#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tio s VAL 17 N 0.00 4.43 -0.90 1.39 1.01 -0.09 -4.02 120.40 122.23 1tio s VAL 17 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1tio s VAL 17 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1tio s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1tio n GLY 18 N 3.61 0.78 0.00 4.51 0.00 -1.25 -2.12 105.19 110.73 1tio n GLY 18 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1tio n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tio n GLY 19 N -1.66 1.68 3.14 -0.02 0.00 -1.26 -4.86 105.19 102.20 1tio n GLY 19 Ca -0.09 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1tio n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tio s TYR 20 N 2.15 0.56 -0.22 1.61 1.13 -0.09 -4.95 117.35 117.54 1tio s TYR 20 Ca 0.00 -1.03 -0.29 0.00 -1.41 0.00 0.00 57.07 54.34 1tio s TYR 20 Cb 0.00 -0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 40.50 1tio s TYR 20 CO 0.00 -0.46 1.31 0.99 -2.51 0.00 0.00 175.55 174.88 1tio s THR 21 N -3.95 4.16 0.13 -3.49 2.01 -1.26 -0.06 115.64 113.18 1tio s THR 21 Ca 0.12 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.23 1tio s THR 21 Cb 0.07 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1tio s THR 21 CO -0.06 -0.29 1.62 0.00 -0.69 0.00 0.00 174.62 175.20 1tio n GLY 23 N -1.40 3.36 3.69 0.00 0.00 -1.26 -4.86 105.19 104.71 1tio n GLY 23 Ca -0.04 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1tio n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tio s ALA 24 N -1.81 3.74 -1.59 4.61 0.00 -1.26 -3.04 121.76 122.41 1tio s ALA 24 Ca 0.00 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 1tio s ALA 24 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1tio s ALA 24 CO 0.00 -1.29 0.30 0.09 0.00 0.00 0.00 175.76 174.86 1tio n ASN 25 N 5.99 -5.67 -0.01 0.00 5.03 -1.26 -4.86 115.26 114.47 1tio n ASN 25 Ca 0.18 -0.14 0.11 0.00 0.87 0.00 0.00 54.58 55.61 1tio n ASN 25 Cb 0.38 -4.66 0.13 0.00 -1.02 0.00 0.00 39.78 34.61 1tio n ASN 25 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1tio n THR 26 N -4.17 0.00 -3.54 3.41 -2.24 -1.17 -4.29 114.28 102.29 1tio n THR 26 Ca -0.16 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1tio n THR 26 Cb 0.64 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 1tio n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1tio n VAL 27 N -1.46 0.94 0.24 2.28 0.31 -1.26 -4.99 118.33 114.39 1tio n VAL 27 Ca 0.05 -4.57 0.15 0.00 -0.01 0.00 0.00 64.34 59.97 1tio n VAL 27 Cb 0.34 -2.02 0.82 0.00 -0.91 0.00 0.00 33.84 32.07 1tio n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1tio h PRO 28 N 4.81 0.00 -0.02 5.55 0.13 -1.76 -2.26 132.00 138.46 1tio h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1tio h PRO 28 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1tio h PRO 28 CO 0.65 0.00 -0.39 2.48 -0.23 0.00 0.00 178.00 180.51 1tio n TYR 29 N -2.60 0.00 -2.45 1.56 0.18 -1.14 -1.94 117.16 110.77 1tio n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1tio n TYR 29 Cb 0.11 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.02 1tio n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tio s GLN 30 N -2.43 4.39 0.21 -3.48 2.00 -0.85 -0.89 119.66 118.61 1tio s GLN 30 Ca 0.21 1.71 0.09 0.00 -2.00 0.00 0.00 55.36 55.37 1tio s GLN 30 Cb 0.19 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 1tio s GLN 30 CO 0.53 -0.36 -0.17 0.14 -0.50 0.00 0.00 175.29 174.94 1tio s VAL 31 N 1.70 1.92 -0.11 1.34 -7.23 -0.20 -4.46 120.40 113.37 1tio s VAL 31 Ca 0.57 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1tio s VAL 31 Cb -0.27 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1tio s VAL 31 CO 0.25 -0.47 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.92 1tio s SER 32 N -3.15 4.21 -0.18 4.85 0.15 -0.71 -1.82 113.70 117.05 1tio s SER 32 Ca 0.22 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 1tio s SER 32 Cb -0.03 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1tio s SER 32 CO 0.08 0.23 0.42 -0.76 1.20 0.00 0.00 173.24 174.41 1tio s LEU 33 N -0.03 4.19 -0.09 3.45 1.43 0.89 -1.27 118.68 127.26 1tio s LEU 33 Ca -0.02 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1tio s LEU 33 Cb -0.14 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1tio s LEU 33 CO 0.04 -0.05 -0.15 0.21 0.23 0.00 0.00 176.35 176.62 1tio s ASN 34 N 0.88 2.32 -0.37 2.29 3.84 -0.43 -1.46 114.94 122.01 1tio s ASN 34 Ca 0.21 -0.40 0.10 0.00 0.21 0.00 0.00 52.86 52.97 1tio s ASN 34 Cb -0.15 -1.05 0.44 0.00 -0.55 0.00 0.00 41.25 39.95 1tio s ASN 34 CO 0.08 0.04 1.08 -1.54 -2.79 0.00 0.00 177.10 173.97 1tio n SER 37 N 3.99 3.67 0.00 -4.21 3.41 -1.26 -1.12 113.62 118.10 1tio n SER 37 Ca -0.20 -3.34 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 1tio n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1tio n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tio n GLY 38 N -0.42 0.55 3.51 5.00 0.00 -1.26 -5.00 105.19 107.57 1tio n GLY 38 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1tio n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tio s TYR 39 N -2.10 -0.39 0.10 1.61 -0.85 -1.26 -5.14 117.35 109.33 1tio s TYR 39 Ca 0.00 0.37 -0.31 0.00 -0.52 0.00 0.00 57.07 56.61 1tio s TYR 39 Cb 0.00 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.78 1tio s TYR 39 CO 0.00 -0.54 1.34 -1.58 -1.52 0.00 0.00 175.55 173.25 1tio s HIS 40 N -2.66 3.29 0.00 -3.49 5.65 -1.26 -4.22 115.29 112.60 1tio s HIS 40 Ca 0.02 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.37 1tio s HIS 40 Cb -0.01 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1tio s HIS 40 CO -0.06 -2.12 0.00 1.97 -0.65 0.00 0.00 174.74 173.88 1tio n PHE 41 N 3.92 0.00 -3.54 3.88 1.16 -0.53 -4.97 117.46 117.37 1tio n PHE 41 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.60 1tio n PHE 41 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.28 1tio n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1tio n GLY 43 N -0.35 2.08 3.61 0.00 0.00 0.25 -0.07 105.19 110.71 1tio n GLY 43 Ca -0.11 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.74 1tio n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tio s GLY 44 N -3.41 -0.43 -0.03 -0.02 0.00 -0.76 -3.93 107.32 98.74 1tio s GLY 44 Ca 0.32 0.75 0.05 0.00 0.00 0.00 0.00 44.72 45.84 1tio s GLY 44 CO 0.20 0.13 -0.18 -0.56 0.00 0.00 0.00 173.10 172.69 1tio s SER 45 N -2.97 2.25 -0.26 1.64 0.01 -0.32 -1.03 113.70 113.02 1tio s SER 45 Ca 0.14 -0.36 -0.26 0.00 1.31 0.00 0.00 55.95 56.78 1tio s SER 45 Cb 0.05 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1tio s SER 45 CO -0.04 0.19 0.89 -0.22 0.41 0.00 0.00 173.24 174.46 1tio s LEU 46 N -0.17 4.07 -0.02 2.44 2.96 -0.07 -1.09 118.68 126.80 1tio s LEU 46 Ca 0.01 1.04 0.21 0.00 -0.22 0.00 0.00 54.13 55.17 1tio s LEU 46 Cb -0.10 -3.27 -0.29 0.00 0.50 0.00 0.00 46.19 43.03 1tio s LEU 46 CO 0.01 -0.60 0.64 2.30 -1.32 0.00 0.00 176.35 177.38 1tio n ILE 47 N 5.37 0.00 -3.80 6.68 -5.35 -0.60 -0.34 119.36 121.33 1tio n ILE 47 Ca 0.07 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.21 1tio n ILE 47 Cb 0.47 0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1tio n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1tio s ASN 48 N -3.87 -0.12 