44 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 2bya n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2bya n PRO 173 N 1.37 1.80 -0.96 -0.72 -0.02 -0.94 -2.21 135.00 133.31 2bya n PRO 173 Ca 0.25 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2bya n PRO 173 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2bya n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bya n GLY 174 N 2.13 0.60 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.59 2bya n GLY 174 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2bya n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bya n GLN 175 N -2.18 2.95 -3.45 1.61 6.02 -0.94 -5.01 117.38 116.38 2bya n GLN 175 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2bya n GLN 175 Cb 0.05 -0.69 -0.10 0.00 1.02 0.00 0.00 30.24 30.52 2bya n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bya s ILE 176 N -1.25 5.21 0.60 5.09 -1.09 -1.25 -5.02 121.20 123.49 2bya s ILE 176 Ca 0.00 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 2bya s ILE 176 Cb 0.00 -3.71 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 2bya s ILE 176 CO 0.00 0.06 0.84 0.42 -1.23 0.00 0.00 174.94 175.03 2bya s THR 177 N 1.95 2.45 -1.26 2.92 -4.23 -1.26 -4.97 115.64 111.23 2bya s THR 177 Ca 0.11 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2bya s THR 177 Cb -0.16 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 71.04 2bya s THR 177 CO 0.11 0.00 1.18 -1.54 -0.54 0.00 0.00 174.62 173.83 2bya n SER 178 N -2.46 0.00 -1.45 3.99 3.41 -1.26 -2.10 113.62 113.74 2bya n SER 178 Ca 0.11 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 2bya n SER 178 Cb 0.60 -0.37 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 2bya n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bya n ASN 179 N -1.37 4.75 -4.09 4.04 3.02 -1.26 -4.92 115.26 115.43 2bya n ASN 179 Ca 0.03 -2.71 -0.13 0.00 -0.03 0.00 0.00 54.58 51.74 2bya n ASN 179 Cb 0.08 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 2bya n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2bya s MET 180 N -2.31 0.61 0.05 3.52 -1.94 -0.89 -1.13 119.30 117.20 2bya s MET 180 Ca 0.48 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.57 2bya s MET 180 Cb 0.35 -0.35 -0.03 0.00 2.01 0.00 0.00 34.83 36.81 2bya s MET 180 CO 0.17 0.06 0.02 -0.59 -0.01 0.00 0.00 175.02 174.67 2bya s PHE 181 N -1.68 0.38 0.04 -0.03 -0.12 -0.33 -4.79 117.98 111.46 2bya s PHE 181 Ca -0.06 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 55.97 2bya s PHE 181 Cb -0.08 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2bya s PHE 181 CO -0.00 -0.36 0.22 0.00 -0.05 0.00 0.00 175.22 175.02 2bya s ALA 183 N -1.45 -0.42 0.00 0.00 0.00 -0.73 -0.86 121.76 118.30 2bya s ALA 183 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2bya s ALA 183 Cb -0.13 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2bya s ALA 183 CO 0.24 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2bya n GLY 183 N 1.09 0.23 2.67 0.00 0.00 -0.46 -2.77 105.19 105.95 2bya n GLY 183 Ca -0.21 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 2bya n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bya s TYR 184 N -1.46 0.07 0.43 1.61 2.02 -1.26 -4.33 117.35 114.43 2bya s TYR 184 Ca 0.00 0.13 0.34 0.00 -0.37 0.00 0.00 57.07 57.18 2bya s TYR 184 Cb 0.00 -0.52 1.76 0.00 -0.40 0.00 0.00 41.96 42.81 2bya s TYR 184 CO 0.00 -0.29 2.16 -0.07 -1.57 0.00 0.00 175.55 175.78 2bya h LEU 185 N 8.43 0.00 0.39 -1.29 3.38 -1.95 -3.44 115.31 120.83 2bya h LEU 185 