#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gea s MET 2 N 0.00 0.93 0.30 -0.99 -1.94 0.34 -4.88 119.30 113.06 3gea s MET 2 Ca 0.00 -1.11 0.08 0.00 -1.71 0.00 0.00 55.69 52.95 3gea s MET 2 Cb 0.00 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 3gea s MET 2 CO 0.00 0.18 0.13 0.95 -0.01 0.00 0.00 175.02 176.26 3gea s THR 3 N -1.76 3.47 0.00 2.05 -4.23 -1.26 -0.85 115.64 113.06 3gea s THR 3 Ca 0.04 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3gea s THR 3 Cb -0.07 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3gea s THR 3 CO 0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3gea n GLY 4 N -1.11 3.22 3.58 3.99 0.00 -1.26 -5.00 105.19 108.62 3gea n GLY 4 Ca -0.05 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 3gea n GLY 4 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gea s HIS 5 N 4.05 3.10 -0.16 1.61 2.46 0.15 -4.93 115.29 121.57 3gea s HIS 5 Ca 0.00 -0.07 -0.04 0.00 0.47 0.00 0.00 55.06 55.42 3gea s HIS 5 Cb 0.00 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.51 3gea s HIS 5 CO 0.00 0.17 -0.03 -1.58 -2.47 0.00 0.00 174.74 170.83 3gea s HIS 6 N -0.08 3.03 0.32 3.88 5.04 -1.26 -5.57 115.29 120.64 3gea s HIS 6 Ca 0.03 -0.30 0.29 0.00 -1.54 0.00 0.00 55.06 53.54 3gea s HIS 6 Cb -0.13 -1.97 1.41 0.00 0.04 0.00 0.00 32.58 31.92 3gea s HIS 6 CO 0.02 -0.05 2.03 0.45 -2.34 0.00 0.00 174.74 174.85 3gea h HIS 7 N 6.78 0.00 0.00 3.88 3.86 -1.38 -3.49 115.15 124.80 3gea h HIS 7 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3gea h HIS 7 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 3gea h HIS 7 CO 0.54 0.11 -0.56 0.72 0.86 0.00 0.00 177.93 179.60 3gea n HIS 8 N -3.42 0.00 0.00 2.45 8.25 -1.26 -5.10 115.22 116.13 3gea n HIS 8 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3gea n HIS 8 Cb 0.28 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3gea n HIS 8 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gea n LYS 13 N -2.66 0.00 -4.29 -0.41 4.01 -1.26 -5.15 118.16 108.40 3gea n LYS 13 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 3gea n LYS 13 Cb 0.28 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.70 3gea n LYS 13 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3gea s TRP 14 N 0.00 2.77 0.05 2.13 0.52 -1.26 0.06 118.94 123.21 3gea s TRP 14 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 55.99 3gea s TRP 14 Cb 0.00 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 3gea s TRP 14 CO 0.00 0.41 -0.04 -1.21 0.02 0.00 0.00 176.95 176.12 3gea s GLU 15 N -2.03 0.54 0.07 4.98 2.02 -0.52 -4.68 118.70 119.08 3gea s GLU 15 Ca 0.20 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3gea s GLU 15 Cb -0.11 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 3gea s GLU 15 CO 0.12 -0.05 -0.05 -1.58 0.02 0.00 0.00 175.26 173.72 3gea s TRP 16 N -2.67 0.69 -0.03 1.61 0.52 -0.03 -1.43 118.94 117.60 3gea s TRP 16 Ca -0.02 -0.88 -0.01 0.00 0.02 0.00 0.00 56.10 55.21 3gea s TRP 16 Cb -0.01 -0.43 0.03 0.00 -1.15 0.00 0.00 33.47 31.90 3gea s TRP 16 CO -0.05 -0.22 0.06 0.21 0.02 0.00 0.00 176.95 176.98 3gea s LYS 17 N -3.36 0.01 0.10 4.98 2.20 -0.03 -0.50 119.74 123.14 3gea s LYS 17 Ca 0.05 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3gea s LYS 17 Cb 0.03 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3gea s LYS 17 CO -0.05 -0.13 0.23 0.14 -0.36 0.00 0.00 175.35 175.18 3gea s VAL 18 N 0.85 5.28 0.73 4.02 -7.23 -1.26 -0.67 120.40 122.12 3gea s VAL 18 Ca -0.07 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 3gea s VAL 18 Cb -0.10 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.25 