0.48 7.28 2.20 -1.21 -4.50 114.94 115.21 1tio s ASN 48 Ca -0.02 -0.55 0.30 0.00 -0.94 0.00 0.00 52.86 51.65 1tio s ASN 48 Cb 0.15 0.53 1.62 0.00 -2.00 0.00 0.00 41.25 41.54 1tio s ASN 48 CO 0.88 -1.01 1.90 0.77 -2.94 0.00 0.00 177.10 176.69 1tio h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -3.02 113.55 118.76 1tio h SER 49 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1tio h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1tio h SER 49 CO 0.29 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.92 1tio n GLN 50 N -2.59 0.23 -4.74 4.77 7.27 -1.26 -0.14 117.38 120.91 1tio n GLN 50 Ca -0.02 -0.33 -0.24 0.00 0.07 0.00 0.00 57.00 56.47 1tio n GLN 50 Cb 0.12 -0.82 -0.15 0.00 2.41 0.00 0.00 30.24 31.80 1tio n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1tio s TRP 51 N -0.13 1.57 -0.02 3.69 0.52 -1.14 -0.96 118.94 122.47 1tio s TRP 51 Ca 0.00 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1tio s TRP 51 Cb 0.00 -0.99 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 1tio s TRP 51 CO 0.00 0.00 -0.18 0.08 0.02 0.00 0.00 176.95 176.88 1tio s VAL 52 N -0.53 1.39 -0.06 4.03 1.01 -0.06 -1.55 120.40 124.63 1tio s VAL 52 Ca 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1tio s VAL 52 Cb -0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1tio s VAL 52 CO -0.00 0.39 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 1tio s VAL 53 N -0.39 3.49 0.00 2.92 1.01 -0.25 -0.34 120.40 126.84 1tio s VAL 53 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1tio s VAL 53 Cb -0.07 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1tio s VAL 53 CO -0.01 0.60 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 1tio n SER 54 N 2.26 0.00 -4.85 3.32 2.88 -0.24 -1.17 113.62 115.82 1tio n SER 54 Ca -0.18 -0.54 -0.36 0.00 -1.33 0.00 0.00 58.87 56.46 1tio n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1tio n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tio s ALA 55 N -1.55 3.72 0.44 -1.46 0.00 -1.26 -1.15 121.76 120.50 1tio s ALA 55 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 51.96 51.79 1tio s ALA 55 Cb 0.00 -2.32 0.98 0.00 0.00 0.00 0.00 23.12 21.78 1tio s ALA 55 CO 0.00 0.53 1.99 0.00 0.00 0.00 0.00 175.76 178.27 1tio h ALA 56 N 4.25 1.68 0.00 0.00 0.00 -1.68 -1.50 119.26 122.00 1tio h ALA 56 Ca -0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1tio h ALA 56 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tio h ALA 56 CO 0.64 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 1tio n HIS 57 N -4.33 0.00 1.27 0.00 1.44 -1.26 -1.54 115.22 110.80 1tio n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1tio n HIS 57 Cb 0.24 -0.42 0.41 0.00 0.12 0.00 0.00 29.99 30.34 1tio n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tio s TYR 59 N -1.85 2.65 -0.18 0.00 5.04 -0.59 -5.00 117.35 117.41 1tio s TYR 59 Ca 0.34 1.20 -0.34 0.00 -2.44 0.00 0.00 57.07 55.83 1tio s TYR 59 Cb 0.19 -3.98 0.14 0.00 0.35 0.00 0.00 41.96 38.66 1tio s TYR 59 CO 0.29 -2.84 1.18 -1.59 -1.34 0.00 0.00 175.55 171.26 1tio s LYS 60 N -2.05 0.34 0.30 4.97 -2.85 -1.26 -5.15 119.74 114.05 1tio s LYS 60 Ca 0.52 -0.11 -0.09 0.00 -1.00 0.00 0.00 55.97 55.30 1tio s LYS 60 Cb -0.46 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.41 1tio s LYS 60 CO 0.62 -0.15 0.62 -1.54 0.10 0.00 0.00 175.35 175.00 1tio s SER 61 N -2.09 6.55 0.00 0.03 1.04 -1.26 -4.43 113.70 113.54 1tio s SER 61 Ca 0.09 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1tio s SER 61 Cb -0.01 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1tio s SER 61 CO -0.05 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1tio n GLY 62 N -0.72 0.90 3.72 7.32 0.00 -1.26 -5.04 105.19 110.11 1tio n GLY 62 Ca 0.01 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1tio n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tio s ILE 63 N -2.85 5.10 -0.12 -0.61 1.01 -1.26 -4.50 121.20 117.97 1tio s ILE 63 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.86 1tio s ILE 63 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1tio s ILE 63 CO 0.00 0.30 -0.16 -1.58 0.00 0.00 0.00 174.94 173.50 1tio s GLN 64 N 0.62 3.28 -0.12 2.79 0.74 -0.28 -1.98 119.66 124.71 1tio s GLN 64 Ca 0.32 -0.74 -0.19 0.00 0.05 0.00 0.00 55.36 54.80 1tio s GLN 64 Cb -0.17 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 1tio s GLN 64 CO 0.14 0.21 0.52 0.08 -0.55 0.00 0.00 175.29 175.70 1tio s VAL 65 N 0.32 5.15 -0.29 1.34 1.01 0.17 -1.32 120.40 126.80 1tio s VAL 65 Ca -0.13 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1tio s VAL 65 Cb -0.16 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1tio s VAL 65 CO 0.06 0.29 -0.02 -0.13 0.00 0.00 0.00 175.10 175.31 1tio s ARG 65 N 0.83 2.51 0.31 2.72 0.52 -0.39 -0.47 118.95 124.98 1tio s ARG 65 Ca 0.27 -1.20 0.07 0.00 -0.52 0.00 0.00 55.73 54.36 1tio s ARG 65 Cb -0.16 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 1tio s ARG 65 CO 0.11 -0.57 0.25 -0.51 0.02 0.00 0.00 175.30 174.60 1tio s LEU 66 N 1.26 3.62 -1.47 2.53 1.02 0.32 -1.74 118.68 124.23 1tio s LEU 66 Ca -0.04 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1tio s LEU 66 Cb -0.19 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.82 1tio s LEU 66 CO -0.02 -0.26 0.00 0.61 0.02 0.00 0.00 176.35 176.71 1tio n GLY 69 N -1.29 0.45 3.86 -3.19 0.00 -1.26 -1.18 105.19 102.58 1tio n GLY 69 Ca -0.04 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1tio n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tio s GLU 70 N -4.21 3.87 0.00 1.61 0.41 -1.26 -3.41 118.70 115.71 1tio s GLU 70 Ca 0.00 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 1tio s GLU 70 Cb 0.00 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1tio s GLU 70 CO 0.00 0.44 0.00 -3.47 -0.49 0.00 0.00 175.26 171.74 1tio n ASP 71 N 0.48 0.00 -4.54 -0.19 2.03 -1.26 -4.61 116.55 108.46 1tio n ASP 71 Ca -0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.84 1tio n ASP 71 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1tio n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tio s ASN 72 N -1.71 6.42 0.00 1.67 3.84 -1.25 -3.06 114.94 120.85 1tio s ASN 72 Ca 0.00 -0.09 0.19 0.00 0.21 0.00 0.00 52.86 53.17 1tio s ASN 72 Cb 0.00 -2.40 1.04 0.00 -0.55 0.00 0.00 41.25 39.34 1tio s ASN 72 CO 0.00 -0.97 1.56 2.30 -2.79 0.00 0.00 177.10 177.20 1tio n ILE 73 N 6.21 0.25 0.46 -5.21 -5.35 -0.23 -2.73 119.36 112.75 1tio n ILE 73 Ca 0.03 0.06 0.05 0.00 -0.27 0.00 0.00 62.75 62.62 1tio n ILE 73 Cb 0.48 -0.76 0.01 0.00 -1.74 0.00 0.00 39.64 37.63 1tio n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1tio n ASN 74 N -1.16 1.34 -4.04 7.28 3.02 -1.26 -4.96 115.26 115.48 1tio n ASN 74 Ca 0.11 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 53.24 1tio n ASN 74 Cb 0.11 0.40 -0.17 0.00 -0.61 0.00 0.00 39.78 39.51 1tio n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tio s VAL 75 N -1.31 1.22 -0.70 2.41 1.01 -1.11 -5.08 120.40 116.83 1tio s VAL 75 Ca 0.09 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 1tio s VAL 75 Cb 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1tio s VAL 75 CO 0.24 0.37 1.24 -0.69 0.00 0.00 0.00 175.10 176.26 1tio s VAL 76 N 0.63 3.82 -2.30 2.92 1.01 -1.26 -4.65 120.40 120.58 1tio s