#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2by8 s VAL 17 N 0.00 5.42 -0.60 1.39 1.01 0.60 -4.02 120.40 124.20 2by8 s VAL 17 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2by8 s VAL 17 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2by8 s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2by8 n GLY 18 N 3.09 0.78 0.00 4.51 0.00 -1.24 -1.49 105.19 110.83 2by8 n GLY 18 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2by8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by8 n GLY 19 N -2.20 1.76 3.08 -0.02 0.00 -1.26 -4.85 105.19 101.69 2by8 n GLY 19 Ca -0.06 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 2by8 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2by8 s TYR 20 N 2.35 0.46 -0.11 1.61 1.13 0.37 -4.94 117.35 118.21 2by8 s TYR 20 Ca 0.00 -0.96 -0.29 0.00 -1.41 0.00 0.00 57.07 54.40 2by8 s TYR 20 Cb 0.00 -0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 2by8 s TYR 20 CO 0.00 -0.36 1.46 0.99 -2.51 0.00 0.00 175.55 175.13 2by8 s THR 21 N -3.52 3.93 0.13 -3.49 2.01 -1.26 -0.49 115.64 112.95 2by8 s THR 21 Ca 0.03 1.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 2by8 s THR 21 Cb 0.05 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2by8 s THR 21 CO -0.09 -0.10 1.78 0.00 -0.69 0.00 0.00 174.62 175.52 2by8 n GLY 23 N -1.16 2.58 3.69 0.00 0.00 -1.26 -4.84 105.19 104.19 2by8 n GLY 23 Ca -0.02 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2by8 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by8 n ALA 24 N 1.32 1.91 -1.96 4.61 0.00 -1.26 -2.37 120.51 122.76 2by8 n ALA 24 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 2by8 n ALA 24 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 19.45 16.85 2by8 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2by8 n ASN 25 N 5.58 -5.28 -0.08 0.00 3.02 -1.26 -4.86 115.26 112.38 2by8 n ASN 25 Ca 0.19 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 55.07 2by8 n ASN 25 Cb 0.35 -4.37 0.47 0.00 -0.61 0.00 0.00 39.78 35.63 2by8 n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2by8 n THR 26 N -3.28 0.00 -3.58 3.41 -2.24 -1.00 -4.24 114.28 103.35 2by8 n THR 26 Ca -0.20 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 2by8 n THR 26 Cb 0.64 -0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 2by8 n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2by8 n VAL 27 N -1.19 0.79 0.73 2.28 0.31 -1.26 -4.99 118.33 114.99 2by8 n VAL 27 Ca 0.10 -4.48 0.11 0.00 -0.01 0.00 0.00 64.34 60.06 2by8 n VAL 27 Cb 0.32 -2.01 0.46 0.00 -0.91 0.00 0.00 33.84 31.70 2by8 n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2by8 n PRO 28 N 1.86 0.02 0.00 5.55 -0.04 -1.26 -1.71 135.00 139.43 2by8 n PRO 28 Ca 0.25 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 2by8 n PRO 28 Cb 0.42 -1.53 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 2by8 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2by8 n TYR 29 N -1.57 0.00 -2.40 0.54 0.18 -1.13 -2.06 117.16 110.71 2by8 n TYR 29 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 2by8 n TYR 29 Cb 0.26 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 2by8 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2by8 s GLN 30 N -2.83 4.40 0.22 -3.48 2.00 -0.69 -1.04 119.66 118.24 2by8 s GLN 30 Ca 0.14 1.78 0.11 0.00 -2.00 0.00 0.00 55.36 55.39 2by8 s GLN 30 Cb 0.18 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 30.55 2by8 s GLN 30 CO 0.67 -0.32 -0.18 0.14 -0.50 0.00 0.00 175.29 175.11 2by8 s VAL 31 N 1.33 2.67 -0.17 1.34 -7.23 -0.26 -4.47 120.40 113.62 2by8 s VAL 31 Ca 0.59 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2by8 s VAL 31 Cb -0.29 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2by8 s VAL 31 CO 0.28 -0.21 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.30 2by8 s SER 32 N -3.01 4.95 -0.16 4.85 0.15 -0.52 -2.28 113.70 117.68 2by8 s SER 32 Ca 0.25 -0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 2by8 s SER 32 Cb -0.07 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 2by8 s SER 32 CO 0.13 0.15 0.56 -0.76 1.20 0.00 0.00 173.24 174.52 2by8 s LEU 33 N 0.49 4.20 -0.07 3.45 1.43 -0.00 -0.62 118.68 127.56 2by8 s LEU 33 Ca -0.02 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 2by8 s LEU 33 Cb -0.14 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2by8 s LEU 33 CO 0.02 -0.15 -0.18 0.21 0.23 0.00 0.00 176.35 176.49 2by8 s ASN 34 N 0.98 2.32 -0.34 2.29 2.47 -0.21 -1.24 114.94 121.22 2by8 s ASN 34 Ca 0.27 -0.40 0.12 0.00 0.42 0.00 0.00 52.86 53.27 2by8 s ASN 34 Cb -0.16 -0.92 0.46 0.00 -1.45 0.00 0.00 41.25 39.18 2by8 s ASN 34 CO 0.11 0.11 1.09 -1.54 -3.72 0.00 0.00 177.10 173.15 2by8 n SER 37 N 3.49 3.33 0.00 -4.21 3.41 -1.26 -0.78 113.62 117.59 2by8 n SER 37 Ca -0.20 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 2by8 n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2by8 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2by8 n GLY 38 N -0.44 0.30 3.59 5.00 0.00 -1.26 -5.02 105.19 107.36 2by8 n GLY 38 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 2by8 n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2by8 s TYR 39 N -2.00 -0.22 0.22 1.61 -0.85 -1.26 -5.14 117.35 109.72 2by8 s TYR 39 Ca 0.00 0.29 -0.31 0.00 -0.52 0.00 0.00 57.07 56.53 2by8 s TYR 39 Cb 0.00 0.49 -0.11 0.00 0.38 0.00 0.00 41.96 42.72 2by8 s TYR 39 CO 0.00 -0.25 1.59 -1.58 -1.52 0.00 0.00 175.55 173.79 2by8 s HIS 40 N -1.66 2.94 0.00 -3.49 5.65 -1.26 -4.17 115.29 113.29 2by8 s HIS 40 Ca 0.05 0.67 0.00 0.00 0.25 0.00 0.00 55.06 56.03 2by8 s HIS 40 Cb -0.01 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.40 2by8 s HIS 40 CO -0.04 -3.53 0.00 1.97 -0.65 0.00 0.00 174.74 172.50 2by8 n PHE 41 N 3.22 0.00 -3.48 3.88 -1.74 -0.37 -4.96 117.46 114.01 2by8 n PHE 41 Ca 0.12 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.91 2by8 n PHE 41 Cb 0.38 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.36 2by8 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2by8 s GLY 43 N -2.50 1.76 0.16 0.00 0.00 0.44 -0.82 107.32 106.36 2by8 s GLY 43 Ca 0.03 -1.71 -0.23 0.00 0.00 0.00 0.00 44.72 42.80 2by8 s GLY 43 CO -0.10 -1.16 1.04 -0.32 0.00 0.00 0.00 173.10 172.57 2by8 s GLY 44 N -4.72 0.01 -0.06 0.20 0.00 -0.96 -3.76 107.32 98.01 2by8 s GLY 44 Ca 0.66 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2by8 s GLY 44 CO 0.44 1.94 -0.08 -0.56 0.00 0.00 0.00 173.10 174.83 2by8 s SER 45 N -3.31 1.53 -0.13 1.64 0.01 -0.24 -1.10 113.70 112.11 2by8 s SER 45 Ca 0.20 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2by8 s SER 45 Cb -0.02 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 2by8 s SER 45 CO 0.04 -0.03 1.17 -0.22 0.41 0.00 0.00 173.24 174.61 2by8 s LEU 46 N 0.96 4.21 -0.00 2.44 2.96 -0.21 -0.97 118.68 128.06 2by8 s LEU 46 Ca -0.10 1.66 0.08 0.00 -0.22 0.00 0.00 54.13 55.55 2by8 s LEU 46 Cb -0.15 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2by8 s LEU 46 CO 0.00 -0.65 0.34 2.30 -1.32 0.00 0.00 176.35 177.03 2by8 n ILE 47 N 5.00 0.00 -3.65 6.68 -5.35 -0.32 -1.00 119.36 120.71 2by8 n ILE 47 Ca 0.12 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 2by8 n ILE 47 Cb 0.46 0.94 0.02 0.00 -1.74 0.00 0.00 39.64 39.32 2by8 