3gea s VAL 18 CO -0.03 0.03 1.10 -0.83 -0.31 0.00 0.00 175.10 175.06 3gea s GLY 19 N -2.83 1.62 0.30 2.32 0.00 0.14 -4.96 107.32 103.91 3gea s GLY 19 Ca 0.34 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.56 3gea s GLY 19 CO 0.28 -0.14 0.17 -1.30 0.00 0.00 0.00 173.10 172.11 3gea n THR 20 N -3.06 0.00 -0.99 0.90 -2.24 -1.26 -4.75 114.28 102.87 3gea n THR 20 Ca 0.07 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 3gea n THR 20 Cb 0.59 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3gea n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gea n GLY 21 N -0.38 0.45 1.34 3.38 0.00 -1.26 -4.88 105.19 103.83 3gea n GLY 21 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3gea n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gea n LEU 22 N 0.00 3.96 -0.08 0.99 4.77 -1.26 -4.58 117.00 120.81 3gea n LEU 22 Ca 0.00 -2.02 0.04 0.00 -0.03 0.00 0.00 56.01 54.00 3gea n LEU 22 Cb 0.08 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.74 3gea n LEU 22 CO 0.00 0.97 0.48 -0.46 -1.33 0.00 0.00 177.39 177.06 3gea n ASN 23 N 1.58 1.77 -1.17 -1.43 6.94 -1.23 -1.28 115.26 120.44 3gea n ASN 23 Ca 0.24 -2.38 0.05 0.00 -0.02 0.00 0.00 54.58 52.47 3gea n ASN 23 Cb 0.63 -0.20 0.08 0.00 -2.36 0.00 0.00 39.78 37.93 3gea n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gea n GLY 24 N -0.81 2.40 3.77 4.83 0.00 -1.07 -4.11 105.19 110.19 3gea n GLY 24 Ca 0.07 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3gea n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gea s PHE 25 N -1.10 2.71 -0.10 1.61 0.08 -0.98 -4.80 117.98 115.41 3gea s PHE 25 Ca 0.35 1.40 0.04 0.00 0.12 0.00 0.00 56.93 58.83 3gea s PHE 25 Cb 0.37 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 3gea s PHE 25 CO -0.13 -2.24 -0.22 0.20 -0.10 0.00 0.00 175.22 172.72 3gea s GLY 26 N -0.79 1.27 0.08 4.36 0.00 -1.26 -0.39 107.32 110.59 3gea s GLY 26 Ca 0.60 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.41 3gea s GLY 26 CO 0.48 -0.24 -0.05 -0.56 0.00 0.00 0.00 173.10 172.74 3gea s SER 27 N 0.43 0.86 0.34 1.64 0.01 -0.16 -4.98 113.70 111.85 3gea s SER 27 Ca -0.17 -1.02 0.08 0.00 1.31 0.00 0.00 55.95 56.15 3gea s SER 27 Cb -0.17 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 3gea s SER 27 CO 0.07 -0.53 -0.05 0.68 0.41 0.00 0.00 173.24 173.82 3gea s VAL 28 N -3.75 1.98 0.42 3.43 -7.23 -1.26 -1.28 120.40 112.70 3gea s VAL 28 Ca 0.11 -2.13 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3gea s VAL 28 Cb 0.06 -2.69 0.27 0.00 0.56 0.00 0.00 36.38 34.58 3gea s VAL 28 CO -0.06 -0.16 2.06 -0.07 -0.31 0.00 0.00 175.10 176.55 3gea h LEU 29 N 2.03 0.43 0.00 1.32 3.38 -1.76 0.13 115.31 120.84 3gea h LEU 29 Ca -0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3gea h LEU 29 Cb 1.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gea h LEU 29 CO 0.72 0.31 0.00 0.59 0.09 0.00 0.00 178.44 180.15 3gea n ASN 30 N -4.48 0.00 0.22 -0.43 4.13 -1.26 -1.07 115.26 112.37 3gea n ASN 30 Ca 0.03 0.45 0.11 0.00 1.68 0.00 0.00 54.58 56.85 3gea n ASN 30 Cb 0.08 -0.47 0.43 0.00 -1.54 0.00 0.00 39.78 38.27 3gea n ASN 30 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3gea h ASP 31 N 0.00 0.00 -4.24 6.41 3.32 -1.14 -3.45 116.42 117.31 3gea h ASP 31 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3gea h ASP 31 Cb 0.16 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.79 3gea h ASP 31 CO 0.00 0.18 0.37 -0.76 -1.72 0.00 0.00 179.24 177.32 3gea s LEU 32 N -6.56 3.37 0.49 1.55 1.43 -0.23 -4.80 118.68 113.92 3gea s LEU 32 Ca 0.02 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 3gea s LEU 32 Cb 0.09 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 3gea s LEU 32 CO 0.63 -1.32 0.02 -0.89 0.23 0.00 0.00 176.35 175.03 3gea s THR 33 N -2.62 1.17 -1.23 5.49 2.01 0.46 -4.61 115.64 116.31 3gea s THR 33 Ca 0.62 -2.