VAL 76 Ca -0.15 0.43 0.27 0.00 0.00 0.00 0.00 61.98 62.53 1tio s VAL 76 Cb -0.16 -4.86 0.37 0.00 0.00 0.00 0.00 36.38 31.73 1tio s VAL 76 CO 0.04 -1.73 1.58 -0.62 0.00 0.00 0.00 175.10 174.37 1tio n GLU 77 N 9.07 1.46 -0.01 2.72 1.02 -1.26 -4.98 120.64 128.66 1tio n GLU 77 Ca 0.03 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1tio n GLU 77 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1tio n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tio n GLY 78 N 1.27 0.36 0.47 0.62 0.00 -1.26 -4.93 105.19 101.71 1tio n GLY 78 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1tio n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tio n ASN 79 N 0.00 2.19 -4.81 1.61 5.03 -1.26 -5.04 115.26 112.98 1tio n ASN 79 Ca 0.00 -1.62 -0.33 0.00 0.87 0.00 0.00 54.58 53.50 1tio n ASN 79 Cb 0.00 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.68 1tio n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1tio s GLU 80 N -0.90 3.54 -0.09 3.52 8.01 -1.22 -4.22 118.70 127.35 1tio s GLU 80 Ca 0.15 1.20 -0.03 0.00 0.01 0.00 0.00 54.97 56.30 1tio s GLU 80 Cb 0.09 -2.06 0.04 0.00 -4.31 0.00 0.00 34.13 27.89 1tio s GLU 80 CO 0.13 -0.63 0.10 -0.65 0.01 0.00 0.00 175.26 174.22 1tio s GLN 81 N -3.86 -0.01 -0.33 1.61 -0.21 -0.32 -4.96 119.66 111.58 1tio s GLN 81 Ca 0.64 0.33 -0.08 0.00 0.02 0.00 0.00 55.36 56.27 1tio s GLN 81 Cb -0.15 -0.74 0.02 0.00 1.00 0.00 0.00 33.01 33.14 1tio s GLN 81 CO 0.32 -0.41 0.13 -0.06 -2.12 0.00 0.00 175.29 173.14 1tio s PHE 82 N 2.21 3.21 -0.07 0.91 0.08 -1.26 -0.52 117.98 122.54 1tio s PHE 82 Ca 0.04 -1.12 0.01 0.00 0.12 0.00 0.00 56.93 55.99 1tio s PHE 82 Cb -0.13 -2.32 0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1tio s PHE 82 CO -0.05 -0.65 -0.10 0.42 -0.10 0.00 0.00 175.22 174.74 1tio s ILE 83 N 1.48 1.02 0.57 0.64 1.01 0.38 -4.96 121.20 121.34 1tio s ILE 83 Ca 0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1tio s ILE 83 Cb -0.19 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1tio s ILE 83 CO 0.04 0.34 1.05 -0.44 0.00 0.00 0.00 174.94 175.93 1tio s SER 84 N 0.93 5.94 0.13 3.58 0.01 -1.26 0.46 113.70 123.48 1tio s SER 84 Ca -0.10 1.82 -0.29 0.00 1.31 0.00 0.00 55.95 58.69 1tio s SER 84 Cb -0.15 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1tio s SER 84 CO 0.01 -1.06 0.92 0.00 0.41 0.00 0.00 173.24 173.52 1tio s ALA 85 N -2.39 3.29 -0.05 1.44 0.00 -0.84 -0.79 121.76 122.41 1tio s ALA 85 Ca 0.64 0.54 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1tio s ALA 85 Cb -0.16 -3.21 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 1tio s ALA 85 CO 0.34 0.05 0.62 0.66 0.00 0.00 0.00 175.76 177.43 1tio h SER 86 N 5.24 0.15 -4.62 0.00 4.64 -0.09 -3.43 113.55 115.43 1tio h SER 86 Ca -0.44 -0.32 -0.07 0.00 -0.47 0.00 0.00 61.79 60.50 1tio h SER 86 Cb 1.21 -0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 63.05 1tio h SER 86 CO 0.71 1.28 0.09 -1.59 -0.87 0.00 0.00 176.83 176.44 1tio s LYS 87 N -2.59 0.91 -0.05 4.77 -2.85 -1.18 -5.01 119.74 113.73 1tio s LYS 87 Ca -0.10 0.45 0.06 0.00 -1.00 0.00 0.00 55.97 55.38 1tio s LYS 87 Cb 0.08 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1tio s LYS 87 CO 0.81 -0.23 -0.23 -1.12 0.10 0.00 0.00 175.35 174.68 1tio s SER 88 N -0.64 2.87 -0.26 0.03 0.01 -1.26 -0.61 113.70 113.83 1tio s SER 88 Ca -0.07 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1tio s SER 88 Cb -0.02 -0.77 0.07 0.00 0.21 0.00 0.00 66.02 65.51 1tio s SER 88 CO 0.06 0.23 0.01 -0.63 0.41 0.00 0.00 173.24 173.32 1tio s ILE 89 N -0.14 1.32 0.29 1.44 1.01 0.79 -4.99 121.20 120.93 1tio s ILE 89 Ca -0.03 -1.30 -0.26 0.00 0.00 0.00 0.00 60.65 59.06 1tio s ILE 89 Cb -0.13 -1.76 -0.09 0.00 0.01 0.00 0.00 42.46 40.48 1tio s ILE 89 CO 0.03 -0.31 0.91 -0.69 0.00 0.00 0.00 174.94 174.88 1tio s VAL 90 N 1.45 4.25 0.25 2.92 1.01 -1.26 -0.89 120.40 128.13 1tio s VAL 90 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1tio s VAL 90 Cb -0.18 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1tio s VAL 90 CO -0.11 0.20 1.33 1.57 0.00 0.00 0.00 175.10 178.09 1tio n HIS 91 N 0.71 1.99 -0.34 5.22 -0.00 -0.94 -4.87 115.22 116.99 1tio n HIS 91 Ca 0.01 0.50 0.16 0.00 0.46 0.00 0.00 57.72 58.85 1tio n HIS 91 Cb 0.50 -2.41 0.37 0.00 -0.12 0.00 0.00 29.99 28.33 1tio n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1tio h PRO 92 N 3.70 0.62 -0.67 1.57 0.13 -1.93 -2.21 132.00 133.21 1tio h PRO 92 Ca -0.44 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1tio h PRO 92 Cb 1.29 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1tio h PRO 92 CO 0.72 0.41 0.09 0.43 -0.23 0.00 0.00 178.00 179.42 1tio n SER 93 N -4.79 5.21 -4.71 1.44 7.64 -1.26 -4.98 113.62 112.17 1tio n SER 93 Ca 0.25 -2.97 -0.42 0.00 1.01 0.00 0.00 58.87 56.73 1tio n SER 93 Cb 0.68 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1tio n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1tio s TYR 94 N -2.73 2.73 -0.33 1.43 5.04 -0.83 -4.67 117.35 117.98 1tio s TYR 94 Ca 0.52 0.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 1tio s TYR 94 Cb 0.40 -4.02 0.08 0.00 0.35 0.00 0.00 41.96 38.78 1tio s TYR 94 CO 0.14 -3.93 0.04 1.21 -1.34 0.00 0.00 175.55 171.68 1tio s ASN 95 N 1.72 4.84 0.63 4.32 3.84 -0.81 -4.99 114.94 124.49 1tio s ASN 95 Ca 0.74 -1.81 0.39 0.00 0.21 0.00 0.00 52.86 52.38 1tio s ASN 95 Cb -0.44 -1.68 2.11 0.00 -0.55 0.00 0.00 41.25 40.70 1tio s ASN 95 CO 0.32 -0.36 2.29 0.77 -2.79 0.00 0.00 177.10 177.34 1tio h SER 96 N 7.82 0.00 0.93 -4.21 4.64 -1.94 0.52 113.55 121.31 1tio h SER 96 Ca -0.12 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.00 1tio h SER 96 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1tio h SER 96 CO 0.55 0.01 -0.93 0.78 -0.87 0.00 0.00 176.83 176.37 1tio h ASN 97 N 0.00 0.00 0.00 4.97 2.35 -1.97 -3.35 115.58 117.59 1tio h ASN 97 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tio h ASN 97 Cb 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1tio h ASN 97 CO 0.00 0.93 -0.45 0.35 -1.65 0.00 0.00 177.43 176.62 1tio n THR 98 N -3.43 0.00 -1.32 2.81 -2.24 -1.00 -4.99 114.28 104.11 1tio n THR 98 Ca -0.00 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1tio n THR 98 Cb 0.88 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 1tio n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1tio n LEU 99 N -1.24 -0.65 -4.74 3.22 4.77 0.18 -4.97 117.00 113.57 1tio n LEU 99 Ca 0.01 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 1tio n LEU 99 Cb 0.11 -2.04 -0.03 0.00 -2.33 0.00 0.00 43.42 39.12 1tio n LEU 99 CO 0.12 -0.72 0.90 0.21 -1.33 0.00 0.00 177.39 176.57 1tio s ASN 100 N -2.66 7.05 -0.75 -1.43 2.47 -1.20 -2.99 114.94 115.42 1tio s ASN 100 Ca 0.00 2.28 -0.04 0.00 0.42 0.00 0.00 52.86 55.52 1tio s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1tio s ASN 100 CO 0.00 -0.40 0.65 0.59 -3.72 0.00 0.00 177.10 174.23 1tio n ASN 101 N 2.40 -4.16 -4.58 -4.21 3.02 -1.26 -1.92 115.26 104.54 1tio n ASN 101 Ca 0.04 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1tio n ASN 101 Cb 0.44 -3.04 -0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1tio n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tio s ASP 102 N -3.25 6.72 -0.11 6.41 2.15 -1.16 -4.37 116.67 123.06 1tio s ASP 102 