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2bya h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bya h LEU 185 CO 0.19 0.05 -0.19 1.05 0.09 0.00 0.00 178.44 179.63 2bya h GLU 186 N 0.00 -0.51 0.00 1.13 9.09 -1.96 0.17 114.58 122.50 2bya h GLU 186 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.44 2bya h GLU 186 Cb 0.25 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2bya h GLU 186 CO 0.01 -0.34 0.00 0.41 0.05 0.00 0.00 179.01 179.14 2bya n GLY 187 N 0.35 2.09 2.73 1.06 0.00 -0.02 -4.46 105.19 106.94 2bya n GLY 187 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2bya n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bya s LYS 188 N -0.37 0.30 -0.02 1.61 1.02 -1.26 -3.66 119.74 117.37 2bya s LYS 188 Ca 0.00 0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.92 2bya s LYS 188 Cb 0.00 -0.77 0.11 0.00 -0.52 0.00 0.00 37.83 36.66 2bya s LYS 188 CO 0.00 -0.31 1.17 0.34 -0.92 0.00 0.00 175.35 175.63 2bya s ASP 189 N 2.06 -0.13 0.87 2.83 2.15 -0.53 -4.31 116.67 119.61 2bya s ASP 189 Ca 0.05 -0.15 -0.13 0.00 0.43 0.00 0.00 52.55 52.75 2bya s ASP 189 Cb -0.12 0.24 0.12 0.00 -0.30 0.00 0.00 42.92 42.86 2bya s ASP 189 CO -0.04 -0.43 1.19 -0.94 -0.17 0.00 0.00 175.17 174.77 2bya s SER 190 N -2.75 3.95 0.33 -0.34 1.04 -1.26 -0.25 113.70 114.43 2bya s SER 190 Ca 0.12 0.75 -0.09 0.00 0.48 0.00 0.00 55.95 57.21 2bya s SER 190 Cb 0.02 -1.19 0.04 0.00 0.10 0.00 0.00 66.02 64.98 2bya s SER 190 CO -0.03 -2.25 0.61 0.00 0.98 0.00 0.00 173.24 172.54 2bya n GLN 192 N -0.48 1.28 0.00 0.00 3.00 -1.26 -0.86 117.38 119.05 2bya n GLN 192 Ca -0.05 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2bya n GLN 192 Cb 0.52 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.73 2bya n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bya n GLY 193 N 2.26 2.33 0.11 1.08 0.00 -1.26 -0.70 105.19 109.00 2bya n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2bya n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bya h ASP 194 N 0.00 0.00 -1.05 1.61 3.32 -1.31 -3.31 116.42 115.68 2bya h ASP 194 Ca 0.00 -0.09 -0.73 0.00 0.02 0.00 0.00 57.03 56.23 2bya h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 2bya h ASP 194 CO 0.00 0.04 -0.19 -1.20 -1.72 0.00 0.00 179.24 176.17 2bya n SER 195 N -2.43 -0.49 0.00 6.45 7.64 -1.25 -1.35 113.62 122.19 2bya n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2bya n SER 195 Cb 0.48 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2bya n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bya n GLY 196 N 1.74 2.50 3.94 0.23 0.00 -0.01 -0.48 105.19 113.12 2bya n GLY 196 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2bya n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bya s GLY 197 N -1.96 1.76 0.36 -0.02 0.00 -0.45 -3.31 107.32 103.69 2bya s GLY 197 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 2bya s GLY 197 CO 0.00 -0.56 0.81 2.56 0.00 0.00 0.00 173.10 175.91 2bya s PRO 198 N -5.68 4.10 -0.24 2.90 0.04 -1.26 -0.97 135.00 133.89 2bya s PRO 198 Ca 0.71 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2bya s PRO 198 Cb -0.05 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.18 2bya s PRO 198 CO 0.51 0.10 -0.08 0.08 0.04 0.00 0.00 177.00 177.64 2bya s VAL 199 N -2.03 1.82 -0.11 -0.36 1.01 -0.25 -3.22 120.40 117.26 2bya s VAL 199 Ca 0.56 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2bya s VAL 199 Cb -0.10 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2bya s VAL 199 CO 0.16 -0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.37 