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 3gea s THR 33 Cb -0.16 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 3gea s THR 33 CO 0.43 0.00 0.69 0.59 -0.69 0.00 0.00 174.62 175.64 3gea n ASN 34 N -1.23 -3.48 -1.64 3.53 4.13 -1.26 -1.15 115.26 114.15 3gea n ASN 34 Ca -0.16 -0.97 -0.12 0.00 1.68 0.00 0.00 54.58 55.00 3gea n ASN 34 Cb 0.67 -3.46 0.01 0.00 -1.54 0.00 0.00 39.78 35.46 3gea n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gea n GLY 35 N -1.73 -0.02 1.99 7.41 0.00 -1.26 -2.98 105.19 108.61 3gea n GLY 35 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3gea n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gea n GLY 36 N -1.13 0.41 0.00 -0.02 0.00 -1.11 -4.56 105.19 98.78 3gea n GLY 36 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.13 3gea n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gea n THR 37 N -3.00 0.00 -4.76 2.61 -2.24 -0.66 -0.99 114.28 105.25 3gea n THR 37 Ca 0.00 -0.33 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 3gea n THR 37 Cb 0.00 0.88 -0.17 0.00 -2.10 0.00 0.00 70.33 68.94 3gea n THR 37 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gea s LYS 38 N -1.65 2.15 -0.11 -0.78 2.20 -0.30 -0.31 119.74 120.95 3gea s LYS 38 Ca 0.01 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 3gea s LYS 38 Cb 0.04 -1.72 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 3gea s LYS 38 CO 0.21 0.06 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.91 3gea s LEU 39 N 0.61 2.42 -0.16 5.43 2.96 0.78 -0.41 118.68 130.31 3gea s LEU 39 Ca -0.15 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3gea s LEU 39 Cb -0.16 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.03 3gea s LEU 39 CO 0.05 0.18 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.17 3gea s THR 40 N 0.22 2.02 -0.20 3.68 2.01 -1.26 -0.06 115.64 122.05 3gea s THR 40 Ca -0.12 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 3gea s THR 40 Cb -0.16 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3gea s THR 40 CO 0.06 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 173.95 3gea s ILE 41 N 1.10 4.51 -0.36 1.82 -1.09 0.36 -4.98 121.20 122.56 3gea s ILE 41 Ca -0.00 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.19 3gea s ILE 41 Cb -0.14 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3gea s ILE 41 CO -0.08 0.43 0.19 -0.89 -1.23 0.00 0.00 174.94 173.36 3gea s THR 42 N 0.74 4.57 0.30 2.92 2.01 -1.26 -0.68 115.64 124.23 3gea s THR 42 Ca 0.03 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 3gea s THR 42 Cb -0.14 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 3gea s THR 42 CO 0.02 -0.15 1.11 -0.69 -0.69 0.00 0.00 174.62 174.22 3gea s VAL 43 N 1.57 3.44 -0.20 3.82 1.01 -0.62 -4.87 120.40 124.56 3gea s VAL 43 Ca 0.03 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 3gea s VAL 43 Cb -0.19 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3gea s VAL 43 CO 0.06 0.30 0.08 0.42 0.00 0.00 0.00 175.10 175.97 3gea s THR 44 N -1.22 4.89 0.00 3.92 -4.23 -1.26 -0.41 115.64 117.32 3gea s THR 44 Ca 0.47 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3gea s THR 44 Cb -0.31 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.30 3gea s THR 44 CO 0.40 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 3gea n GLY 45 N 3.75 -0.76 3.30 3.99 0.00 -1.26 -4.86 105.19 109.35 3gea n GLY 45 Ca -0.16 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3gea n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gea s ASN 46 N -1.61 5.35 -0.20 1.61 -0.87 -1.26 -2.01 114.94 115.95 3gea s ASN 46 Ca 0.00 -1.07 -0.03 0.00 -1.57 0.00 0.00 52.86 50.19 3gea s ASN 46 Cb 0.00 -1.89 -0.01 0.00 -0.02 0.00 0.00 41.25 39.33 3gea s ASN 46 CO 0.00 -0.32 -0.05 -0.54 -2.57 0.00 0.00 177.10 173.62 3gea s LYS 47 N 1.44 3.42 0.52 -0.60 -0.14 -0.21 -4.85 119.74 119.32 3gea s LYS 47 Ca -0.01 -0.62 -0.20 0.00 -1.36 0.00 0.00 55.97 53.79 3gea s LYS 47 Cb -0.19 -2.96 -0.07 0.00 -1.68 0.00 0.00 37.83 32.93 3gea s LYS 47 CO 0.03 -0.10 1.09 -1.25 -0.76 0.00 0.00 175.35 174.37 3gea s PRO 48 N 1.22 3.52 -0.18 -1.68 0.04 -1.26 -0.24 135.00 136.42 3gea s PRO 48 Ca 0.03 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 3gea s PRO 48 Cb -0.14 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 3gea s PRO 48 CO -0.01 -0.69 -0.29 -0.89 0.04 0.00 0.00 177.00 175.16 3gea n ILE 49 N -1.22 1.34 -3.72 0.56 5.41 0.31 -3.87 119.36 118.17 3gea n ILE 49 Ca 0.11 -0.07 -0.15 0.00 1.00 0.00 0.00 62.75 63.64 3gea n ILE 49 Cb 0.52 -2.00 -0.15 0.00 -0.71 0.00 0.00 39.64 37.29 3gea n ILE 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3gea s LEU 50 N -7.47 0.51 0.00 1.39 2.96 -0.60 -0.68 118.68 114.79 3gea s LEU 50 Ca -0.28 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 3gea s LEU 50 Cb 0.08 0.26 -0.02 0.00 0.50 0.00 0.00 46.19 47.01 3gea s LEU 50 CO 0.37 -0.18 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.22 3gea s LEU 51 N 1.52 2.21 0.07 -0.68 1.43 0.16 -0.84 118.68 122.55 3gea s LEU 51 Ca -0.05 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3gea s LEU 51 Cb -0.12 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3gea s LEU 51 CO -0.05 0.30 -0.10 -0.83 0.23 0.00 0.00 176.35 175.89 3gea s GLY 52 N -0.89 0.70 -0.01 -3.19 0.00 -0.36 -0.85 107.32 102.72 3gea s GLY 52 Ca 0.11 -0.95 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 3gea s GLY 52 CO 0.01 -1.00 0.50 1.09 0.00 0.00 0.00 173.10 173.70 3gea s ARG 53 N -1.97 0.91 0.30 2.90 1.70 -0.51 -0.59 118.95 121.69 3gea s ARG 53 Ca -0.03 -0.03 -0.29 0.00 -0.47 0.00 0.00 55.73 54.90 3gea s ARG 53 Cb -0.08 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.62 3gea s ARG 53 CO 0.01 -0.28 1.22 0.95 -1.08 0.00 0.00 175.30 176.12 3gea s THR 54 N -1.56 3.06 0.06 4.99 -4.23 -0.69 -1.44 115.64 115.83 3gea s THR 54 Ca -0.10 1.05 0.14 0.00 -1.18 0.00 0.00 61.69 61.60 3gea s THR 54 Cb -0.02 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.17 3gea s THR 54 CO 0.05 0.24 1.53 0.11 -0.54 0.00 0.00 174.62 176.01 3gea h LYS 55 N 3.72 0.00 -3.21 3.99 1.79 -0.71 -3.46 116.57 118.69 3gea h LYS 55 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3gea h LYS 55 Cb 1.22 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.78 3gea h LYS 55 CO 0.67 0.57 0.10 -1.83 -1.08 0.00 0.00 179.45 177.88 3gea s GLU 56 N -3.20 1.51 0.73 3.15 1.03 -1.26 -5.11 118.70 115.55 3gea s GLU 56 Ca 0.01 -0.90 -0.14 0.00 0.03 0.00 0.00 54.97 53.98 3gea s GLU 56 Cb 0.10 0.55 0.04 0.00 -0.80 0.00 0.00 34.13 34.02 3gea s GLU 56 CO 0.74 -0.66 1.16 0.00 -1.33 0.00 0.00 175.26 175.17 3gea s ALA 57 N -3.89 2.18 0.30 -0.84 0.00 -1.26 -4.94 121.76 113.32 3gea s ALA 57 Ca 0.10 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3gea s ALA 57 Cb -0.02 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3gea s ALA 57 CO 0.00 -1.75 0.06 1.19 0.00 0.00 0.00 175.76 175.27 3gea n PHE 58 N -2.83 0.24 -0.01 0.00 0.99 -0.70 -4.94 117.46 