Ca 0.29 -2.40 -0.17 0.00 0.43 0.00 0.00 52.55 50.70 1tio s ASP 102 Cb -0.13 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1tio s ASP 102 CO 0.41 -1.29 0.43 -0.51 -0.17 0.00 0.00 175.17 174.03 1tio s ILE 103 N 4.66 0.02 -0.00 4.11 2.07 -1.26 -3.94 121.20 126.86 1tio s ILE 103 Ca 0.55 -0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.57 1tio s ILE 103 Cb 0.04 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.98 1tio s ILE 103 CO 0.08 -0.07 0.17 -0.32 -1.91 0.00 0.00 174.94 172.89 1tio s MET 104 N -0.35 0.52 -0.04 3.50 -2.45 -0.30 -2.22 119.30 117.95 1tio s MET 104 Ca -0.05 -0.36 0.04 0.00 -1.25 0.00 0.00 55.69 54.08 1tio s MET 104 Cb -0.03 0.22 -0.02 0.00 1.25 0.00 0.00 34.83 36.24 1tio s MET 104 CO 0.03 -0.13 -0.16 -0.51 1.05 0.00 0.00 175.02 175.29 1tio s LEU 105 N -1.36 2.61 -0.10 4.11 1.43 -0.07 -1.08 118.68 124.21 1tio s LEU 105 Ca -0.14 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1tio s LEU 105 Cb -0.07 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1tio s LEU 105 CO 0.02 0.34 -0.11 -0.63 0.23 0.00 0.00 176.35 176.20 1tio s ILE 106 N -0.70 1.18 -0.13 -0.59 1.01 0.54 -0.15 121.20 122.36 1tio s ILE 106 Ca 0.11 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1tio s ILE 106 Cb -0.11 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1tio s ILE 106 CO 0.00 0.38 0.22 -0.75 0.00 0.00 0.00 174.94 174.80 1tio s LYS 107 N 1.27 3.92 0.31 2.79 2.20 0.22 -0.88 119.74 129.57 1tio s LYS 107 Ca -0.03 -0.00 -0.20 0.00 -0.36 0.00 0.00 55.97 55.38 1tio s LYS 107 Cb -0.14 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1tio s LYS 107 CO -0.04 0.50 0.81 -0.51 -0.36 0.00 0.00 175.35 175.75 1tio s LEU 108 N -0.28 4.19 0.50 5.43 1.43 -0.13 0.58 118.68 130.39 1tio s LEU 108 Ca 0.15 1.51 0.18 0.00 -1.03 0.00 0.00 54.13 54.94 1tio s LEU 108 Cb -0.13 -3.99 1.23 0.00 0.03 0.00 0.00 46.19 43.33 1tio s LEU 108 CO 0.04 -0.13 2.09 0.11 0.23 0.00 0.00 176.35 178.69 1tio h LYS 109 N 2.76 0.00 -3.55 1.70 1.57 -1.24 -3.41 116.57 114.40 1tio h LYS 109 Ca -0.48 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 1tio h LYS 109 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1tio h LYS 109 CO 0.64 0.09 -0.44 -1.54 -0.57 0.00 0.00 179.45 177.64 1tio s SER 110 N -6.87 0.04 0.51 0.86 1.04 -1.26 -4.98 113.70 103.03 1tio s SER 110 Ca -0.04 -0.31 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1tio s SER 110 Cb 0.16 0.25 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1tio s SER 110 CO 0.66 -0.48 1.18 0.00 0.98 0.00 0.00 173.24 175.58 1tio s ALA 111 N -2.09 2.83 0.51 5.32 0.00 -1.26 -4.85 121.76 122.21 1tio s ALA 111 Ca -0.09 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1tio s ALA 111 Cb -0.04 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1tio s ALA 111 CO -0.02 -0.81 0.92 0.00 0.00 0.00 0.00 175.76 175.86 1tio s ALA 112 N -1.59 3.19 -0.39 0.00 0.00 0.80 -5.00 121.76 118.76 1tio s ALA 112 Ca 0.68 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 1tio s ALA 112 Cb -0.28 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1tio s ALA 112 CO 0.33 -0.32 0.57 -1.12 0.00 0.00 0.00 175.76 175.23 1tio s SER 113 N -3.52 6.33 0.14 0.00 0.01 -1.26 -4.84 113.70 110.56 1tio s SER 113 Ca 0.55 -0.17 -0.24 0.00 1.31 0.00 0.00 55.95 57.39 1tio s SER 113 Cb -0.10 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1tio s SER 113 CO 0.39 -0.62 0.74 -0.76 0.41 0.00 0.00 173.24 173.41 1tio s LEU 114 N 2.57 4.58 0.00 2.44 1.43 -1.26 -4.81 118.68 123.63 1tio s LEU 114 Ca 0.20 1.57 -0.05 0.00 -1.03 0.00 0.00 54.13 54.83 1tio s LEU 114 Cb -0.15 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1tio s LEU 114 CO 0.16 0.21 0.35 -0.46 0.23 0.00 0.00 176.35 176.83 1tio n ASN 115 N 1.69 -1.00 0.28 2.29 0.23 0.14 -4.97 115.26 113.92 1tio n ASN 115 Ca -0.06 -1.94 0.14 0.00 -0.53 0.00 0.00 54.58 52.19 1tio n ASN 115 Cb 0.49 1.74 0.84 0.00 -2.08 0.00 0.00 39.78 40.78 1tio n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1tio h SER 116 N 1.07 0.00 0.57 0.53 4.64 -1.99 -2.65 113.55 115.72 1tio h SER 116 Ca -0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 1tio h SER 116 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1tio h SER 116 CO 0.22 0.06 -1.52 0.54 -0.87 0.00 0.00 176.83 175.26 1tio n ARG 117 N -3.69 0.63 -3.86 4.77 1.74 -1.26 -4.71 116.66 110.28 1tio n ARG 117 Ca -0.02 0.09 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 1tio n ARG 117 Cb 0.16 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 29.72 1tio n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tio s VAL 118 N -3.12 1.30 0.06 1.55 1.01 -1.00 -4.36 120.40 115.84 1tio s VAL 118 Ca -0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 1tio s VAL 118 Cb 0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1tio s VAL 118 CO 0.83 -0.36 -0.04 0.00 0.00 0.00 0.00 175.10 175.52 1tio s ALA 119 N 1.45 0.57 0.38 5.51 0.00 -0.82 0.24 121.76 129.10 1tio s ALA 119 Ca 0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1tio s ALA 119 Cb -0.18 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1tio s ALA 119 CO -0.12 -0.30 0.64 -1.54 0.00 0.00 0.00 175.76 174.44 1tio s SER 120 N -2.71 6.35 -0.07 0.00 1.04 -1.26 -2.87 113.70 114.17 1tio s SER 120 Ca 0.05 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 1tio s SER 120 Cb 0.04 -2.16 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 1tio s SER 120 CO -0.07 -0.36 -0.01 -0.51 0.98 0.00 0.00 173.24 173.26 1tio s ILE 121 N -2.39 4.17 0.43 -1.02 1.10 0.54 -4.89 121.20 119.13 1tio s ILE 121 Ca 0.44 -0.34 -0.23 0.00 -0.51 0.00 0.00 60.65 60.02 1tio s ILE 121 Cb -0.10 -2.75 -0.09 0.00 0.15 0.00 0.00 42.46 39.67 1tio s ILE 121 CO 0.37 0.58 1.06 -0.44 -2.11 0.00 0.00 174.94 174.40 1tio s SER 122 N -0.94 6.57 0.35 4.50 0.01 -1.26 -4.55 113.70 118.38 1tio s SER 122 Ca 0.14 2.05 -0.15 0.00 1.31 0.00 0.00 55.95 59.30 1tio s SER 122 Cb -0.11 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 1tio s SER 122 CO 0.03 -0.63 0.76 -0.76 0.41 0.00 0.00 173.24 173.06 1tio s LEU 123 N -2.90 4.00 0.56 2.44 1.43 -1.26 -1.33 118.68 121.61 1tio s LEU 123 Ca 0.61 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.85 1tio s LEU 123 Cb -0.22 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.83 1tio s LEU 123 CO 0.27 -0.26 1.01 -2.16 0.23 0.00 0.00 176.35 175.44 1tio s PRO 124 N -3.19 3.70 -0.01 1.29 0.04 -1.26 -4.82 135.00 130.75 1tio s PRO 124 Ca 0.54 0.98 0.20 0.00 0.04 0.00 0.00 61.00 62.77 1tio s PRO 124 Cb -0.10 -2.10 -0.27 0.00 0.04 0.00 0.00 34.50 32.08 1tio s PRO 124 CO 0.20 -0.49 0.67 0.25 0.04 0.00 0.00 177.00 177.67 1tio n THR 125 N -1.94 0.00 -3.92 1.26 -2.24 -1.26 -4.94 114.28 101.24 1tio n THR 125 Ca 0.07 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1tio n THR 125 Cb 0.54 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 1tio n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tio s SER 127 N -3.61 0.20 0.39 3.42 1.04 -1.26 -5.15 113.70 108.74 1tio s SER 127 Ca 0.00 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 1tio s SER 127 Cb 0.14 0.28 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1tio s SER 127 CO 0.84 -0.63 1.05 0.00 0.98 0.00 0.00 173.24 175.48 1tio s ALA 129 N -1.65 3.33 0.51 0.00 0.00 -1.26 -5.06 121.76 117.63 1tio s ALA 129 Ca 0.57 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 1tio s ALA 129 Cb -0.22 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1tio s ALA 129 CO 0.28 0.28 0.80 -1.12 0.00 0.00 0.00 175.76 176.00 1tio s SER 130 N -1.77 6.01 0.32 0.00 0.01 -1.26 -5.02 113.70 111.98 1tio s SER 130 Ca 0.47 0.78 -0.29 0.00 1.31 0.00 0.00 55.95 58.22 1tio s SER 130 Cb -0.16 -2.00 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 1tio s SER 130 CO 0.20 -0.73 1.47 0.00 0.41 0.00 0.00 173.24 174.59 1tio s ALA 132 N -2.79 3.61 0.00 1.44 0.00 -1.26 -2.28 121.76 120.48 1tio s ALA 132 Ca 0.49 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1tio s ALA 132 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1tio s ALA 132 CO 0.44 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1tio n GLY 133 N 1.28 0.13 3.74 0.00 0.00 0.74 -4.95 105.19 106.13 1tio n GLY 133 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1tio n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tio s THR 134 N -2.00 4.25 0.01 2.61 2.01 -0.97 -4.75 115.64 116.80 1tio s THR 134 Ca 0.00 1.99 -0.22 0.00 0.31 0.00 0.00 61.69 63.77 1tio s THR 134 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1tio s THR 134 CO 0.00 0.37 0.66 -1.58 -0.69 0.00 0.00 174.62 173.38 1tio s GLN 135 N -0.45 4.39 0.24 4.92 0.74 -1.26 -0.52 119.66 127.72 1tio s GLN 135 Ca 0.45 0.86 0.05 0.00 0.05 0.00 0.00 55.36 56.77 1tio s GLN 135 Cb -0.25 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1tio s GLN 135 CO 0.32 0.32 -0.05 0.00 -0.55 0.00 0.00 175.29 175.32 1tio s LEU 137 N -3.36 3.17 -0.04 0.00 2.96 0.49 -1.00 118.68 120.90 1tio s LEU 137 Ca 0.28 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1tio s LEU 137 Cb 0.04 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1tio s LEU 137 CO 0.09 -0.07 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.36 1tio s ILE 138 N 1.47 3.70 0.05 6.68 1.01 0.74 -1.56 121.20 133.29 1tio s ILE 138 Ca 0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1tio s ILE 138 Cb -0.15 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1tio s ILE 138 CO -0.02 0.52 0.17 -0.94 0.00 0.00 0.00 174.94 174.68 1tio s SER 139 N -1.04 0.08 0.00 3.58 1.04 -1.23 -0.49 113.70 115.65 1tio s SER 139 Ca 0.14 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1tio s SER 139 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1tio s SER 139 CO 0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1tio n GLY 140 N 0.55 0.64 1.82 7.32 0.00 -0.62 -4.40 105.19 110.50 1tio n GLY 140 Ca -0.18 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 1tio n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tio n TRP 141 N -0.51 2.30 -2.22 1.61 8.01 -1.26 -2.23 117.44 123.14 1tio n TRP 141 Ca 0.00 -1.97 -0.26 0.00 -1.31 0.00 0.00 57.50 53.95 1tio n TRP 141 Cb 0.00 -0.81 0.12 0.00 -2.01 0.00 0.00 31.31 28.61 1tio n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1tio s GLY 142 N -2.04 1.74 0.38 6.99 0.00 -1.25 -4.49 107.32 108.65 1tio s GLY 142 Ca 0.53 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.77 1tio s GLY 142 CO 0.04 -0.67 0.72 -2.01 0.00 0.00 0.00 173.10 171.18 1tio n ASN 143 N -3.18 -0.08 -0.55 1.64 5.15 0.21 -2.49 115.26 115.97 1tio n ASN 143 Ca 0.12 1.00 0.06 0.00 -0.60 0.00 0.00 54.58 55.16 1tio n ASN 143 Cb 0.60 -1.18 0.10 0.00 -0.53 0.00 0.00 39.78 38.77 1tio n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1tio n THR 144 N -0.55 0.47 -5.13 -0.44 -2.24 -0.51 -1.17 114.28 104.71 1tio n THR 144 Ca 0.11 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1tio n THR 144 Cb 0.37 0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 69.33 1tio n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tio s LYS 145 N -0.97 2.00 0.31 -0.78 1.02 -1.26 -4.33 119.74 115.73 1tio s LYS 145 Ca 0.18 -0.82 0.15 0.00 0.02 0.00 0.00 55.97 55.51 1tio s LYS 145 Cb 0.11 -1.85 0.44 0.00 -0.52 0.00 0.00 37.83 36.01 1tio s LYS 145 CO 0.15 0.44 1.63 0.66 -0.92 0.00 0.00 175.35 177.31 1tio h SER 146 N 5.76 0.00 -3.28 2.83 4.64 -1.95 -3.41 113.55 118.13 1tio h SER 146 Ca -0.38 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.45 1tio h SER 146 Cb 1.15 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.88 1tio h SER 146 CO 0.47 0.51 -0.79 -0.44 -0.87 0.00 0.00 176.83 175.71 1tio s SER 147 N -6.58 1.81 0.00 4.97 0.01 -1.26 -4.61 113.70 108.04 1tio s SER 147 Ca 0.00 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1tio s SER 147 Cb 0.11 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1tio s SER 147 CO 0.73 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1tio n GLY 148 N 4.61 -3.37 3.05 3.44 0.00 -1.26 -5.02 105.19 106.64 1tio n GLY 148 Ca -0.16 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.65 1tio n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tio s THR 149 N -0.69 0.85 -0.30 2.61 2.01 -1.26 -4.62 115.64 114.24 1tio s THR 149 Ca 0.00 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1tio s THR 149 Cb 0.00 -0.71 0.19 0.00 0.01 0.00 0.00 72.50 71.99 1tio s THR 149 CO 0.00 0.23 0.82 -0.55 -0.69 0.00 0.00 174.62 174.43 1tio s SER 150 N -0.28 -1.00 -0.22 3.53 0.15 -1.26 -4.98 113.70 109.64 1tio s SER 150 Ca 0.04 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.83 1tio s SER 150 Cb -0.04 1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 65.92 1tio s SER 150 CO -0.00 -0.18 0.26 -0.31 1.20 0.00 0.00 173.24 174.20 1tio s TYR 151 N 2.90 3.34 0.70 3.44 1.51 -1.26 -1.42 117.35 126.56 1tio s TYR 151 Ca 0.15 0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 56.50 1tio s TYR 151 Cb -0.08 -2.37 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1tio s TYR 151 CO -0.22 0.05 1.06 -1.25 -1.11 0.00 0.00 175.55 174.08 1tio s PRO 152 N 1.13 2.92 -0.09 -1.71 0.04 -1.26 -5.00 135.00 131.03 1tio s PRO 152 Ca 0.12 0.87 0.20 0.00 0.04 0.00 0.00 61.00 62.23 1tio s PRO 152 Cb -0.14 -1.99 -0.30 0.00 0.04 0.00 0.00 34.50 32.11 1tio s PRO 152 CO 0.06 -1.09 0.32 -0.25 0.04 0.00 0.00 177.00 176.08 1tio n ASP 153 N -3.11 0.19 -4.79 6.66 8.00 -1.26 -4.91 116.55 117.33 1tio n ASP 153 Ca 0.07 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1tio n ASP 153 Cb 0.54 1.61 -0.05 0.00 -0.02 0.00 0.00 41.12 43.20 1tio n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1tio s VAL 154 N -3.10 4.29 0.10 2.53 -7.23 -1.26 -1.07 120.40 114.67 1tio s VAL 154 Ca -0.08 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.33 1tio s VAL 154 Cb 0.11 -3.30 -0.09 0.00 0.56 0.00 0.00 36.38 33.66 1tio s VAL 154 CO 0.85 -0.33 1.58 -0.22 -0.31 0.00 0.00 175.10 176.68 1tio s LEU 155 N -3.73 4.36 -0.04 1.32 2.96 -1.17 -4.84 118.68 117.54 1tio s LEU 155 Ca 0.32 2.50 -0.02 0.00 -0.22 0.00 0.00 54.13 56.71 1tio s LEU 155 Cb -0.08 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1tio s LEU 155 CO 0.24 -0.83 0.09 -0.54 -1.32 0.00 0.00 176.35 173.99 1tio s LYS 156 N 1.94 3.17 0.18 1.98 -0.14 -0.95 -1.62 119.74 124.30 1tio s LYS 156 Ca 0.71 -0.38 0.10 0.00 -1.36 0.00 0.00 55.97 55.04 1tio s LYS 156 Cb -0.40 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1tio s LYS 156 CO 0.31 0.69 -0.20 0.00 -0.76 0.00 0.00 175.35 175.39 1tio s LEU 158 N -2.74 -0.01 -0.24 0.00 2.96 0.35 -0.91 118.68 