n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2by8 n ASN 48 N -1.25 -1.42 0.26 7.28 0.23 -1.19 -4.62 115.26 114.55 2by8 n ASN 48 Ca 0.01 -1.88 0.18 0.00 -0.53 0.00 0.00 54.58 52.35 2by8 n ASN 48 Cb 0.14 2.35 0.88 0.00 -2.08 0.00 0.00 39.78 41.06 2by8 n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2by8 h SER 49 N 1.39 0.00 0.00 0.53 4.64 -1.96 -3.11 113.55 115.03 2by8 h SER 49 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2by8 h SER 49 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2by8 h SER 49 CO 0.28 0.00 -0.01 1.67 -0.87 0.00 0.00 176.83 177.89 2by8 n GLN 50 N -2.77 1.51 -4.14 4.77 7.27 -1.26 -0.23 117.38 122.53 2by8 n GLN 50 Ca -0.01 -1.06 -0.16 0.00 0.07 0.00 0.00 57.00 55.83 2by8 n GLN 50 Cb 0.12 -0.77 -0.15 0.00 2.41 0.00 0.00 30.24 31.85 2by8 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2by8 s TRP 51 N -0.57 0.45 -0.00 3.69 0.52 -1.18 -0.97 118.94 120.88 2by8 s TRP 51 Ca 0.01 -0.09 0.08 0.00 0.02 0.00 0.00 56.10 56.13 2by8 s TRP 51 Cb 0.01 -0.30 -0.02 0.00 -1.15 0.00 0.00 33.47 32.00 2by8 s TRP 51 CO 0.00 -0.02 -0.26 0.08 0.02 0.00 0.00 176.95 176.78 2by8 s VAL 52 N -0.04 2.11 -0.08 4.03 1.01 0.01 -1.18 120.40 126.27 2by8 s VAL 52 Ca 0.01 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2by8 s VAL 52 Cb -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2by8 s VAL 52 CO -0.00 0.52 -0.14 0.54 0.00 0.00 0.00 175.10 176.01 2by8 s VAL 53 N -0.67 3.02 0.00 2.92 0.11 -0.14 -0.71 120.40 124.93 2by8 s VAL 53 Ca 0.11 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 2by8 s VAL 53 Cb -0.10 -2.21 -0.00 0.00 -1.53 0.00 0.00 36.38 32.54 2by8 s VAL 53 CO 0.00 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10 2by8 n SER 54 N 2.72 -0.01 -4.83 3.54 2.88 -0.63 -1.08 113.62 116.21 2by8 n SER 54 Ca -0.17 -1.02 -0.36 0.00 -1.33 0.00 0.00 58.87 55.99 2by8 n SER 54 Cb 0.52 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 2by8 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2by8 s ALA 55 N -1.90 3.51 0.46 -1.46 0.00 -1.26 -1.12 121.76 119.99 2by8 s ALA 55 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.10 2by8 s ALA 55 Cb 0.00 -2.66 1.03 0.00 0.00 0.00 0.00 23.12 21.49 2by8 s ALA 55 CO 0.00 0.39 2.05 0.00 0.00 0.00 0.00 175.76 178.21 2by8 h ALA 56 N 3.61 1.78 0.00 0.00 0.00 -1.69 -1.53 119.26 121.43 2by8 h ALA 56 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2by8 h ALA 56 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2by8 h ALA 56 CO 0.65 0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.69 2by8 n HIS 57 N -4.43 0.00 1.55 0.00 1.44 -1.26 -1.35 115.22 111.17 2by8 n HIS 57 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 2by8 n HIS 57 Cb 0.15 -0.41 0.58 0.00 0.12 0.00 0.00 29.99 30.43 2by8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2by8 n TYR 59 N -0.18 2.57 -3.59 0.00 9.36 -0.46 -4.99 117.16 119.87 2by8 n TYR 59 Ca 0.19 0.24 -0.10 0.00 3.32 0.00 0.00 57.90 61.55 2by8 n TYR 59 Cb 0.31 -2.58 -0.02 0.00 -0.63 0.00 0.00 39.34 36.42 2by8 n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2by8 s LYS 60 N 0.21 1.44 0.59 2.98 -2.85 -1.26 -5.14 119.74 115.70 2by8 s LYS 60 Ca 0.71 -0.65 -0.09 0.00 -1.00 0.00 0.00 55.97 54.93 2by8 s LYS 60 Cb -0.57 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 2by8 s LYS 60 CO 0.43 -0.64 0.96 -1.54 0.10 0.00 0.00 175.35 174.66 2by8 s SER 61 N -2.80 6.16 -0.45 0.03 1.04 -1.26 -4.48 113.70 111.94 2by8 s SER 61 Ca 0.05 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.69 2by8 s SER 61 Cb -0.03 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2by8 s SER 61 CO -0.05 -0.83 0.31 0.61 0.98 0.00 0.00 173.24 174.26 2by8 n GLY 62 N -2.63 0.42 3.74 7.32 0.00 -1.26 -5.00 105.19 107.78 2by8 n GLY 62 Ca 0.05 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2by8 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2by8 s ILE 63 N -2.97 4.70 -0.17 -0.61 1.01 -1.26 -4.59 121.20 117.31 2by8 s ILE 63 Ca 0.15 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 2by8 s ILE 63 Cb -0.07 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 2by8 s ILE 63 CO 0.19 0.35 -0.02 -1.58 0.00 0.00 0.00 174.94 173.88 2by8 s GLN 64 N -0.03 3.67 -0.09 2.79 0.74 0.04 -1.14 119.66 125.64 2by8 s GLN 64 Ca 0.40 -0.51 -0.19 0.00 0.05 0.00 0.00 55.36 55.10 2by8 s GLN 64 Cb -0.21 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 2by8 s GLN 64 CO 0.24 0.18 0.53 0.08 -0.55 0.00 0.00 175.29 175.77 2by8 s VAL 65 N 0.54 5.13 -0.28 1.34 1.01 0.22 -1.04 120.40 127.32 2by8 s VAL 65 Ca -0.02 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2by8 s VAL 65 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.42 2by8 s VAL 65 CO 0.02 0.33 -0.05 -0.13 0.00 0.00 0.00 175.10 175.28 2by8 s ARG 66 N 0.51 2.46 0.27 2.72 0.52 0.21 -0.95 118.95 124.69 2by8 s ARG 66 Ca 0.28 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 54.31 2by8 s ARG 66 Cb -0.16 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 2by8 s ARG 66 CO 0.12 -0.56 0.40 -0.51 0.02 0.00 0.00 175.30 174.78 2by8 s LEU 67 N 1.22 4.21 -1.11 2.53 2.01 0.40 -1.44 118.68 126.50 2by8 s LEU 67 Ca -0.05 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.13 2by8 s LEU 67 Cb -0.19 -2.87 0.00 0.00 0.01 0.00 0.00 46.19 43.14 2by8 s LEU 67 CO -0.03 -0.18 0.00 0.61 1.01 0.00 0.00 176.35 177.76 2by8 n GLY 69 N -1.50 1.17 3.80 -3.19 0.00 -1.26 -0.37 105.19 103.84 2by8 n GLY 69 Ca -0.07 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2by8 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by8 s GLU 70 N -2.79 4.35 0.00 1.61 0.41 -1.26 -3.77 118.70 117.25 2by8 s GLU 70 Ca 0.00 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.50 2by8 s GLU 70 Cb 0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2by8 s GLU 70 CO 0.00 0.51 0.00 -3.47 -0.49 0.00 0.00 175.26 171.81 2by8 n ASP 71 N 1.24 0.00 -4.62 -0.19 2.03 -1.26 -4.56 116.55 109.19 2by8 n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 2by8 n ASP 71 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 2by8 n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2by8 s ASN 72 N 0.87 6.61 0.00 1.67 3.84 -1.26 -3.55 114.94 123.13 2by8 s ASN 72 Ca 0.00 0.93 0.24 0.00 0.21 0.00 0.00 52.86 54.24 2by8 s ASN 72 Cb 0.00 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.46 2by8 s ASN 72 CO 0.00 -1.18 1.79 2.30 -2.79 0.00 0.00 177.10 177.21 2by8 n ILE 73 N 6.53 0.15 0.40 -5.21 -5.35 -0.36 -2.94 119.36 112.57 2by8 n ILE 73 Ca 0.14 0.04 0.06 0.00 -0.27 0.00 0.00 62.75 62.72 2by8 n ILE 73 Cb 0.48 -0.65 0.07 0.00 -1.74 0.00 0.00 39.64 37.79 2by8 n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2by8 n ASN 74 N -1.15 2.13 -3.90 7.28 3.02 -1.26 -4.97 115.26 116.41 2by8 n ASN 74 Ca 0.14 -1.57 -0.17 0.00 -0.03 0.00 0.00 54.58 52.96 2by8 n ASN 74 Cb 0.14 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 2by8 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2by8 s VAL 75 N -1.00 0.37 -0.33 2.41 1.01 -1.15 -5.11 120.40 116.61 2by8 s VAL 75 Ca 0.15 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2by8 s VAL 75 Cb 0.10 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2by8 s VAL 75 CO 0.15 0.15 0.93 -0.69 0.00 0.00 0.00 175.10 175.64 2by8 s VAL 76 N 0.45 4.63 -0.42 2.92 1.01 -1.26 -4.69 120.40 123.04 2by8 s VAL 76 Ca -0.05 1.41 0.11 0.00 0.00 0.00 0.00 61.98 63.45 2by8 s VAL 76 Cb -0.08 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 2by8 s VAL 76 CO -0.00 -0.41 0.43 -0.62 0.00 0.00 0.00 175.10 174.50 2by8 n GLU 77 N 6.60 2.76 0.00 2.72 1.02 -1.26 -5.03 120.64 127.45 2by8 n GLU 77 Ca 0.08 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2by8 n GLU 77 Cb 0.48 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2by8 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2by8 n GLY 78 N 1.38 1.27 0.19 0.62 0.00 -1.26 -4.98 105.19 102.41 2by8 n GLY 78 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2by8 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2by8 n ASN 79 N 0.00 2.16 -4.78 1.61 3.02 -1.26 -5.05 115.26 110.95 2by8 n ASN 79 Ca 0.00 -1.89 -0.36 0.00 -0.03 0.00 0.00 54.58 52.31 2by8 n ASN 79 Cb 0.