110.21 3gea n PHE 58 Ca 0.12 -1.44 0.00 0.00 -0.00 0.00 0.00 57.45 56.13 3gea n PHE 58 Cb 0.51 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.78 3gea n PHE 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gea n GLY 65 N 1.36 0.00 3.85 1.37 0.00 -1.26 -2.39 105.19 108.13 3gea n GLY 65 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3gea n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gea s VAL 66 N 0.03 4.71 -1.22 1.61 1.01 -1.26 -4.76 120.40 120.51 3gea s VAL 66 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 3gea s VAL 66 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3gea s VAL 66 CO 0.00 -0.09 1.84 1.51 0.00 0.00 0.00 175.10 178.36 3gea s ASP 67 N -2.17 5.80 -0.24 3.32 3.84 -1.26 -3.15 116.67 122.82 3gea s ASP 67 Ca 0.51 -1.96 -0.18 0.00 -0.00 0.00 0.00 52.55 50.92 3gea s ASP 67 Cb -0.12 -2.58 -0.16 0.00 -1.38 0.00 0.00 42.92 38.68 3gea s ASP 67 CO 0.19 -2.26 -0.05 0.61 -0.00 0.00 0.00 175.17 173.65 3gea n GLY 68 N 5.69 -0.67 3.06 2.12 0.00 -0.13 -4.75 105.19 110.51 3gea n GLY 68 Ca 0.46 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 3gea n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gea s ILE 69 N -2.43 2.46 0.03 -0.61 -1.09 0.47 -4.95 121.20 115.08 3gea s ILE 69 Ca -0.33 -2.01 -0.20 0.00 -2.23 0.00 0.00 60.65 55.88 3gea s ILE 69 Cb 0.10 -2.65 -0.06 0.00 -1.58 0.00 0.00 42.46 38.27 3gea s ILE 69 CO 0.54 -0.40 0.59 -2.16 -1.23 0.00 0.00 174.94 172.28 3gea s PRO 70 N 1.03 4.28 0.18 2.79 0.04 -1.26 -1.29 135.00 140.76 3gea s PRO 70 Ca 0.03 0.75 0.08 0.00 0.04 0.00 0.00 61.00 61.90 3gea s PRO 70 Cb -0.20 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3gea s PRO 70 CO -0.06 0.47 -0.02 -1.01 0.04 0.00 0.00 177.00 176.42 3gea s HIS 71 N -0.55 2.78 -0.09 0.56 3.76 -0.04 -0.64 115.29 121.07 3gea s HIS 71 Ca 0.30 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 3gea s HIS 71 Cb -0.19 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.17 3gea s HIS 71 CO 0.18 0.52 -0.18 0.42 -0.85 0.00 0.00 174.74 174.84 3gea s ILE 72 N -1.76 1.59 0.08 0.60 1.01 -0.25 -1.31 121.20 121.15 3gea s ILE 72 Ca 0.27 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3gea s ILE 72 Cb -0.09 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3gea s ILE 72 CO 0.18 0.46 -0.00 0.00 0.00 0.00 0.00 174.94 175.57 3gea s ALA 73 N 0.57 0.63 0.08 9.38 0.00 0.16 -4.17 121.76 128.40 3gea s ALA 73 Ca -0.15 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.56 3gea s ALA 73 Cb -0.17 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3gea s ALA 73 CO 0.05 -0.41 -0.14 -0.06 0.00 0.00 0.00 175.76 175.20 3gea s PHE 74 N -3.96 1.25 0.07 0.00 0.08 -1.26 -1.05 117.98 113.11 3gea s PHE 74 Ca 0.13 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.71 3gea s PHE 74 Cb 0.08 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 3gea s PHE 74 CO -0.06 0.07 -0.05 0.95 -0.10 0.00 0.00 175.22 176.02 3gea s THR 75 N -1.37 0.50 0.23 0.64 -4.23 -0.54 -0.95 115.64 109.91 3gea s THR 75 Ca -0.01 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3gea s THR 75 Cb -0.09 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.38 3gea s THR 75 CO 0.02 -0.83 0.31 -0.90 -0.54 0.00 0.00 174.62 172.69 3gea n ASP 76 N 0.30 0.53 0.01 3.99 5.68 -0.27 -0.79 116.55 126.00 3gea n ASP 76 Ca -0.15 -1.42 0.11 0.00 -0.50 0.00 0.00 54.79 52.83 3gea n ASP 76 Cb 0.60 -0.19 0.47 0.00 -1.14 0.00 0.00 41.12 40.86 3gea n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gea n TYR 77 N -1.73 0.11 1.15 2.11 0.18 -1.25 -1.49 117.16 116.24 3gea n TYR 77 Ca 0.05 0.04 0.12 0.00 1.88 