118.09 1tio s LEU 158 Ca 0.18 0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 54.87 1tio s LEU 158 Cb -0.06 1.34 -0.04 0.00 0.50 0.00 0.00 46.19 47.92 1tio s LEU 158 CO 0.08 -0.19 0.13 -0.54 -1.32 0.00 0.00 176.35 174.52 1tio s LYS 159 N 1.24 3.93 -0.01 1.98 1.02 -1.26 -0.19 119.74 126.45 1tio s LYS 159 Ca -0.08 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.50 1tio s LYS 159 Cb -0.08 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1tio s LYS 159 CO -0.11 -0.02 0.13 0.00 -0.92 0.00 0.00 175.35 174.43 1tio s ALA 160 N 1.24 -0.32 0.37 5.17 0.00 -0.17 -4.94 121.76 123.12 1tio s ALA 160 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1tio s ALA 160 Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1tio s ALA 160 CO 0.05 -0.18 0.64 -1.25 0.00 0.00 0.00 175.76 175.03 1tio s PRO 161 N -1.10 3.59 0.09 0.00 0.04 -1.26 0.36 135.00 136.73 1tio s PRO 161 Ca -0.12 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.66 1tio s PRO 161 Cb -0.06 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1tio s PRO 161 CO 0.01 0.05 1.04 0.42 0.04 0.00 0.00 177.00 178.56 1tio s ILE 162 N -2.35 4.38 0.44 0.56 1.01 0.32 -1.95 121.20 123.61 1tio s ILE 162 Ca 0.45 1.87 -0.06 0.00 0.00 0.00 0.00 60.65 62.90 1tio s ILE 162 Cb -0.10 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1tio s ILE 162 CO 0.36 0.24 0.75 -0.76 0.00 0.00 0.00 174.94 175.52 1tio s LEU 163 N 0.34 3.73 0.57 2.97 1.43 0.48 -0.18 118.68 128.02 1tio s LEU 163 Ca 0.51 0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 1tio s LEU 163 Cb -0.25 -3.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1tio s LEU 163 CO 0.30 -0.49 1.17 -0.94 0.23 0.00 0.00 176.35 176.62 1tio s SER 164 N -3.79 5.44 0.43 2.29 1.04 -1.26 -4.58 113.70 113.26 1tio s SER 164 Ca 0.48 2.29 0.10 0.00 0.48 0.00 0.00 55.95 59.30 1tio s SER 164 Cb -0.10 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.36 1tio s SER 164 CO 0.40 -1.42 2.03 0.44 0.98 0.00 0.00 173.24 175.67 1tio h ASP 165 N 1.03 0.28 0.10 7.02 3.32 -1.97 -1.28 116.42 124.92 1tio h ASP 165 Ca -0.50 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1tio h ASP 165 Cb 1.28 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1tio h ASP 165 CO 0.56 0.27 -0.05 -1.28 -1.72 0.00 0.00 179.24 177.02 1tio h SER 166 N 0.31 -0.12 0.08 6.45 0.87 -1.99 0.21 113.55 119.37 1tio h SER 166 Ca 0.08 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1tio h SER 166 Cb 0.10 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1tio h SER 166 CO -0.01 -0.08 -0.28 0.77 -0.53 0.00 0.00 176.83 176.71 1tio h SER 167 N -0.14 0.31 -0.16 6.23 4.64 -1.87 -0.82 113.55 121.76 1tio h SER 167 Ca -0.01 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1tio h SER 167 Cb 0.11 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1tio h SER 167 CO 0.02 0.59 0.03 0.00 -0.87 0.00 0.00 176.83 176.60 1tio h LYS 169 N 0.04 0.00 -0.16 0.00 1.57 -0.45 -1.34 116.57 116.23 1tio h LYS 169 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1tio h LYS 169 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1tio h LYS 169 CO 0.00 0.57 -0.49 0.66 -0.57 0.00 0.00 179.45 179.63 1tio h SER 170 N 0.00 0.46 0.09 0.86 4.64 -1.03 -1.48 113.55 117.10 1tio h SER 170 Ca -0.01 -0.23 -0.16 0.00 -0.47 0.00 0.00 61.79 60.92 1tio h SER 170 Cb 1.06 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1tio h SER 170 CO 0.07 0.88 -0.59 0.00 -0.87 0.00 0.00 176.83 176.32 1tio h ALA 171 N 1.14 0.69 -2.10 5.18 0.00 -0.78 -3.36 119.26 120.02 1tio h ALA 171 Ca 0.02 -0.53 -0.58 0.00 0.00 0.00 0.00 54.91 53.81 1tio h ALA 171 Cb 0.98 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.29 1tio h ALA 171 CO 0.09 0.70 -0.84 0.66 0.00 0.00 0.00 179.25 179.86 1tio n TYR 172 N -3.93 1.71 -1.65 0.00 4.01 -0.54 -4.92 117.16 111.84 1tio n TYR 172 Ca -0.03 -3.87 -0.46 0.00 -0.16 0.00 0.00 57.90 53.38 1tio n TYR 172 Cb 0.63 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1tio n TYR 172 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1tio n PRO 173 N 1.12 1.89 -1.00 -0.72 -0.04 -0.57 -2.21 135.00 133.46 1tio n PRO 173 Ca 0.26 0.68 -0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1tio n PRO 173 Cb 0.47 -2.32 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1tio n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tio n GLY 174 N 2.25 0.24 0.00 0.55 0.00 -1.26 -4.83 105.19 102.13 1tio n GLY 174 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1tio n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tio n GLN 175 N -0.79 1.25 -3.02 1.61 6.02 -0.94 -5.01 117.38 116.50 1tio n GLN 175 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1tio n GLN 175 Cb 0.28 -0.90 -0.06 0.00 1.02 0.00 0.00 30.24 30.59 1tio n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tio s ILE 176 N -1.75 4.89 0.57 5.09 -1.09 -1.24 -5.03 121.20 122.64 1tio s ILE 176 Ca 0.00 1.16 0.07 0.00 -2.23 0.00 0.00 60.65 59.66 1tio s ILE 176 Cb 0.00 -4.04 0.08 0.00 -1.58 0.00 0.00 42.46 36.92 1tio s ILE 176 CO 0.00 -0.11 0.79 0.42 -1.23 0.00 0.00 174.94 174.81 1tio s THR 177 N 2.72 2.30 -0.39 2.92 -4.23 -1.26 -4.98 115.64 112.71 1tio s THR 177 Ca 0.29 -0.92 0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1tio s THR 177 Cb -0.15 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.55 1tio s THR 177 CO 0.10 0.00 1.71 -1.54 -0.54 0.00 0.00 174.62 174.35 1tio n SER 178 N -2.29 0.66 -1.40 3.99 3.41 -1.26 -2.12 113.62 114.62 1tio n SER 178 Ca 0.14 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.52 1tio n SER 178 Cb 0.61 -0.82 0.30 0.00 -0.26 0.00 0.00 64.21 64.03 1tio n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tio n ASN 179 N -2.27 4.11 -4.17 4.04 3.02 -1.26 -4.89 115.26 113.84 1tio n ASN 179 Ca 0.01 -2.44 -0.14 0.00 -0.03 0.00 0.00 54.58 51.98 1tio n ASN 179 Cb 0.18 -0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1tio n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tio s MET 180 N -1.92 0.83 -0.01 3.52 -1.94 -0.90 -0.82 119.30 118.05 1tio s MET 180 Ca 0.42 -1.15 -0.16 0.00 -1.71 0.00 0.00 55.69 53.08 1tio s MET 180 Cb 0.28 -0.48 0.03 0.00 2.01 0.00 0.00 34.83 36.66 1tio s MET 180 CO 0.18 0.07 0.35 -0.59 -0.01 0.00 0.00 175.02 175.02 1tio s PHE 181 N -2.51 -0.23 -0.00 -0.03 -0.12 -0.24 -4.79 117.98 110.07 1tio s PHE 181 Ca 0.05 0.33 -0.04 0.00 -0.05 0.00 0.00 56.93 57.23 1tio s PHE 181 Cb -0.02 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1tio s PHE 181 CO -0.00 -0.42 0.21 0.00 -0.05 0.00 0.00 175.22 174.95 1tio s ALA 183 N -1.33 -0.52 0.00 0.00 0.00 -0.99 -0.39 121.76 118.53 1tio s ALA 183 Ca 0.28 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1tio s ALA 183 Cb -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1tio s ALA 183 CO 0.18 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1tio n GLY 184 N 2.77 0.69 2.86 0.00 0.00 -0.82 -2.82 105.19 107.86 1tio n GLY 184 Ca -0.14 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 1tio n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tio s TYR 184 N -3.81 0.89 0.43 1.61 2.02 -1.26 -4.46 117.35 112.76 1tio s TYR 184 Ca 0.00 -0.30 0.32 0.00 -0.37 0.00 0.00 57.07 56.72 1tio s TYR 184 Cb 0.00 -0.83 1.66 0.00 -0.40 0.00 0.00 41.96 42.38 1tio s TYR 184 CO 0.00 -0.30 2.13 -0.07 -1.57 0.00 0.00 175.55 175.74 1tio h LEU 185 N 7.75 0.00 -0.91 -1.29 3.38 -1.95 -0.29 115.31 121.99 1tio h LEU 185 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1tio h LEU 185 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1tio h LEU 185 CO 0.38 0.07 -0.17 1.05 0.09 0.00 0.00 178.44 179.87 1tio h GLU 186 N 0.00 0.00 0.00 1.13 9.09 -1.95 0.61 114.58 123.46 1tio h GLU 186 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tio h GLU 186 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1tio h GLU 186 CO 0.01 0.17 0.00 0.41 0.05 0.00 0.00 179.01 179.64 1tio n GLY 187 N 0.38 -1.78 2.94 1.06 0.00 -0.12 -4.35 105.19 103.32 1tio n GLY 187 Ca 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1tio n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tio n GLY 188 N 0.00 2.78 2.92 -0.02 0.00 -0.02 -4.85 105.19 106.00 1tio n GLY 188 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1tio n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tio s LYS 188 N -0.08 0.72 0.00 1.61 1.02 -1.26 -3.78 119.74 117.97 1tio s LYS 188 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1tio s LYS 188 Cb 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1tio s LYS 188 CO 0.00 -0.01 0.00 -3.47 -0.92 0.00 0.00 175.35 170.95 1tio n ASP 189 N 3.70 0.00 -4.24 2.83 2.03 -0.90 -4.33 116.55 115.64 1tio n ASP 189 Ca -0.22 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.79 1tio n ASP 189 Cb 0.53 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.10 1tio n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1tio s SER 190 N 0.00 3.32 0.34 1.67 1.04 -1.26 -0.91 113.70 117.90 1tio s SER 190 Ca 0.00 0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1tio s SER 190 Cb 0.00 -0.43 0.06 0.00 0.10 0.00 0.00 66.02 65.75 1tio s SER 190 CO 0.00 -2.61 0.80 0.00 0.98 0.00 0.00 173.24 172.41 1tio n GLN 192 N -0.54 0.90 0.00 0.00 3.00 -1.26 -0.55 117.38 118.93 1tio n GLN 192 Ca -0.07 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1tio n GLN 192 Cb 0.56 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 28.97 1tio n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tio n GLY 193 N 2.08 2.77 0.13 1.08 0.00 -1.26 -0.62 105.19 109.36 1tio n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1tio n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tio h ASP 194 N 0.00 0.00 -1.48 1.61 3.32 -1.13 -3.34 116.42 115.39 1tio h ASP 194 Ca 0.00 -0.02 -0.69 0.00 0.02 0.00 0.00 57.03 56.34 1tio h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1tio h ASP 194 CO 0.00 0.01 0.02 -1.20 -1.72 0.00 0.00 179.24 176.35 1tio n SER 195 N -2.69 0.37 0.00 6.45 7.64 -1.25 -1.17 113.62 122.97 1tio n SER 195 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1tio n SER 195 Cb 0.54 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1tio n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tio n GLY 196 N 1.86 1.93 3.69 0.23 0.00 -0.15 -0.58 105.19 112.18 1tio n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1tio n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tio s GLY 197 N -2.06 1.57 0.40 -0.02 0.00 -0.31 -3.06 107.32 103.84 1tio s GLY 197 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.23 1tio s GLY 197 CO 0.00 0.24 0.79 2.56 0.00 0.00 0.00 173.10 176.69 1tio s PRO 198 N -4.99 3.86 -0.28 2.90 0.04 -1.26 -1.29 135.00 133.98 1tio s PRO 198 Ca 0.65 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1tio s PRO 198 Cb -0.18 -2.36 0.09 0.00 0.04 0.00 0.00 34.50 32.08 1tio s PRO 198 CO 0.57 -0.02 0.08 0.08 0.04 0.00 0.00 177.00 177.75 1tio s VAL 199 N -2.31 0.75 -0.19 -0.36 1.01 -0.47 -3.48 120.40 115.34 1tio s VAL 199 Ca 0.53 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1tio s VAL 199 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1tio s VAL 199 CO 0.28 -0.53 0.01 -0.69 0.00 0.00 0.00 175.10 174.17 1tio s VAL 200 N 1.70 4.18 -0.06 2.92 1.01 -0.60 -0.78 120.40 128.76 1tio s VAL 200 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1tio s VAL 200 Cb -0.17 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1tio s VAL 200 CO -0.21 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.25 1tio n SER 202 N 4.10 -5.37 -0.04 0.00 7.64 -1.26 -1.47 113.62 117.22 1tio n SER 202 Ca -0.22 -0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.53 1tio n SER 202 Cb 0.51 -4.43 -0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1tio n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tio n GLY 203 N -1.19 0.48 3.19 0.23 0.00 -1.26 -5.03 105.19 101.61 1tio n GLY 203 Ca -0.15 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1tio n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tio s LYS 204 N -0.82 1.20 -0.53 1.61 -0.14 -0.54 -4.21 119.74 116.31 1tio s LYS 204 Ca 0.00 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 53.53 1tio s LYS 204 Cb 0.00 -1.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.91 1tio s LYS 204 CO 0.00 0.32 1.52 -1.17 -0.76 0.00 0.00 175.35 175.26 1tio s LEU 209 N -1.01 3.41 -0.03 3.17 2.96 -0.44 -1.13 118.68 125.62 1tio s LEU 209 Ca 0.05 0.46 0.20 0.00 -0.22 0.00 0.00 54.13 54.61 1tio s LEU 209 Cb -0.08 -3.08 -0.30 0.00 0.50 0.00 0.00 46.19 43.23 1tio s LEU 209 CO 0.01 -1.78 0.44 0.00 -1.32 0.00 0.00 176.35 173.70 1tio n GLN 210 N 8.66 0.59 -3.84 1.98 1.13 0.04 -4.09 117.38 121.85 1tio n GLN 210 Ca 0.15 -0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 54.94 1tio n GLN 210 Cb 0.49 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 1tio n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1tio s GLY 211 N -4.21 0.15 -0.06 1.08 0.00 -0.78 -2.15 107.32 101.34 1tio s GLY 211 Ca -0.07 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1tio s GLY 211 CO 0.81 -0.47 -0.15 -0.42 0.00 0.00 0.00 173.10 172.88 1tio s ILE 212 N -3.92 1.31 -0.01 0.90 1.01 -1.10 -1.37 121.20 118.01 1tio s ILE 212 Ca 0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1tio s ILE 212 Cb 0.00 -1.16 -0.08 0.00 0.01 0.00 0.00 42.46 41.23 1tio s ILE 212 CO -0.00 0.39 1.92 -0.69 0.00 0.00 0.00 174.94 176.55 1tio s VAL 213 N 0.39 3.15 0.02 2.92 1.01 -0.41 -1.52 120.40 125.96 1tio s VAL 213 Ca -0.11 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1tio s VAL 213 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1tio s VAL 213 CO 0.04 -0.02 -0.04 -0.24 0.00 0.00 0.00 175.10 174.83 1tio n SER 214 N 7.84 0.71 -2.15 3.32 2.88 -1.08 -0.97 113.62 124.17 1tio n SER 214 Ca 0.20 0.10 -0.06 0.00 -1.33 0.00 0.00 58.87 57.78 1tio n SER 214 Cb 0.42 -0.28 0.02 0.00 -0.75 0.00 0.00 64.21 63.62 1tio n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1tio n TRP 215 N -3.16 -1.84 0.00 0.66 4.27 -0.76 -4.93 117.44 111.69 1tio n TRP 215 Ca -0.02 -1.21 0.00 0.00 -3.89 0.00 0.00 57.50 52.39 1tio n TRP 215 Cb 0.06 0.58 0.00 0.00 -1.36 0.00 0.00 31.31 30.59 1tio n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1tio n GLY 216 N -0.34 1.18 3.44 -1.67 0.00 -1.26 -0.08 105.19 106.45 1tio n GLY 216 Ca -0.05 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 1tio n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tio s SER 217 N 0.00 6.22 0.60 1.61 0.15 -1.26 -4.90 113.70 116.13 1tio s SER 217 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1tio