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 2by8 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2by8 s GLU 80 N -0.91 3.70 -0.11 3.52 8.01 -1.25 -4.28 118.70 127.39 2by8 s GLU 80 Ca 0.07 1.59 0.00 0.00 0.01 0.00 0.00 54.97 56.64 2by8 s GLU 80 Cb 0.04 -2.22 0.02 0.00 -4.31 0.00 0.00 34.13 27.66 2by8 s GLU 80 CO 0.05 -0.56 -0.10 -0.65 0.01 0.00 0.00 175.26 174.01 2by8 s GLN 81 N -2.98 1.72 -0.26 1.61 -0.21 0.50 -4.96 119.66 115.07 2by8 s GLN 81 Ca 0.67 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 55.61 2by8 s GLN 81 Cb -0.23 -1.63 -0.02 0.00 1.00 0.00 0.00 33.01 32.12 2by8 s GLN 81 CO 0.28 -0.18 0.08 -0.06 -2.12 0.00 0.00 175.29 173.29 2by8 s PHE 82 N 1.37 3.10 -0.07 0.91 0.08 -1.26 -0.46 117.98 121.66 2by8 s PHE 82 Ca -0.01 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 2by8 s PHE 82 Cb -0.14 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2by8 s PHE 82 CO -0.05 -0.41 -0.02 0.42 -0.10 0.00 0.00 175.22 175.06 2by8 s ILE 83 N 1.60 0.47 0.51 0.64 1.01 -0.13 -4.98 121.20 120.32 2by8 s ILE 83 Ca 0.06 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 2by8 s ILE 83 Cb -0.16 -0.58 -0.06 0.00 0.01 0.00 0.00 42.46 41.67 2by8 s ILE 83 CO 0.04 0.26 1.24 -0.44 0.00 0.00 0.00 174.94 176.04 2by8 s SER 84 N 1.66 5.72 0.29 3.58 0.01 -1.26 -0.61 113.70 123.08 2by8 s SER 84 Ca 0.01 2.48 -0.29 0.00 1.31 0.00 0.00 55.95 59.46 2by8 s SER 84 Cb -0.13 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.39 2by8 s SER 84 CO -0.04 -1.24 1.10 0.00 0.41 0.00 0.00 173.24 173.47 2by8 s ALA 85 N -1.47 3.39 -0.11 1.44 0.00 -0.29 -0.87 121.76 123.85 2by8 s ALA 85 Ca 0.68 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.70 2by8 s ALA 85 Cb -0.33 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.24 2by8 s ALA 85 CO 0.39 -0.17 0.51 -1.13 0.00 0.00 0.00 175.76 175.35 2by8 n SER 86 N 1.11 0.55 -3.57 0.00 3.41 0.36 -4.74 113.62 110.73 2by8 n SER 86 Ca -0.01 0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.72 2by8 n SER 86 Cb 0.45 0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 2by8 n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2by8 s LYS 87 N -2.70 0.78 0.19 4.33 -2.85 -1.23 -5.01 119.74 113.25 2by8 s LYS 87 Ca -0.06 0.37 0.08 0.00 -1.00 0.00 0.00 55.97 55.36 2by8 s LYS 87 Cb 0.08 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2by8 s LYS 87 CO 0.83 -0.21 -0.17 -1.54 0.10 0.00 0.00 175.35 174.36 2by8 s SER 88 N -0.74 2.70 -0.24 0.03 1.04 -1.26 -0.28 113.70 114.95 2by8 s SER 88 Ca -0.04 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 2by8 s SER 88 Cb -0.02 -0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.03 2by8 s SER 88 CO 0.03 -0.08 0.14 -0.63 0.98 0.00 0.00 173.24 173.69 2by8 s ILE 89 N -2.42 -0.13 0.34 -1.02 1.01 0.67 -4.99 121.20 114.65 2by8 s ILE 89 Ca 0.19 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2by8 s ILE 89 Cb -0.04 -0.81 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 2by8 s ILE 89 CO 0.07 -0.50 1.06 -0.69 0.00 0.00 0.00 174.94 174.88 2by8 s VAL 90 N 2.16 3.65 0.29 2.92 1.01 -1.26 -0.84 120.40 128.32 2by8 s VAL 90 Ca 0.06 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 2by8 s VAL 90 Cb -0.16 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2by8 s VAL 90 CO -0.25 0.19 1.08 1.57 0.00 0.00 0.00 175.10 177.69 2by8 n HIS 91 N 0.56 1.49 0.14 5.22 -0.00 -0.55 -4.83 115.22 117.24 2by8 n HIS 91 Ca 0.02 0.67 0.14 0.00 0.46 0.00 0.00 57.72 59.01 2by8 n HIS 91 Cb 0.47 -2.29 0.68 0.00 -0.12 0.00 0.00 29.99 28.74 2by8 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2by8 h PRO 92 N 2.24 0.00 -0.37 1.57 0.13 -1.93 -2.08 132.00 131.57 2by8 h PRO 92 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2by8 h PRO 92 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2by8 h PRO 92 CO 0.62 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.82 2by8 n SER 93 N -4.39 3.78 -4.69 1.44 7.64 -1.26 -5.01 113.62 111.13 2by8 n SER 93 Ca 0.03 -2.57 -0.44 0.00 1.01 0.00 0.00 58.87 56.90 2by8 n SER 93 Cb 0.34 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2by8 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2by8 n TYR 94 N 0.17 2.45 -4.05 1.43 9.36 -0.78 -4.66 117.16 121.08 2by8 n TYR 94 Ca 0.19 0.27 -0.33 0.00 3.32 0.00 0.00 57.90 61.35 2by8 n TYR 94 Cb 0.74 -2.56 -0.15 0.00 -0.63 0.00 0.00 39.34 36.75 2by8 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2by8 s ASN 95 N 0.71 4.09 0.25 2.98 3.84 -0.66 -5.01 114.94 121.14 2by8 s ASN 95 Ca 0.72 -1.07 0.25 0.00 0.21 0.00 0.00 52.86 52.98 2by8 s ASN 95 Cb -0.60 -1.57 0.90 0.00 -0.55 0.00 0.00 41.25 39.43 2by8 s ASN 95 CO 0.42 -0.13 1.75 -1.54 -2.79 0.00 0.00 177.10 174.81 2by8 n SER 96 N 4.55 0.78 0.00 -4.21 3.41 -1.26 -0.08 113.62 116.81 2by8 n SER 96 Ca -0.16 0.63 -0.17 0.00 -0.26 0.00 0.00 58.87 58.90 2by8 n SER 96 Cb 0.45 -0.82 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 2by8 n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2by8 h ASN 97 N 0.00 0.43 0.39 4.04 2.35 -1.97 -3.36 115.58 117.45 2by8 h ASN 97 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 2by8 h ASN 97 Cb 0.56 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2by8 h ASN 97 CO 0.00 1.18 -1.12 0.35 -1.65 0.00 0.00 177.43 176.19 2by8 n THR 98 N -4.29 0.16 -1.48 2.81 -2.24 -1.18 -4.96 114.28 103.10 2by8 n THR 98 Ca -0.11 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.24 2by8 n THR 98 Cb 0.65 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 2by8 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2by8 n LEU 99 N -1.99 -1.15 -4.75 3.22 4.77 0.88 -4.99 117.00 112.99 2by8 n LEU 99 Ca 0.01 0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 2by8 n LEU 99 Cb 0.45 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.02 2by8 n LEU 99 CO 0.41 -0.92 1.01 0.21 -1.33 0.00 0.00 177.39 176.76 2by8 s ASN 100 N -2.76 6.82 -0.87 -1.43 2.47 -1.20 -2.98 114.94 114.98 2by8 s ASN 100 Ca 0.00 2.54 -0.02 0.00 0.42 0.00 0.00 52.86 55.79 2by8 s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2by8 s ASN 100 CO 0.00 -0.56 0.74 0.59 -3.72 0.00 0.00 177.10 174.15 2by8 n ASN 101 N 2.07 -3.06 -4.14 -4.21 3.02 -1.26 -1.66 115.26 106.02 2by8 n ASN 101 Ca 0.05 -0.41 -0.43 0.00 -0.03 0.00 0.00 54.58 53.76 2by8 n ASN 101 Cb 0.42 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 2by8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2by8 n ASP 102 N -2.20 4.69 -3.76 6.41 2.03 -1.16 -4.24 116.55 118.33 2by8 n ASP 102 Ca -0.13 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 2by8 n ASP 102 Cb 0.59 -1.