2bya s VAL 200 N 1.27 2.75 -0.08 2.92 1.01 -0.44 -1.06 120.40 126.77 2bya s VAL 200 Ca -0.07 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2bya s VAL 200 Cb -0.19 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2bya s VAL 200 CO -0.06 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 2bya n SER 202 N 4.77 -3.97 -0.08 0.00 7.64 -1.26 -1.50 113.62 119.22 2bya n SER 202 Ca -0.13 -0.87 -0.01 0.00 1.01 0.00 0.00 58.87 58.86 2bya n SER 202 Cb 0.50 -3.45 -0.00 0.00 -1.01 0.00 0.00 64.21 60.25 2bya n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bya n GLY 203 N -1.59 0.49 3.27 0.23 0.00 -1.26 -5.02 105.19 101.30 2bya n GLY 203 Ca 0.03 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2bya n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bya s LYS 204 N -1.15 1.52 -0.67 1.61 -0.14 -0.56 -4.08 119.74 116.26 2bya s LYS 204 Ca 0.00 -0.96 -0.27 0.00 -1.36 0.00 0.00 55.97 53.38 2bya s LYS 204 Cb 0.00 -1.63 0.03 0.00 -1.68 0.00 0.00 37.83 34.55 2bya s LYS 204 CO 0.00 0.42 1.22 -1.17 -0.76 0.00 0.00 175.35 175.06 2bya s LEU 209 N -1.12 3.36 -0.07 3.17 2.96 -0.10 -0.94 118.68 125.93 2bya s LEU 209 Ca 0.09 -0.25 0.20 0.00 -0.22 0.00 0.00 54.13 53.94 2bya s LEU 209 Cb -0.09 -2.80 -0.30 0.00 0.50 0.00 0.00 46.19 43.50 2bya s LEU 209 CO 0.02 -1.66 0.35 0.00 -1.32 0.00 0.00 176.35 173.73 2bya n GLN 210 N 8.88 0.69 -4.03 1.98 1.13 -0.23 -4.13 117.38 121.67 2bya n GLN 210 Ca 0.05 -0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 54.88 2bya n GLN 210 Cb 0.49 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.26 2bya n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2bya s GLY 211 N -4.63 0.53 -0.08 1.08 0.00 -0.76 -1.70 107.32 101.77 2bya s GLY 211 Ca -0.08 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.57 2bya s GLY 211 CO 0.84 -1.14 -0.17 -0.42 0.00 0.00 0.00 173.10 172.21 2bya s ILE 212 N -3.95 1.50 -0.01 0.90 1.01 -1.04 -1.09 121.20 118.52 2bya s ILE 212 Ca 0.13 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.77 2bya s ILE 212 Cb 0.06 -1.33 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 2bya s ILE 212 CO -0.05 0.44 1.95 0.52 0.00 0.00 0.00 174.94 177.79 2bya n VAL 213 N 3.66 0.70 0.03 2.92 0.31 -0.14 -1.33 118.33 124.48 2bya n VAL 213 Ca -0.21 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2bya n VAL 213 Cb 0.52 -2.16 -0.00 0.00 -0.91 0.00 0.00 33.84 31.29 2bya n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2bya n SER 214 N 7.24 0.62 -3.55 4.52 2.88 -0.97 -0.83 113.62 123.52 2bya n SER 214 Ca 0.21 0.08 -0.06 0.00 -1.33 0.00 0.00 58.87 57.77 2bya n SER 214 Cb 0.37 -0.19 -0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2bya n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2bya s TRP 215 N -1.55 -0.07 0.00 0.66 1.48 -0.67 -4.93 118.94 113.86 2bya s TRP 215 Ca -0.00 -0.40 0.00 0.00 -1.06 0.00 0.00 56.10 54.64 2bya s TRP 215 Cb 0.00 0.72 0.00 0.00 -1.16 0.00 0.00 33.47 33.03 2bya s TRP 215 CO 0.00 -1.18 0.00 0.41 -4.06 0.00 0.00 176.95 172.12 2bya n GLY 216 N -0.51 0.53 3.51 3.67 0.00 -1.26 -0.62 105.19 110.52 2bya n GLY 216 Ca -0.05 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2bya n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bya s SER 217 N 0.00 6.34 0.98 1.61 0.15 -1.26 -4.87 113.70 116.65 2bya s SER 217 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2bya s SER 217 Cb 0.00 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2bya s SER 217 CO 0.00 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2bya n