0.00 0.00 57.90 59.99 3gea n TYR 77 Cb 0.20 -0.56 0.37 0.00 -0.38 0.00 0.00 39.34 38.96 3gea n TYR 77 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3gea n GLU 78 N -1.60 1.87 -0.95 -3.48 1.02 -1.26 -4.94 120.64 111.31 3gea n GLU 78 Ca 0.05 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 3gea n GLU 78 Cb 0.27 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3gea n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gea n GLY 79 N 1.21 0.59 3.87 0.62 0.00 -0.56 -5.05 105.19 105.88 3gea n GLY 79 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3gea n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gea s ALA 80 N -2.28 3.57 0.63 4.61 0.00 -1.26 -4.77 121.76 122.26 3gea s ALA 80 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 3gea s ALA 80 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 3gea s ALA 80 CO 0.00 0.49 1.15 -1.54 0.00 0.00 0.00 175.76 175.87 3gea s SER 81 N -2.16 5.12 -0.14 0.00 1.04 -1.26 -1.11 113.70 115.19 3gea s SER 81 Ca 0.44 2.19 0.01 0.00 0.48 0.00 0.00 55.95 59.07 3gea s SER 81 Cb -0.12 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.44 3gea s SER 81 CO 0.20 -1.63 -0.15 -0.69 0.98 0.00 0.00 173.24 171.95 3gea s VAL 82 N -1.97 1.59 -0.15 5.02 1.01 -0.12 -4.77 120.40 121.00 3gea s VAL 82 Ca 0.72 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3gea s VAL 82 Cb -0.25 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3gea s VAL 82 CO 0.37 0.46 0.33 -1.83 0.00 0.00 0.00 175.10 174.43 3gea s GLU 83 N 1.30 4.28 -0.19 2.72 -1.05 -1.26 -4.08 118.70 120.41 3gea s GLU 83 Ca 0.01 0.17 -0.21 0.00 -0.15 0.00 0.00 54.97 54.79 3gea s GLU 83 Cb -0.14 -3.43 -0.02 0.00 -0.44 0.00 0.00 34.13 30.10 3gea s GLU 83 CO -0.08 0.21 0.64 -1.17 0.95 0.00 0.00 175.26 175.82 3gea s LEU 84 N 0.52 4.15 0.07 1.83 2.96 -1.26 -4.55 118.68 122.40 3gea s LEU 84 Ca 0.19 0.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 3gea s LEU 84 Cb -0.13 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 3gea s LEU 84 CO 0.05 -0.28 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.54 3gea s ARG 85 N 1.89 0.82 0.39 1.98 0.52 -0.58 -4.74 118.95 119.23 3gea s ARG 85 Ca 0.29 -0.96 -0.24 0.00 -0.52 0.00 0.00 55.73 54.30 3gea s ARG 85 Cb -0.16 -0.82 -0.10 0.00 0.52 0.00 0.00 34.95 34.40 3gea s ARG 85 CO 0.11 0.18 1.00 -0.80 0.02 0.00 0.00 175.30 175.80 3gea s ASN 86 N -1.77 6.94 0.44 0.23 0.02 -1.26 0.11 114.94 119.66 3gea s ASN 86 Ca -0.02 1.90 -0.20 0.00 -1.02 0.00 0.00 52.86 53.52 3gea s ASN 86 Cb -0.10 -2.57 -0.10 0.00 0.02 0.00 0.00 41.25 38.49 3gea s ASN 86 CO 0.02 -0.36 0.95 -2.16 0.02 0.00 0.00 177.10 175.57 3gea s PRO 87 N -2.54 4.18 0.49 -0.60 0.04 -1.26 -4.77 135.00 130.54 3gea s PRO 87 Ca 0.57 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 3gea s PRO 87 Cb -0.18 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 3gea s PRO 87 CO 0.23 -0.06 1.20 -0.25 0.04 0.00 0.00 177.00 178.16 3gea n ASP 88 N -0.77 2.07 -0.71 6.66 8.00 -1.26 -3.55 116.55 126.98 3gea n ASP 88 Ca 0.07 1.00 -0.09 0.00 0.71 0.00 0.00 54.79 56.47 3gea n ASP 88 Cb 0.54 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.12 3gea n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gea n GLY 89 N 0.94 0.99 3.45 0.44 0.00 -1.26 -4.99 105.19 104.76 3gea n GLY 89 Ca 0.09 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3gea n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gea s GLU 90 N -2.58 3.03 0.09 1.61 0.41 -1.23 -5.11 118.70 114.91 3gea s GLU 90 Ca 0.00 -0.65 0.05 0.00 -0.41 0.00 0.00 54.97 53.95 3gea s GLU 90 Cb 0.00 -2.57 -0.03 0.00 -1.78 