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 2by8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2by8 s ILE 103 N 2.57 0.01 0.10 5.18 2.07 -1.26 -3.84 121.20 126.03 2by8 s ILE 103 Ca 0.47 -0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.61 2by8 s ILE 103 Cb 0.07 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 2by8 s ILE 103 CO -0.00 -0.03 0.08 0.00 -1.91 0.00 0.00 174.94 173.08 2by8 s MET 104 N -0.02 0.85 0.01 3.50 0.23 -0.28 -1.48 119.30 122.11 2by8 s MET 104 Ca -0.02 -1.26 0.07 0.00 -1.03 0.00 0.00 55.69 53.46 2by8 s MET 104 Cb -0.03 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2by8 s MET 104 CO 0.01 -0.24 -0.22 -0.51 -2.03 0.00 0.00 175.02 172.04 2by8 s LEU 105 N -2.97 2.38 -0.10 0.18 1.43 -0.02 -1.61 118.68 117.97 2by8 s LEU 105 Ca 0.15 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2by8 s LEU 105 Cb 0.07 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2by8 s LEU 105 CO -0.04 0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 2by8 s ILE 106 N -0.78 1.40 -0.14 -0.59 1.01 0.12 -0.24 121.20 121.98 2by8 s ILE 106 Ca 0.12 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2by8 s ILE 106 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2by8 s ILE 106 CO 0.02 0.42 0.25 -0.75 0.00 0.00 0.00 174.94 174.88 2by8 s LYS 107 N 0.94 4.05 0.27 2.79 2.20 0.61 -0.81 119.74 129.78 2by8 s LYS 107 Ca -0.08 0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 2by8 s LYS 107 Cb -0.15 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 2by8 s LYS 107 CO -0.00 0.41 0.95 -0.51 -0.36 0.00 0.00 175.35 175.84 2by8 s LEU 108 N -0.04 4.55 0.46 5.43 1.43 -0.14 -0.49 118.68 129.87 2by8 s LEU 108 Ca 0.16 1.94 0.15 0.00 -1.03 0.00 0.00 54.13 55.34 2by8 s LEU 108 Cb -0.13 -3.74 1.04 0.00 0.03 0.00 0.00 46.19 43.39 2by8 s LEU 108 CO 0.04 0.07 2.01 0.11 0.23 0.00 0.00 176.35 178.81 2by8 h LYS 109 N 3.82 0.00 -4.55 1.70 1.57 -1.30 -3.43 116.57 114.39 2by8 h LYS 109 Ca -0.46 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.10 2by8 h LYS 109 Cb 1.20 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 2by8 h LYS 109 CO 0.67 0.16 -0.70 -1.54 -0.57 0.00 0.00 179.45 177.46 2by8 s SER 110 N -7.01 0.94 0.20 0.86 1.04 -1.26 -5.01 113.70 103.46 2by8 s SER 110 Ca -0.04 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 2by8 s SER 110 Cb 0.16 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.29 2by8 s SER 110 CO 0.69 -0.41 1.23 0.00 0.98 0.00 0.00 173.24 175.73 2by8 s ALA 111 N -3.00 3.46 0.56 5.32 0.00 -1.26 -4.83 121.76 122.01 2by8 s ALA 111 Ca 0.04 1.00 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2by8 s ALA 111 Cb 0.01 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2by8 s ALA 111 CO -0.04 -0.42 1.22 0.00 0.00 0.00 0.00 175.76 176.53 2by8 s ALA 112 N -0.09 2.66 -0.40 0.00 0.00 0.68 -4.99 121.76 119.62 2by8 s ALA 112 Ca 0.53 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 2by8 s ALA 112 Cb -0.34 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.34 2by8 s ALA 112 CO 0.38 -1.10 0.74 -1.12 0.00 0.00 0.00 175.76 174.67 2by8 s SER 113 N -1.46 6.45 -0.06 0.00 0.01 -1.26 -4.85 113.70 112.54 2by8 s SER 113 Ca 0.74 0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.92 2by8 s SER 113 Cb -0.31 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2by8 s SER 113 CO 0.35 -0.79 0.40 -0.76 0.41 0.00 0.00 173.24 172.86 2by8 s LEU 114 N 3.08 4.39 0.00 2.44 1.43 -1.26 -4.80 118.68 123.96 2by8 s LEU 114 Ca 0.29 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2by8 s LEU 114 Cb -0.13 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.56 2by8 s LEU 114 CO 0.19 0.21 0.41 -0.46 0.23 0.00 0.00 176.35 176.93 2by8 n ASN 115 N 2.55 -0.98 -0.32 2.29 0.23 -0.77 -5.03 115.26 113.22 2by8 n ASN 115 Ca -0.12 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 2by8 n ASN 115 Cb 0.52 1.62 0.17 0.00 -2.08 0.00 0.00 39.78 40.02 2by8 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2by8 h SER 116 N 0.92 1.03 1.38 0.53 4.64 -2.00 -3.06 113.55 116.98 2by8 h SER 116 Ca -0.15 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 2by8 h SER 116 Cb 0.57 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2by8 h SER 116 CO 0.19 0.72 -0.64 0.03 -0.87 0.00 0.00 176.83 176.27 2by8 h ARG 117 N 1.20 0.00 -4.14 4.77 3.08 -1.93 -3.42 114.38 113.93 2by8 h ARG 117 Ca 0.35 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.84 2by8 h ARG 117 Cb -0.06 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.61 2by8 h ARG 117 CO -0.09 0.11 -0.79 0.08 -1.07 0.00 0.00 179.97 178.21 2by8 s VAL 118 N -3.19 1.12 -0.03 2.04 1.01 -1.16 -4.50 120.40 115.70 2by8 s VAL 118 Ca 0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2by8 s VAL 118 Cb 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2by8 s VAL 118 CO 0.74 0.07 0.35 0.00 0.00 0.00 0.00 175.10 176.27 2by8 s ALA 119 N 1.62 -0.89 0.66 5.51 0.00 -0.88 -1.86 121.76 125.92 2by8 s ALA 119 Ca -0.00 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 2by8 s ALA 119 Cb -0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2by8 s ALA 119 CO -0.07 -0.26 1.05 -1.54 0.00 0.00 0.00 175.76 174.93 2by8 s SER 120 N -1.16 5.69 -0.08 0.00 1.04 -1.26 -2.84 113.70 115.09 2by8 s SER 120 Ca -0.12 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2by8 s SER 120 Cb -0.04 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2by8 s SER 120 CO 0.04 -1.23 -0.06 -0.51 0.98 0.00 0.00 173.24 172.46 2by8 s ILE 121 N -3.00 3.73 0.40 -1.02 1.10 -0.17 -4.86 121.20 117.38 2by8 s ILE 121 Ca 0.58 -0.46 -0.26 0.00 -0.51 0.00 0.00 60.65 60.00 2by8 s ILE 121 Cb -0.13 -2.54 -0.09 0.00 0.15 0.00 0.00 42.46 39.85 2by8 s ILE 121 CO 0.52 0.58 1.30 -0.44 -2.11 0.00 0.00 174.94 174.79 2by8 s SER 122 N -0.63 6.32 0.54 4.50 0.01 -1.26 -4.58 113.70 118.61 2by8 s SER 122 Ca 0.10 2.64 -0.17 0.00 1.31 0.00 0.00 55.95 59.83 2by8 s SER 122 Cb -0.12 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 2by8 s SER 122 CO 0.02 -0.84 1.02 -0.76 0.41 0.00 0.00 173.24 173.08 2by8 s LEU 123 N -2.42 3.59 0.52 2.44 1.43 -1.26 -0.89 118.68 122.09 2by8 s LEU 123 Ca 0.57 1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.16 2by8 s LEU 123 Cb -0.38 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.25 2by8 s LEU 123 CO 0.49 -0.83 1.08 -2.16 0.23 0.00 0.00 176.35 175.16 2by8 s PRO 124 N -4.00 3.56 -0.02 1.29 0.04 -1.26 -4.77 135.00 129.83 2by8 s PRO 124 Ca 0.61 1.47 0.20 0.00 0.04 0.00 0.00 61.00 63.32 2by8 s PRO 124 Cb -0.13 -2.05 -0.30 0.00 0.04 0.00 0.00 34.50 32.06 2by8 s PRO 124 CO 0.32 -0.65 0.51 0.25 0.04 0.00 0.00 177.00 177.47 2by8 n THR 125 N -1.20 0.00 -4.02 1.26 -2.24 -1.26 -4.96 114.28 101.86 2by8 n THR 125 Ca 0.10 -0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 2by8 n THR 125 Cb 0.52 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 2by8 n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2by8 s SER 127 N -4.12 0.33 0.54 3.42 1.04 -1.26 -5.15 113.70 108.49 2by8 s SER 127 Ca -0.05 -0.69 -0.19 0.00 0.48 0.00 0.00 55.95 55.50 2by8 s SER 127 Cb 0.13 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.34 2by8 s SER 127 CO 0.84 -0.43 1.09 0.00 0.98 0.00 0.00 173.24 175.71 2by8 s ALA 129 N -1.98 3.30 0.17 0.00 0.00 -1.26 -5.09 121.76 116.90 2by8 s ALA 129 Ca 0.69 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2by8 s ALA 129 Cb -0.20 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2by8 s ALA 129 CO 0.27 -0.17 0.21 -1.12 0.00 0.00 0.00 175.76 174.95 2by8 s SER 130 N -3.44 5.88 0.33 0.00 0.01 -1.26 -5.06 113.70 110.17 2by8 s SER 130 Ca 0.52 -0.