GLY 219 N 5.07 1.03 2.80 9.45 0.00 -1.26 -4.62 105.19 117.67 2bya n GLY 219 Ca -0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2bya n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bya n ALA 220 N 3.88 -0.37 -2.16 0.00 0.00 -1.26 -4.62 120.51 115.99 2bya n ALA 220 Ca -0.24 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2bya n ALA 220 Cb 0.53 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 2bya n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bya s GLN 221 N -4.18 4.03 0.22 0.00 -1.52 -1.26 -0.84 119.66 116.11 2bya s GLN 221 Ca 0.00 0.67 -0.32 0.00 -1.95 0.00 0.00 55.36 53.76 2bya s GLN 221 Cb 0.00 -2.54 -0.13 0.00 -0.22 0.00 0.00 33.01 30.12 2bya s GLN 221 CO 0.00 0.22 1.49 1.17 -0.25 0.00 0.00 175.29 177.92 2bya n LYS 222 N -0.14 2.15 -1.22 2.91 4.81 -1.26 -2.16 118.16 123.25 2bya n LYS 222 Ca 0.02 0.77 -0.08 0.00 -0.87 0.00 0.00 58.31 58.15 2bya n LYS 222 Cb 0.53 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.07 2bya n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2bya n ASN 223 N 2.63 -4.79 -3.39 3.14 5.03 0.58 -4.91 115.26 113.56 2bya n ASN 223 Ca 0.13 0.19 -0.26 0.00 0.87 0.00 0.00 54.58 55.51 2bya n ASN 223 Cb 0.31 -2.95 -0.09 0.00 -1.02 0.00 0.00 39.78 36.03 2bya n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2bya n LYS 224 N -1.61 0.93 -1.34 3.52 4.76 -0.92 -4.73 118.16 118.77 2bya n LYS 224 Ca -0.08 -3.58 -0.29 0.00 -2.87 0.00 0.00 58.31 51.50 2bya n LYS 224 Cb 0.39 -1.67 0.16 0.00 -1.84 0.00 0.00 35.03 32.08 2bya n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2bya s PRO 225 N -0.97 0.63 0.46 1.97 0.04 -1.26 -4.32 135.00 131.55 2bya s PRO 225 Ca 0.34 0.35 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 2bya s PRO 225 Cb 0.09 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 2bya s PRO 225 CO -0.14 -2.56 1.19 0.20 0.04 0.00 0.00 177.00 175.74 2bya s GLY 226 N -3.76 2.80 -0.10 0.56 0.00 -1.11 -4.67 107.32 101.04 2bya s GLY 226 Ca 0.65 0.99 0.01 0.00 0.00 0.00 0.00 44.72 46.38 2bya s GLY 226 CO 0.55 1.47 -0.14 0.14 0.00 0.00 0.00 173.10 175.13 2bya s VAL 227 N -1.49 3.06 0.03 1.40 1.01 0.21 -1.77 120.40 122.85 2bya s VAL 227 Ca 0.64 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2bya s VAL 227 Cb -0.30 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2bya s VAL 227 CO 0.37 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.57 2bya s TYR 228 N -0.07 1.21 0.16 5.22 2.02 0.35 -1.67 117.35 124.56 2bya s TYR 228 Ca -0.02 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.04 2bya s TYR 228 Cb -0.14 -0.73 -0.08 0.00 -0.40 0.00 0.00 41.96 40.61 2bya s TYR 228 CO 0.04 0.02 1.31 0.99 -1.57 0.00 0.00 175.55 176.34 2bya s THR 229 N -0.76 3.36 -0.96 -0.71 2.01 -0.44 -1.18 115.64 116.96 2bya s THR 229 Ca 0.02 1.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 2bya s THR 229 Cb -0.07 -3.68 0.09 0.00 0.01 0.00 0.00 72.50 68.85 2bya s THR 229 CO 0.01 0.13 1.26 -0.75 -0.69 0.00 0.00 174.62 174.58 2bya s LYS 230 N 0.38 3.58 0.40 4.92 2.20 -0.29 -2.51 119.74 128.43 2bya s LYS 230 Ca 0.59 -1.44 0.08 0.00 -0.36 0.00 0.00 55.97 54.84 2bya s LYS 230 Cb -0.35 -5.08 0.85 0.00 -1.51 0.00 0.00 37.83 31.74 2bya s LYS 230 CO 0.35 -1.97 2.02 0.28 -0.36 0.00 0.00 175.35 175.67 2bya h VAL 231 N 6.26 1.05 -0.14 4.02 2.07 -1.63 -2.02 116.25 125.86 2bya h VAL 231 Ca 0.16 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2bya h VAL 231 Cb 1.02 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2bya h VAL 231 CO 1.25 0.11 0.14 0.00 0.02 0.00 0.00 