0.00 0.00 34.13 29.75 3gea s GLU 90 CO 0.00 0.41 -0.12 0.95 -0.49 0.00 0.00 175.26 176.01 3gea s THR 91 N -0.17 1.07 -1.31 3.63 -4.23 -1.26 -4.51 115.64 108.86 3gea s THR 91 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3gea s THR 91 Cb -0.13 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.48 3gea s THR 91 CO 0.03 -0.38 0.00 -0.62 -0.54 0.00 0.00 174.62 173.11 3gea n GLU 92 N 0.90 -0.92 0.00 3.99 1.02 0.03 -4.86 120.64 120.80 3gea n GLU 92 Ca -0.18 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3gea n GLU 92 Cb 0.56 -4.97 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 3gea n GLU 92 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gea n LYS 93 N -2.54 4.62 -3.63 3.49 5.02 -0.79 -4.37 118.16 119.95 3gea n LYS 93 Ca -0.13 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.90 3gea n LYS 93 Cb 0.46 -0.36 0.07 0.00 -0.02 0.00 0.00 35.03 35.19 3gea n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gea n GLY 94 N 0.66 -0.54 3.88 0.72 0.00 0.38 -4.63 105.19 105.66 3gea n GLY 94 Ca 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 3gea n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gea s LEU 95 N -7.30 4.33 0.23 0.99 1.43 -1.26 -0.77 118.68 116.32 3gea s LEU 95 Ca 0.59 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 3gea s LEU 95 Cb -0.27 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 42.95 3gea s LEU 95 CO 0.74 0.16 0.43 0.00 0.23 0.00 0.00 176.35 177.90 3gea s ALA 96 N -1.44 -0.16 0.13 4.21 0.00 -0.41 -4.14 121.76 119.94 3gea s ALA 96 Ca 0.34 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 3gea s ALA 96 Cb -0.13 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 3gea s ALA 96 CO 0.19 -0.80 0.24 1.52 0.00 0.00 0.00 175.76 176.91 3gea s TYR 97 N -4.01 0.28 0.04 0.00 -0.85 0.12 -0.24 117.35 112.69 3gea s TYR 97 Ca 0.21 -0.68 -0.06 0.00 -0.52 0.00 0.00 57.07 56.03 3gea s TYR 97 Cb 0.01 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 3gea s TYR 97 CO 0.07 -0.64 0.10 -0.59 -1.52 0.00 0.00 175.55 172.97 3gea s PHE 98 N -3.92 0.18 -0.07 -3.49 -0.12 -0.44 -1.52 117.98 108.61 3gea s PHE 98 Ca 0.12 -0.47 0.05 0.00 -0.05 0.00 0.00 56.93 56.58 3gea s PHE 98 Cb 0.04 -0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 3gea s PHE 98 CO -0.05 -0.37 -0.24 0.08 -0.05 0.00 0.00 175.22 174.59 3gea s VAL 99 N -2.54 2.10 0.07 -2.49 1.01 -1.26 -0.81 120.40 116.49 3gea s VAL 99 Ca -0.06 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3gea s VAL 99 Cb -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3gea s VAL 99 CO -0.04 0.57 0.20 -1.48 0.00 0.00 0.00 175.10 174.35 3gea s LEU 100 N -0.06 1.35 0.60 3.92 2.34 -0.04 -4.79 118.68 122.01 3gea s LEU 100 Ca -0.07 -0.54 -0.15 0.00 0.06 0.00 0.00 54.13 53.44 3gea s LEU 100 Cb -0.15 1.05 -0.03 0.00 -0.56 0.00 0.00 46.19 46.50 3gea s LEU 100 CO 0.05 -0.68 1.05 -2.16 -1.06 0.00 0.00 176.35 173.55 3gea s PRO 101 N -3.41 3.32 0.15 1.48 0.04 -1.26 -0.23 135.00 135.08 3gea s PRO 101 Ca 0.01 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.27 3gea s PRO 101 Cb 0.03 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3gea s PRO 101 CO -0.09 -0.80 -0.18 0.00 0.04 0.00 0.00 177.00 175.98 3gea s MET 102 N -4.25 1.20 0.27 4.56 0.23 -0.62 -4.50 119.30 116.20 3gea s MET 102 Ca 0.62 -1.34 0.03 0.00 -1.03 0.00 0.00 55.69 53.97 3gea s MET 102 Cb -0.15 -1.25 -0.06 0.00 -1.53 0.00 0.00 34.83 31.85 3gea s MET 102 CO 0.39 0.26 0.04 -1.59 -2.03 0.00 0.00 175.02 172.10 3gea s LYS 103 N -2.65 1.47 0.00 3.16 -2.85 0.08 -0.86 119.74 118.09 3gea s LYS 103 Ca 0.13 