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.49 2by8 s SER 130 Cb -0.10 -1.64 -0.13 0.00 0.21 0.00 0.00 66.02 64.36 2by8 s SER 130 CO 0.36 0.05 1.21 0.00 0.41 0.00 0.00 173.24 175.27 2by8 n ALA 132 N -0.52 0.87 0.00 1.44 0.00 -1.26 -1.60 120.51 119.44 2by8 n ALA 132 Ca -0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2by8 n ALA 132 Cb 0.55 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2by8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by8 n GLY 133 N 0.89 2.96 3.71 0.00 0.00 0.31 -4.97 105.19 108.10 2by8 n GLY 133 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2by8 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by8 s THR 134 N -2.62 2.81 0.02 2.61 2.01 -0.63 -4.68 115.64 115.16 2by8 s THR 134 Ca 0.00 0.55 -0.27 0.00 0.31 0.00 0.00 61.69 62.28 2by8 s THR 134 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2by8 s THR 134 CO 0.00 0.04 0.85 -1.58 -0.69 0.00 0.00 174.62 173.24 2by8 s GLN 135 N 1.33 4.54 0.29 4.92 2.00 -1.26 -1.26 119.66 130.23 2by8 s GLN 135 Ca 0.69 1.20 0.06 0.00 -2.00 0.00 0.00 55.36 55.32 2by8 s GLN 135 Cb -0.42 -3.41 -0.06 0.00 0.80 0.00 0.00 33.01 29.92 2by8 s GLN 135 CO 0.31 0.13 -0.05 0.00 -0.50 0.00 0.00 175.29 175.19 2by8 s LEU 137 N -3.47 2.82 -0.07 0.00 2.96 0.91 -1.29 118.68 120.55 2by8 s LEU 137 Ca 0.31 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2by8 s LEU 137 Cb 0.04 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2by8 s LEU 137 CO 0.13 0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 2by8 s ILE 138 N 1.20 3.07 0.05 6.68 1.01 0.14 -1.31 121.20 132.04 2by8 s ILE 138 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 2by8 s ILE 138 Cb -0.14 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2by8 s ILE 138 CO -0.02 0.57 0.08 -0.94 0.00 0.00 0.00 174.94 174.63 2by8 s SER 139 N -0.42 0.23 0.00 3.58 1.04 -1.20 -0.65 113.70 116.29 2by8 s SER 139 Ca 0.05 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2by8 s SER 139 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2by8 s SER 139 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2by8 n GLY 140 N 0.56 -0.31 1.39 7.32 0.00 -0.49 -4.33 105.19 109.32 2by8 n GLY 140 Ca -0.18 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.72 2by8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2by8 n TRP 141 N -0.66 1.55 -1.72 1.61 8.01 -1.26 -1.82 117.44 123.15 2by8 n TRP 141 Ca 0.00 -1.01 -0.25 0.00 -1.31 0.00 0.00 57.50 54.93 2by8 n TRP 141 Cb 0.00 -0.47 0.18 0.00 -2.01 0.00 0.00 31.31 29.01 2by8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2by8 n GLY 142 N -0.28 -1.57 3.71 6.99 0.00 -1.24 -4.39 105.19 108.40 2by8 n GLY 142 Ca 0.29 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2by8 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2by8 n ASN 143 N -3.82 2.84 -0.90 1.61 5.15 0.29 -2.92 115.26 117.51 2by8 n ASN 143 Ca 0.14 1.18 0.09 0.00 -0.60 0.00 0.00 54.58 55.40 2by8 n ASN 143 Cb 0.50 -1.51 0.16 0.00 -0.53 0.00 0.00 39.78 38.41 2by8 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2by8 n THR 144 N 0.21 0.48 -5.18 -0.44 -2.24 -0.31 -0.97 114.28 105.83 2by8 n THR 144 Ca 0.05 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 2by8 n THR 144 Cb 0.37 0.96 -0.15 0.00 -2.10 0.00 0.00 70.33 69.41 2by8 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2by8 s LYS 145 N -1.28 2.06 0.27 -0.78 1.02 -1.26 -4.41 119.74 115.36 2by8 s LYS 145 Ca 0.30 -0.96 0.20 0.00 0.02 0.00 0.00 55.97 55.52 2by8 s LYS 145 Cb 0.18 -2.05 0.09 0.00 -0.52 0.00 0.00 37.83 35.53 2by8 s LYS 145 CO 0.25 0.55 1.28 0.66 -0.92 0.00 0.00 175.35 177.17 2by8 h SER 146 N 5.29 0.00 -3.22 2.83 4.64 -1.93 -3.43 113.55 117.74 2by8 h SER 146 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 2by8 h SER 146 Cb 1.13 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.86 2by8 h SER 146 CO 0.46 0.24 -0.81 -0.44 -0.87 0.00 0.00 176.83 175.41 2by8 s SER 147 N -5.98 2.23 0.00 4.97 0.01 -1.26 -4.66 113.70 109.01 2by8 s SER 147 Ca 0.03 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2by8 s SER 147 Cb 0.07 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2by8 s SER 147 CO 0.75 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2by8 n GLY 148 N 4.63 -1.81 3.02 3.44 0.00 -1.26 -4.97 105.19 108.23 2by8 n GLY 148 Ca -0.16 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2by8 n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by8 s THR 149 N 0.00 -0.10 -0.19 2.61 2.01 -1.26 -4.61 115.64 114.10 2by8 s THR 149 Ca 0.00 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 2by8 s THR 149 Cb 0.00 -0.36 0.08 0.00 0.01 0.00 0.00 72.50 72.23 2by8 s THR 149 CO 0.00 0.07 0.41 -0.55 -0.69 0.00 0.00 174.62 173.87 2by8 s SER 150 N 1.44 -0.28 -0.20 3.53 0.15 -1.26 -4.99 113.70 112.08 2by8 s SER 150 Ca -0.07 0.97 -0.07 0.00 0.70 0.00 0.00 55.95 57.47 2by8 s SER 150 Cb -0.11 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 2by8 s SER 150 CO -0.08 -0.23 0.06 -0.31 1.20 0.00 0.00 173.24 173.88 2by8 s TYR 151 N 2.41 3.17 -0.65 3.44 1.51 -1.26 -1.17 117.35 124.81 2by8 s TYR 151 Ca -0.03 -0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.01 2by8 s TYR 151 Cb -0.11 -2.12 0.48 0.00 -0.11 0.00 0.00 41.96 40.09 2by8 s TYR 151 CO -0.13 -0.03 1.24 -0.35 -1.11 0.00 0.00 175.55 175.18 2by8 n PRO 152 N 3.99 3.23 0.00 -1.71 -0.04 -1.26 -5.00 135.00 134.21 2by8 n PRO 152 Ca -0.16 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 2by8 n PRO 152 Cb 0.52 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2by8 n PRO 152 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2by8 n ASP 153 N 0.40 0.00 -4.92 3.54 8.00 -1.26 -4.87 116.55 117.44 2by8 n ASP 153 Ca 0.16 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 2by8 n ASP 153 Cb 0.78 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 2by8 n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2by8 s VAL 154 N 0.00 5.08 0.24 2.53 -7.23 -1.26 -1.23 120.40 118.53 2by8 s VAL 154 Ca 0.00 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 2by8 s VAL 154 Cb 0.00 -3.68 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 2by8 s VAL 154 CO 0.00 -0.22 1.35 -0.22 -0.31 0.00 0.00 175.10 175.70 2by8 s LEU 155 N -3.58 4.41 0.15 1.32 2.96 -1.23 -4.82 118.68 117.89 2by8 s LEU 155 Ca 0.34 2.54 0.06 0.00 -0.22 0.00 0.00 54.13 56.84 2by8 s LEU 155 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2by8 s LEU 155 CO 0.28 -0.58 0.03 -0.54 -1.32 0.00 0.00 176.35 174.22 2by8 s LYS 156 N -0.53 2.57 0.07 1.98 -0.14 -0.76 -2.11 119.74 120.81 2by8 s LYS 156 Ca 0.56 -0.98 0.03 0.00 -1.36 0.00 0.00 55.97 54.22 2by8 s LYS 156 Cb -0.39 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 