s SER 217 Cb 0.00 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1tio s SER 217 CO 0.00 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1tio n GLY 219 N 5.20 0.34 2.91 9.45 0.00 -1.26 -4.66 105.19 117.17 1tio n GLY 219 Ca -0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1tio n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tio n ALA 221 N 3.75 -0.47 -1.75 0.00 0.00 -1.26 -4.51 120.51 116.27 1tio n ALA 221 Ca -0.21 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1tio n ALA 221 Cb 0.54 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 18.26 1tio n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tio s GLN 221 N -4.20 3.32 0.14 0.00 -1.52 -1.26 -0.84 119.66 115.30 1tio s GLN 221 Ca 0.00 0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 53.93 1tio s GLN 221 Cb 0.00 -2.04 -0.07 0.00 -0.22 0.00 0.00 33.01 30.67 1tio s GLN 221 CO 0.00 -0.79 1.21 0.21 -0.25 0.00 0.00 175.29 175.67 1tio s LYS 222 N -5.13 4.46 -1.65 2.91 2.20 -1.26 -3.10 119.74 118.16 1tio s LYS 222 Ca 0.56 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1tio s LYS 222 Cb -0.12 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1tio s LYS 222 CO 0.54 -0.16 0.00 0.09 -0.36 0.00 0.00 175.35 175.46 1tio n ASN 223 N 3.03 -5.03 -3.20 1.43 5.03 0.21 -4.92 115.26 111.82 1tio n ASN 223 Ca 0.06 0.23 -0.23 0.00 0.87 0.00 0.00 54.58 55.52 1tio n ASN 223 Cb 0.45 -4.06 -0.06 0.00 -1.02 0.00 0.00 39.78 35.09 1tio n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1tio n LYS 224 N -2.56 1.07 -0.98 3.52 4.76 -1.18 -4.80 118.16 118.00 1tio n LYS 224 Ca -0.18 -3.48 -0.28 0.00 -2.87 0.00 0.00 58.31 51.50 1tio n LYS 224 Cb 0.60 -1.49 0.20 0.00 -1.84 0.00 0.00 35.03 32.50 1tio n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1tio s PRO 225 N -1.75 -0.05 0.41 1.97 0.04 -1.26 -4.36 135.00 130.00 1tio s PRO 225 Ca 0.37 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 1tio s PRO 225 Cb 0.22 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 33.00 1tio s PRO 225 CO -0.09 -3.08 1.02 0.20 0.04 0.00 0.00 177.00 175.10 1tio s GLY 226 N -3.17 2.65 -0.16 0.56 0.00 -1.13 -4.59 107.32 101.48 1tio s GLY 226 Ca 0.66 0.63 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 1tio s GLY 226 CO 0.60 1.01 -0.06 0.14 0.00 0.00 0.00 173.10 174.79 1tio s VAL 227 N -1.79 3.64 0.08 1.40 1.01 0.88 -2.36 120.40 123.26 1tio s VAL 227 Ca 0.60 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1tio s VAL 227 Cb -0.19 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1tio s VAL 227 CO 0.24 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.27 1tio s TYR 228 N 0.51 2.12 0.08 5.22 1.51 0.78 -1.82 117.35 125.74 1tio s TYR 228 Ca -0.05 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.31 1tio s TYR 228 Cb -0.15 -1.21 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1tio s TYR 228 CO 0.03 0.19 1.43 0.99 -1.11 0.00 0.00 175.55 177.09 1tio s THR 229 N -0.94 3.37 -0.93 -0.71 2.01 -0.57 -1.08 115.64 116.79 1tio s THR 229 Ca 0.11 0.91 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 1tio s THR 229 Cb -0.10 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1tio s THR 229 CO 0.04 0.04 1.49 -0.75 -0.69 0.00 0.00 174.62 174.74 1tio s LYS 230 N 1.67 3.35 0.46 4.92 2.20 -0.01 -2.71 119.74 129.63 1tio s LYS 230 Ca 0.66 -0.78 0.15 0.00 -0.36 0.00 0.00 55.97 55.63 1tio s LYS 230 Cb -0.36 -5.05 1.09 0.00 -1.51 0.00 0.00 37.83 32.01 1tio s LYS 230 CO 0.29 -2.35 2.02 0.28 -0.36 0.00 0.00 175.35 175.23 1tio h VAL 231 N 6.70 0.92 -0.02 4.02 2.07 -1.74 -2.69 116.25 125.51 1tio h VAL 231 Ca 0.07 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1tio h VAL 231 Cb 1.02 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1tio h VAL 231 CO 1.37 0.06 0.03 0.00 0.02 0.00 0.00 177.57 179.04 1tio n ASN 233 N -3.69 0.00 -0.22 0.00 3.02 -1.01 -3.66 115.26 109.71 1tio n ASN 233 Ca -0.02 0.21 0.02 0.00 -0.03 0.00 0.00 54.58 54.76 1tio n ASN 233 Cb 0.11 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1tio n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1tio n TYR 234 N -1.40 0.12 -0.34 3.10 4.01 -0.13 -4.77 117.16 117.76 1tio n TYR 234 Ca 0.10 -0.33 0.03 0.00 -0.16 0.00 0.00 57.90 57.53 1tio n TYR 234 Cb 0.28 -0.03 0.17 0.00 -0.31 0.00 0.00 39.34 39.45 1tio n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tio h VAL 235 N 0.79 1.02 -0.29 -0.72 2.07 -1.62 -0.45 116.25 117.05 1tio h VAL 235 Ca 0.00 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1tio h VAL 235 Cb 0.45 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1tio h VAL 235 CO 0.00 0.19 -0.03 0.28 0.02 0.00 0.00 177.57 178.03 1tio h SER 236 N 1.02 0.52 -0.82 0.57 0.02 -1.88 -1.07 113.55 111.91 1tio h SER 236 Ca 0.42 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1tio h SER 236 Cb 0.25 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1tio h SER 236 CO -0.20 0.73 0.40 -0.25 -1.14 0.00 0.00 176.83 176.38 1tio h TRP 237 N 0.30 1.17 0.25 3.45 7.01 -1.80 -0.25 115.95 126.09 1tio h TRP 237 Ca 0.08 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1tio h TRP 237 Cb 0.48 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1tio h TRP 237 CO 0.04 0.84 -0.12 0.82 -2.79 0.00 0.00 178.44 177.24 1tio h ILE 238 N 1.16 0.81 -0.51 2.65 2.04 -0.99 -1.51 117.51 121.16 1tio h ILE 238 Ca 0.28 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1tio h ILE 238 Cb 0.10 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1tio h ILE 238 CO -0.04 0.10 0.28 0.11 0.00 0.00 0.00 178.15 178.60 1tio h LYS 239 N -0.58 0.54 -0.62 2.37 1.57 -1.07 -1.10 116.57 117.68 1tio h LYS 239 Ca -0.03 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1tio h LYS 239 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1tio h LYS 239 CO 0.06 0.36 0.05 -0.56 -0.57 0.00 0.00 179.45 178.78 1tio h GLN 240 N 0.55 1.06 -0.25 3.15 -0.00 -1.04 -1.66 115.11 116.93 1tio h GLN 240 Ca 0.22 -0.31 -0.03 0.00 -0.00 0.00 0.00 58.65 58.52 1tio h GLN 240 Cb 0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1tio h GLN 240 CO -0.13 1.01 0.02 1.15 -0.00 0.00 0.00 178.83 180.89 1tio h THR 241 N 0.97 1.24 -0.67 1.86 2.02 -1.00 -2.54 112.91 114.79 1tio h THR 241 Ca 0.18 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1tio h THR 241 Cb 0.50 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1tio h THR 241 CO 0.02 0.26 0.43 0.40 0.37 0.00 0.00 175.52 177.00 1tio h ILE 242 N 0.22 1.12 0.00 3.11 5.03 -1.10 -2.01 117.51 123.88 1tio h ILE 242 Ca 0.07 -0.29 -0.03 0.00 -0.12 0.00 0.00 64.86 64.49 1tio h ILE 242 Cb 0.37 0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 1tio h ILE 242 CO 0.01 0.15 -0.13 0.00 -0.68 0.00 0.00 178.15 177.50 1tio h ALA 243 N 1.27 1.25 -0.34 1.87 0.00 -1.11 -2.96 119.26 119.25 1tio h ALA 243 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1tio h ALA 243 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1tio h ALA 243 CO -0.09 0.17 0.00 0.43 0.00 0.00 0.00 179.25 179.76 1tio n SER 244 N -3.61 2.93 0.00 0.00 7.64 -0.97 -5.10 113.62 114.50 1tio n SER 244 Ca -0.02 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1tio n SER 244 Cb 0.26 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1tio n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62