177.57 179.09 2bya n ASN 233 N -3.92 0.59 -0.41 0.00 3.02 -0.76 -3.44 115.26 110.35 2bya n ASN 233 Ca 0.00 0.64 0.05 0.00 -0.03 0.00 0.00 54.58 55.25 2bya n ASN 233 Cb 0.26 -0.77 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 2bya n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2bya n TYR 234 N -2.15 0.02 -0.30 3.10 4.01 0.10 -4.70 117.16 117.23 2bya n TYR 234 Ca 0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 2bya n TYR 234 Cb 0.23 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 2bya n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2bya h VAL 235 N 1.98 1.25 -0.48 -0.72 2.07 -1.57 0.48 116.25 119.25 2bya h VAL 235 Ca 0.00 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2bya h VAL 235 Cb 0.43 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2bya h VAL 235 CO 0.00 0.28 0.14 0.28 0.02 0.00 0.00 177.57 178.29 2bya h SER 236 N 1.16 0.70 -0.52 0.57 0.02 -1.86 -0.63 113.55 112.99 2bya h SER 236 Ca 0.29 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2bya h SER 236 Cb 0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2bya h SER 236 CO -0.04 0.73 0.32 -0.25 -1.14 0.00 0.00 176.83 176.44 2bya h TRP 237 N 0.64 0.68 -0.07 3.45 7.01 -1.76 -0.78 115.95 125.12 2bya h TRP 237 Ca 0.15 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2bya h TRP 237 Cb 0.28 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2bya h TRP 237 CO 0.02 0.46 0.04 0.82 -2.79 0.00 0.00 178.44 176.99 2bya h ILE 238 N 0.69 1.06 -0.38 2.65 2.04 -0.66 -0.16 117.51 122.74 2bya h ILE 238 Ca 0.19 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2bya h ILE 238 Cb -0.02 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2bya h ILE 238 CO -0.04 0.05 0.14 0.11 0.00 0.00 0.00 178.15 178.41 2bya h LYS 239 N 0.05 0.58 -0.32 2.37 1.57 -0.98 -0.99 116.57 118.85 2bya h LYS 239 Ca 0.03 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2bya h LYS 239 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2bya h LYS 239 CO -0.00 0.57 -0.23 -0.56 -0.57 0.00 0.00 179.45 178.65 2bya h GLN 240 N 0.47 0.61 -0.36 3.15 -0.00 -1.02 -1.41 115.11 116.55 2bya h GLN 240 Ca 0.13 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.65 58.49 2bya h GLN 240 Cb 0.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 2bya h GLN 240 CO -0.01 0.79 0.04 1.15 -0.00 0.00 0.00 178.83 180.81 2bya h THR 241 N 0.54 1.25 -0.85 1.86 2.02 -0.81 -2.65 112.91 114.27 2bya h THR 241 Ca 0.08 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2bya h THR 241 Cb 0.69 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2bya h THR 241 CO 0.05 0.30 0.51 0.40 0.37 0.00 0.00 175.52 177.14 2bya h ILE 242 N 0.44 1.24 0.00 3.11 2.04 -1.05 -2.28 117.51 121.01 2bya h ILE 242 Ca 0.11 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2bya h ILE 242 Cb 0.39 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2bya h ILE 242 CO 0.01 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 178.36 2bya h ALA 243 N 1.27 1.20 -0.11 1.87 0.00 -0.91 -2.97 119.26 119.61 2bya h ALA 243 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bya h ALA 243 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bya h ALA 243 CO -0.06 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.69 2bya n SER 244 N -3.44 2.34 0.00 0.00 7.64 -1.00 -5.10 113.62 114.07 2bya n SER 244 Ca -0.02 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2bya n SER 244 Cb 0.19 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2bya n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62