2by8 s LYS 156 CO 0.43 0.48 -0.10 0.00 -0.76 0.00 0.00 175.35 175.40 2by8 s LEU 158 N -1.89 0.42 -0.13 0.00 2.96 0.18 -0.48 118.68 119.74 2by8 s LEU 158 Ca -0.03 0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 54.12 2by8 s LEU 158 Cb -0.08 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 2by8 s LEU 158 CO 0.01 -0.17 0.51 -0.54 -1.32 0.00 0.00 176.35 174.84 2by8 s LYS 159 N 1.42 4.31 -0.05 1.98 1.02 -1.26 -0.68 119.74 126.48 2by8 s LYS 159 Ca -0.07 0.49 -0.19 0.00 0.02 0.00 0.00 55.97 56.22 2by8 s LYS 159 Cb -0.11 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2by8 s LYS 159 CO -0.07 0.07 0.43 0.00 -0.92 0.00 0.00 175.35 174.86 2by8 s ALA 160 N 0.90 -1.10 0.23 5.17 0.00 -0.41 -4.96 121.76 121.59 2by8 s ALA 160 Ca 0.27 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2by8 s ALA 160 Cb -0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2by8 s ALA 160 CO 0.11 -0.28 0.58 -1.25 0.00 0.00 0.00 175.76 174.92 2by8 s PRO 161 N -1.01 3.87 0.27 0.00 0.04 -1.26 -0.57 135.00 136.35 2by8 s PRO 161 Ca -0.10 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 2by8 s PRO 161 Cb -0.04 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.74 2by8 s PRO 161 CO 0.05 0.32 1.36 0.42 0.04 0.00 0.00 177.00 179.19 2by8 s ILE 162 N -1.78 2.79 0.22 0.56 1.01 -0.39 -1.39 121.20 122.22 2by8 s ILE 162 Ca 0.47 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.84 2by8 s ILE 162 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2by8 s ILE 162 CO 0.20 0.13 0.38 -0.76 0.00 0.00 0.00 174.94 174.90 2by8 s LEU 163 N -0.87 4.24 0.63 2.97 1.43 0.09 -0.53 118.68 126.65 2by8 s LEU 163 Ca 0.55 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.74 2by8 s LEU 163 Cb -0.40 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2by8 s LEU 163 CO 0.46 -0.06 1.29 -1.54 0.23 0.00 0.00 176.35 176.73 2by8 n SER 164 N -0.98 2.14 -0.28 2.29 3.41 -1.26 -4.58 113.62 114.36 2by8 n SER 164 Ca -0.06 0.86 0.03 0.00 -0.26 0.00 0.00 58.87 59.43 2by8 n SER 164 Cb 0.55 -1.55 0.16 0.00 -0.26 0.00 0.00 64.21 63.11 2by8 n SER 164 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2by8 h ASP 165 N 0.70 0.60 -0.67 4.04 3.58 -1.97 -0.76 116.42 121.94 2by8 h ASP 165 Ca -0.51 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2by8 h ASP 165 Cb 1.33 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 2by8 h ASP 165 CO 0.54 0.34 0.30 0.77 -2.88 0.00 0.00 179.24 178.30 2by8 h SER 166 N 0.72 0.90 -0.04 2.28 4.64 -1.99 -0.68 113.55 119.38 2by8 h SER 166 Ca 0.39 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 2by8 h SER 166 Cb 0.39 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2by8 h SER 166 CO -0.26 0.80 -0.33 0.77 -0.87 0.00 0.00 176.83 176.93 2by8 h SER 167 N 0.94 0.53 -0.17 4.97 4.64 -1.79 -0.80 113.55 121.86 2by8 h SER 167 Ca 0.23 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2by8 h SER 167 Cb 0.16 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2by8 h SER 167 CO -0.02 0.83 0.05 0.00 -0.87 0.00 0.00 176.83 176.82 2by8 h LYS 169 N 0.09 0.57 -0.38 0.00 1.57 -1.07 -1.87 116.57 115.49 2by8 h LYS 169 Ca 0.05 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2by8 h LYS 169 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2by8 h LYS 169 CO -0.00 0.65 -0.10 0.77 -0.57 0.00 0.00 179.45 180.20 2by8 h SER 170 N 0.53 0.63 -0.07 0.86 0.02 -1.00 -2.47 113.55 112.05 2by8 h SER 170 Ca 0.10 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 2by8 h SER 170 Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2by8 h SER 170 CO 0.02 0.77 -0.33 0.00 -1.14 0.00 0.00 176.83 176.15 2by8 h ALA 171 N 1.30 0.95 -2.08 3.77 0.00 -0.77 -3.37 119.26 119.07 2by8 h ALA 171 Ca 0.11 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 54.05 2by8 h ALA 171 Cb 0.52 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.79 2by8 h ALA 171 CO 0.03 0.61 -0.90 0.66 0.00 0.00 0.00 179.25 179.65 2by8 n TYR 172 N -4.07 1.30 -1.65 0.00 4.01 -0.75 -4.90 117.16 111.10 2by8 n TYR 172 Ca -0.01 -3.81 -0.46 0.00 -0.16 0.00 0.00 57.90 53.46 2by8 n TYR 172 Cb 0.46 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 2by8 n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2by8 n PRO 173 N 1.17 1.82 -0.97 -0.72 -0.02 -0.95 -2.14 135.00 133.19 2by8 n PRO 173 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2by8 n PRO 173 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2by8 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2by8 n GLY 174 N 2.42 0.51 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.78 2by8 n GLY 174 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2by8 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by8 n GLN 175 N -2.11 2.35 -3.49 1.61 6.02 -0.91 -5.01 117.38 115.84 2by8 n GLN 175 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2by8 n GLN 175 Cb 0.07 -0.78 -0.10 0.00 1.02 0.00 0.00 30.24 30.45 2by8 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2by8 s ILE 176 N -1.44 5.24 0.58 5.09 -1.09 -1.25 -5.02 121.20 123.31 2by8 s ILE 176 Ca 0.00 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 2by8 s ILE 176 Cb 0.00 -3.64 0.07 0.00 -1.58 0.00 0.00 42.46 37.31 2by8 s ILE 176 CO 0.00 0.16 0.81 0.42 -1.23 0.00 0.00 174.94 175.10 2by8 s THR 177 N 1.91 2.48 -1.29 2.92 -4.23 -1.26 -4.97 115.64 111.20 2by8 s THR 177 Ca 0.11 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2by8 s THR 177 Cb -0.16 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.08 2by8 s THR 177 CO 0.11 0.00 1.19 -1.54 -0.54 0.00 0.00 174.62 173.84 2by8 n SER 178 N -2.39 0.00 -1.46 3.99 3.41 -1.26 -2.09 113.62 113.83 2by8 n SER 178 Ca 0.11 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 2by8 n SER 178 Cb 0.60 -0.36 0.34 0.00 -0.26 0.00 0.00 64.21 64.53 2by8 n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2by8 n ASN 179 N -1.36 4.74 -4.09 4.04 3.02 -1.26 -4.92 115.26 115.42 2by8 n ASN 179 Ca 0.03 -2.68 -0.14 0.00 -0.03 0.00 0.00 54.58 51.77 2by8 n ASN 179 Cb 0.08 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 2by8 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2by8 s MET 180 N -2.26 0.61 0.05 3.52 -1.94 -0.89 -1.08 119.30 117.31 2by8 s MET 180 Ca 0.48 -0.84 -0.02 0.00 -1.71 0.00 0.00 55.69 53.60 2by8 s MET 180 Cb 0.34 -0.40 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 2by8 s MET 180 CO 0.18 0.07 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.67 2by8 s PHE 181 N -1.51 0.44 0.03 -0.03 -0.12 -0.33 -4.78 117.98 111.67 2by8 s PHE 181 Ca -0.07 -0.93 -0.01 0.00 -0.05 0.00 0.00 56.93 55.87 2by8 s PHE 181 Cb -0.09 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 2by8 s PHE 181 CO 0.01 -0.36 0.16 0.00 -0.05 0.00 0.00 175.22 174.97 2by8 s ALA 183 N -1.38 -0.36 0.00 0.00 0.00 -0.73 -0.73 121.76 118.56 2by8 s ALA 183 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2by8 s ALA 183 Cb -0.13 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2by8 s ALA 183 CO 0.22 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2by8 n GLY 183 N 1.03 0.19 2.68 0.00 0.00 -0.48 -2.70 105.19 105.91 2by8 n GLY 183 Ca -0.21 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 2by8 n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2by8 s TYR 184 N -1.27 0.04 0.36 1.61 2.02 -1.26 -4.33 117.35 114.52 2by8 s TYR 184 Ca 0.00 0.18 0.33 0.00 -0.37 0.00 0.00 57.07 57.22 2by8 s TYR 184 Cb 0.00 -0.49 1.64 0.00 -0.40 0.00 0.00 41.96 42.71 2by8 s TYR 184 CO 0.00 -0.28 2.11 -0.07 -1.57 0.00 0.00 175.55 175.73 2by8 h LEU 185 N 8.42 0.00 0.41 -1.29 3.38 -1.95 -3.44 115.31 120.84 2by8 h LEU 185 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2by8 h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2by8 h LEU 185 CO 0.18 0.06 -0.19 1.05 0.09 0.00 0.00 178.44 179.63 2by8 h GLU 186 N 0.00 -0.53 0.00 1.13 9.09 -1.96 0.19 114.58 122.51 2by8 h GLU 186 Ca -0.00 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.45 2by8 h GLU 186 Cb 0.33 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2by8 h GLU 186 CO 0.01 -0.35 0.00 0.41 0.05 0.00 0.00 179.01 179.13 2by8 n GLY 187 N 0.34 2.26 2.73 1.06 0.00 -0.07 -4.48 105.19 107.04 2by8 n GLY 187 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2by8 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2by8 s LYS 188 N -0.36 0.32 0.01 1.61 1.02 -1.26 -3.60 119.74 117.48 2by8 s LYS 188 Ca 0.00 0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 2by8 s LYS 188 Cb 0.00 -0.80 0.10 0.00 -0.52 0.00 0.00 37.83 36.61 2by8 s LYS 188 CO 0.00 -0.32 1.12 0.34 -0.92 0.00 0.00 175.35 175.57 2by8 s ASP 189 N 2.05 -0.15 0.89 2.83 2.15 -0.56 -4.31 116.67 119.58 2by8 s ASP 189 Ca 0.05 -0.18 -0.13 0.00 0.43 0.00 0.00 52.55 52.72 2by8 s ASP 189 Cb -0.12 0.29 0.14 0.00 -0.30 0.00 0.00 42.92 42.92 2by8 s ASP 189 CO -0.04 -0.52 1.20 -0.94 -0.17 0.00 0.00 175.17 174.70 2by8 s SER 190 N -2.76 3.72 0.37 -0.34 1.04 -1.26 -0.29 113.70 114.17 2by8 s SER 190 Ca 0.11 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 2by8 s SER 190 Cb 0.01 -1.07 0.05 0.00 0.10 0.00 0.00 66.02 65.11 2by8 s SER 190 CO -0.03 -2.39 0.69 0.00 0.98 0.00 0.00 173.24 172.49 2by8 n GLN 192 N -0.52 1.24 0.00 0.00 3.00 -1.26 -0.89 117.38 118.95 2by8 n GLN 192 Ca -0.06 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2by8 n GLN 192 Cb 0.56 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.81 2by8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2by8 n GLY 193 N 2.18 2.66 0.08 1.08 0.00 -1.26 -0.54 105.19 109.39 2by8 n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2by8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2by8 h ASP 194 N 0.00 0.00 -1.10 1.61 3.32 -1.33 -3.31 116.42 115.61 2by8 h ASP 194 Ca 0.00 -0.14 -0.73 0.00 0.02 0.00 0.00 57.03 56.18 2by8 h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 2by8 h ASP 194 CO 0.00 0.07 -0.13 -1.20 -1.72 0.00 0.00 179.24 176.26 2by8 n SER 195 N -2.22 -0.32 0.00 6.45 7.64 -1.25 -1.37 113.62 122.55 2by8 n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2by8 n SER 195 Cb 0.45 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2by8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2by8 n GLY 196 N 1.74 2.52 3.94 0.23 0.00 -0.05 -0.42 105.19 113.15 2by8 n GLY 196 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2by8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2by8 s GLY 197 N -1.94 1.76 0.36 -0.02 0.00 -0.47 -3.34 107.32 103.67 2by8 s GLY 197 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 2by8 s GLY 197 CO 0.00 -0.54 0.80 2.56 0.00 0.00 0.00 173.10 175.93 2by8 s PRO 198 N -5.72 4.06 -0.25 2.90 0.04 -1.26 -0.97 135.00 133.80 2by8 s PRO 198 Ca 0.71 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2by8 s PRO 198 Cb -0.05 -2.35 0.06 0.00 0.04 0.00 0.00 34.50 32.20 2by8 s PRO 198 CO 0.51 0.09 -0.08 0.08 0.04 0.00 0.00 177.00 177.64 2by8 s VAL 199 N -2.07 1.87 -0.11 -0.36 1.01 -0.19 -3.23 120.40 117.32 2by8 s VAL 199 Ca 0.56 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2by8 s VAL 199 Cb -0.10 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2by8 s VAL 199 CO 0.17 -0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.35 2by8 s VAL 200 N 1.24 2.85 -0.08 2.92 1.01 -0.43 -1.00 120.40 126.91 2by8 s VAL 200 Ca -0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2by8 s VAL 200 Cb -0.19 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2by8 s VAL 200 CO -0.06 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 2by8 n SER 202 N 4.73 -3.71 -0.01 0.00 7.64 -1.26 -1.48 113.62 119.52 2by8 n SER 202 Ca -0.14 -0.91 -0.00 0.00 1.01 0.00 0.00 58.87 58.83 2by8 n SER 202 Cb 0.50 -3.29 -0.00 0.00 -1.01 0.00 0.00 64.21 60.41 2by8 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2by8 n GLY 203 N -1.57 0.47 3.28 0.23 0.00 -1.26 -5.03 105.19 101.32 2by8 n GLY 203 Ca 0.03 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2by8 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2by8 s LYS 204 N -0.65 1.49 -0.66 1.61 -0.14 -0.55 -4.07 119.74 116.77 2by8 s LYS 204 Ca 0.00 -1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 53.34 2by8 s LYS 204 Cb 0.00 -1.64 0.04 0.00 -1.68 0.00 0.00 37.83 34.54 2by8 s LYS 204 CO 0.00 0.42 1.18 -1.17 -0.76 0.00 0.00 175.35 175.02 2by8 s LEU 209 N -1.24 3.49 -0.07 3.17 2.96 -0.07 -1.10 118.68 125.82 2by8 s LEU 209 Ca 0.09 -0.32 0.20 0.00 -0.22 0.00 0.00 54.13 53.88 2by8 s LEU 209 Cb -0.09 -2.77 -0.30 0.00 0.50 0.00 0.00 46.19 43.53 2by8 s LEU 209 CO 0.02 -1.61 0.35 0.00 -1.32 0.00 0.00 176.35 173.79 2by8 n GLN 210 N 8.68 0.69 -4.02 1.98 1.13 -0.17 -4.16 117.38 121.51 2by8 n GLN 210 Ca 0.04 -0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 54.87 2by8 n GLN 210 Cb 0.48 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.26 2by8 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2by8 s GLY 211 N -4.59 0.53 -0.08 1.08 0.00 -0.76 -1.68 107.32 101.81 2by8 s GLY 211 Ca -0.08 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.60 2by8 s GLY 211 CO 0.83 -1.11 -0.17 -0.42 0.00 0.00 0.00 173.10 172.24 2by8 s ILE 212 N -3.95 1.49 -0.04 0.90 1.01 -1.04 -1.02 121.20 118.54 2by8 s ILE 212 Ca 0.13 -0.69 -0.32 0.00 0.00 0.00 0.00 60.65 59.78 2by8 s ILE 212 Cb 0.06 -1.32 -0.10 0.00 0.01 0.00 0.00 42.46 41.12 2by8 s ILE 212 CO -0.05 0.43 1.97 0.52 0.00 0.00 0.00 174.94 177.81 2by8 n VAL 213 N 3.65 0.65 0.02 2.92 0.31 -0.15 -1.32 118.33 124.42 2by8 n VAL 213 Ca -0.21 -0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2by8 n VAL 213 Cb 0.52 -2.15 -0.00 0.00 -0.91 0.00 0.00 33.84 31.31 2by8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2by8 n SER 214 N 7.57 0.61 -3.46 4.52 2.88 -0.96 -0.87 113.62 123.90 2by8 n SER 214 Ca 0.22 0.08 -0.07 0.00 -1.33 0.00 0.00 58.87 57.77 2by8 n SER 214 Cb 0.36 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2by8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2by8 s TRP 215 N -1.55 -0.05 0.00 0.66 1.48 -0.62 -4.94 118.94 113.93 2by8 s TRP 215 Ca -0.01 -0.47 0.00 0.00 -1.06 0.00 0.00 56.10 54.56 2by8 s TRP 215 Cb 0.00 0.75 0.00 0.00 -1.16 0.00 0.00 33.47 33.06 2by8 s TRP 215 CO 0.01 -1.28 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 2by8 n GLY 216 N -0.51 0.49 3.51 3.67 0.00 -1.26 -0.62 105.19 110.47 2by8 n GLY 216 Ca -0.06 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2by8 n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2by8 s SER 217 N 0.00 6.33 0.94 1.61 0.15 -1.26 -4.87 113.70 116.61 2by8 s SER 217 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2by8 s SER 217 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2by8 s SER 217 CO 0.00 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2by8 n GLY 219 N 5.06 0.93 2.81 9.45 0.00 -1.26 -4.61 105.19 117.58 2by8 n GLY 219 Ca -0.01 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2by8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by8 n ALA 220 N 3.91 -0.40 -2.16 0.00 0.00 -1.26 -4.61 120.51 115.98 2by8 n ALA 220 Ca -0.24 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2by8 n ALA 220 Cb 0.52 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 2by8 n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2by8 s GLN 221 N -4.33 4.02 0.24 0.00 -1.52 -1.26 -0.89 119.66 115.92 2by8 s GLN 221 Ca 0.00 0.67 -0.31 0.00 -1.95 0.00 0.00 55.36 53.76 2by8 s GLN 221 Cb 0.00 -2.52 -0.13 0.00 -0.22 0.00 0.00 33.01 30.14 2by8 s GLN 221 CO 0.00 0.21 1.50 1.17 -0.25 0.00 0.00 175.29 177.92 2by8 n LYS 222 N -0.16 2.29 -1.25 2.91 4.81 -1.26 -2.11 118.16 123.38 2by8 n LYS 222 Ca 0.02 0.82 -0.09 0.00 -0.87 0.00 0.00 58.31 58.19 2by8 n LYS 222 Cb 0.53 -2.54 -0.04 0.00 0.02 0.00 0.00 35.03 33.00 2by8 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2by8 n ASN 223 N 2.42 -4.88 -3.33 3.14 5.03 0.67 -4.91 115.26 113.39 2by8 n ASN 223 Ca 0.12 0.22 -0.26 0.00 0.87 0.00 0.00 54.58 55.53 2by8 n ASN 223 Cb 0.33 -3.15 -0.08 0.00 -1.02 0.00 0.00 39.78 35.85 2by8 n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2by8 n LYS 224 N -1.65 0.88 -1.24 3.52 4.76 -0.90 -4.73 118.16 118.81 2by8 n LYS 224 Ca -0.09 -3.50 -0.29 0.00 -2.87 0.00 0.00 58.31 51.57 2by8 n LYS 224 Cb 0.43 -1.57 0.17 0.00 -1.84 0.00 0.00 35.03 32.22 2by8 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2by8 s PRO 225 N -1.01 0.44 0.47 1.97 0.04 -1.26 -4.30 135.00 131.34 2by8 s PRO 225 Ca 0.34 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 2by8 s PRO 225 Cb 0.11 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.83 2by8 s PRO 225 CO -0.13 -2.70 1.18 0.20 0.04 0.00 0.00 177.00 175.59 2by8 s GLY 226 N -3.60 2.79 -0.09 0.56 0.00 -1.10 -4.67 107.32 101.22 2by8 s GLY 226 Ca 0.65 0.97 0.02 0.00 0.00 0.00 0.00 44.72 46.36 2by8 s GLY 226 CO 0.57 1.43 -0.15 0.14 0.00 0.00 0.00 173.10 175.09 2by8 s VAL 227 N -1.52 2.95 0.01 1.40 1.01 0.21 -1.77 120.40 122.70 2by8 s VAL 227 Ca 0.64 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2by8 s VAL 227 Cb -0.30 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2by8 s VAL 227 CO 0.36 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.58 2by8 s TYR 228 N -0.16 1.10 0.20 5.22 2.02 0.40 -1.58 117.35 124.54 2by8 s TYR 228 Ca -0.01 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.12 2by8 s TYR 228 Cb -0.14 -0.68 -0.09 0.00 -0.40 0.00 0.00 41.96 40.65 2by8 s TYR 228 CO 0.03 0.00 1.36 0.99 -1.57 0.00 0.00 175.55 176.37 2by8 s THR 229 N -0.54 3.06 -0.91 -0.71 2.01 -0.43 -1.19 115.64 116.94 2by8 s THR 229 Ca 0.03 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 62.68 2by8 s THR 229 Cb -0.06 -3.55 0.10 0.00 0.01 0.00 0.00 72.50 69.01 2by8 s THR 229 CO 0.00 0.12 1.17 -0.75 -0.69 0.00 0.00 174.62 174.47 2by8 s LYS 230 N 0.06 3.52 0.37 4.92 2.20 -0.24 -2.50 119.74 128.06 2by8 s LYS 230 Ca 0.59 -1.47 0.05 0.00 -0.36 0.00 0.00 55.97 54.78 2by8 s LYS 230 Cb -0.38 -4.89 0.72 0.00 -1.51 0.00 0.00 37.83 31.77 2by8 s LYS 230 CO 0.38 -1.87 2.00 0.28 -0.36 0.00 0.00 175.35 175.78 2by8 h VAL 231 N 6.05 1.10 -0.39 4.02 2.07 -1.62 -2.13 116.25 125.36 2by8 h VAL 231 Ca 0.09 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.47 2by8 h VAL 231 Cb 1.03 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2by8 h VAL 231 CO 1.19 0.14 0.32 0.00 0.02 0.00 0.00 177.57 179.24 2by8 n ASN 233 N -4.12 0.41 -0.32 0.00 3.02 -0.80 -3.42 115.26 110.03 2by8 n ASN 233 Ca 0.06 0.60 0.04 0.00 -0.03 0.00 0.00 54.58 55.25 2by8 n ASN 233 Cb 0.51 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 39.03 2by8 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2by8 n TYR 234 N -1.95 0.04 -0.32 3.10 4.01 0.14 -4.69 117.16 117.49 2by8 n TYR 234 Ca 0.03 -0.06 -0.04 0.00 -0.16 0.00 0.00 57.90 57.66 2by8 n TYR 234 Cb 0.21 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.32 2by8 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2by8 h VAL 235 N 1.49 1.25 -0.49 -0.72 2.07 -1.57 0.72 116.25 119.00 2by8 h VAL 235 Ca 0.00 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2by8 h VAL 235 Cb 0.36 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2by8 h VAL 235 CO 0.00 0.29 0.06 0.28 0.02 0.00 0.00 177.57 178.22 2by8 h SER 236 N 1.20 0.80 -0.53 0.57 0.02 -1.86 -0.63 113.55 113.12 2by8 h SER 236 Ca 0.30 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2by8 h SER 236 Cb 0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2by8 h SER 236 CO -0.05 0.87 0.31 -0.25 -1.14 0.00 0.00 176.83 176.57 2by8 h TRP 237 N 0.70 0.71 -0.21 3.45 7.01 -1.75 -1.15 115.95 124.71 2by8 h TRP 237 Ca 0.15 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2by8 h TRP 237 Cb 0.42 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2by8 h TRP 237 CO 0.03 0.51 0.11 0.82 -2.79 0.00 0.00 178.44 177.12 2by8 h ILE 238 N 0.71 1.11 -0.42 2.65 2.04 -0.59 0.01 117.51 123.03 2by8 h ILE 238 Ca 0.19 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2by8 h ILE 238 Cb 0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2by8 h ILE 238 CO -0.03 0.11 0.15 0.11 0.00 0.00 0.00 178.15 178.49 2by8 h LYS 239 N 0.23 0.63 -0.30 2.37 1.57 -1.01 -0.92 116.57 119.14 2by8 h LYS 239 Ca 0.07 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2by8 h LYS 239 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2by8 h LYS 239 CO -0.01 0.61 -0.32 -0.56 -0.57 0.00 0.00 179.45 178.60 2by8 h GLN 240 N 0.53 0.65 -0.27 3.15 -0.00 -1.10 -1.46 115.11 116.61 2by8 h GLN 240 Ca 0.14 -0.30 -0.02 0.00 -0.00 0.00 0.00 58.65 58.47 2by8 h GLN 240 Cb 0.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.68 2by8 h GLN 240 CO -0.01 0.89 0.07 1.15 -0.00 0.00 0.00 178.83 180.93 2by8 h THR 241 N 0.56 1.21 -0.81 1.86 2.02 -0.76 -2.71 112.91 114.27 2by8 h THR 241 Ca 0.06 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2by8 h THR 241 Cb 0.82 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 2by8 h THR 241 CO 0.07 0.22 0.53 0.40 0.37 0.00 0.00 175.52 177.11 2by8 h ILE 242 N 0.27 1.16 0.00 3.11 2.04 -1.05 -2.36 117.51 120.68 2by8 h ILE 242 Ca 0.09 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2by8 h ILE 242 Cb 0.27 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2by8 h ILE 242 CO -0.00 0.19 -0.04 0.00 0.00 0.00 0.00 178.15 178.30 2by8 h ALA 243 N 1.32 1.18 -0.07 1.87 0.00 -0.96 -2.99 119.26 119.62 2by8 h ALA 243 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2by8 h ALA 243 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2by8 h ALA 243 CO -0.09 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.64 2by8 n SER 244 N -3.40 2.30 0.00 0.00 7.64 -0.99 -5.10 113.62 114.07 2by8 n SER 244 Ca -0.02 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2by8 n SER 244 Cb 0.17 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2by8 n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62