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 3gea s LYS 103 Cb -0.06 -0.61 0.00 0.00 -2.06 0.00 0.00 37.83 35.10 3gea s LYS 103 CO 0.06 -0.18 0.00 0.27 0.10 0.00 0.00 175.35 175.59 3gea n ASN 104 N -0.52 0.00 0.26 0.03 0.23 -0.50 -1.01 115.26 113.74 3gea n ASN 104 Ca -0.03 -0.90 0.14 0.00 -0.53 0.00 0.00 54.58 53.27 3gea n ASN 104 Cb 0.65 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.97 3gea n ASN 104 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gea h ALA 105 N 0.16 1.03 -0.00 -2.53 0.00 -1.91 -1.46 119.26 114.56 3gea h ALA 105 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gea h ALA 105 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gea h ALA 105 CO 0.00 0.12 -0.01 -0.85 0.00 0.00 0.00 179.25 178.52 3gea n GLU 106 N -3.26 0.56 -0.67 0.00 -0.00 -1.26 -4.90 120.64 111.11 3gea n GLU 106 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 3gea n GLU 106 Cb 0.34 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 3gea n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gea n GLY 107 N 1.23 0.71 3.73 -1.84 0.00 -0.55 -5.06 105.19 103.42 3gea n GLY 107 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3gea n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gea s THR 108 N -2.32 4.14 0.02 2.61 2.01 -1.26 -4.76 115.64 116.08 3gea s THR 108 Ca 0.00 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 3gea s THR 108 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 3gea s THR 108 CO 0.00 0.27 1.36 -0.75 -0.69 0.00 0.00 174.62 174.80 3gea s LYS 109 N -0.04 4.31 0.00 4.92 2.20 -1.26 -1.42 119.74 128.46 3gea s LYS 109 Ca 0.50 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 3gea s LYS 109 Cb -0.27 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 3gea s LYS 109 CO 0.32 -0.51 0.58 1.33 -0.36 0.00 0.00 175.35 176.72 3gea n VAL 110 N 4.48 0.20 -1.92 4.02 0.24 -0.04 -4.95 118.33 120.36 3gea n VAL 110 Ca 0.12 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3gea n VAL 110 Cb 0.44 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3gea n VAL 110 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gea n GLY 111 N -0.10 -0.17 3.11 7.63 0.00 -1.22 -0.57 105.19 113.87 3gea n GLY 111 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 3gea n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gea s SER 112 N -4.00 0.66 -0.07 1.61 1.04 -0.66 -1.58 113.70 110.70 3gea s SER 112 Ca 0.00 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.49 3gea s SER 112 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3gea s SER 112 CO 0.00 -0.54 -0.19 -0.69 0.98 0.00 0.00 173.24 172.80 3gea s VAL 113 N -3.68 1.61 -0.15 5.02 1.01 0.67 -0.48 120.40 124.40 3gea s VAL 113 Ca 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3gea s VAL 113 Cb 0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3gea s VAL 113 CO -0.08 0.46 -0.05 -0.75 0.00 0.00 0.00 175.10 174.68 3gea s LYS 114 N 0.34 3.64 -0.18 2.72 2.20 0.25 -0.86 119.74 127.86 3gea s LYS 114 Ca -0.13 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3gea s LYS 114 Cb -0.16 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3gea s LYS 114 CO 0.05 0.24 -0.03 0.08 -0.36 0.00 0.00 175.35 175.34 3gea s VAL 115 N 0.35 3.85 -0.11 4.02 1.01 0.01 -0.74 120.40 128.78 3gea s VAL 115 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3gea s VAL 115 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3gea s VAL 115 CO 0.03 0.46 0.32 0.20 0.00 0.00 0.00 175.10 176.11 3gea s ASN 116 N 0.69 6.55 0.29 3.32 -0.87 -0.28 -1.33 114.94 123.31 3gea s ASN 116 Ca -0.01 0.65 0.01 0.00 -1.57 0.00 0.00 52.86 51.93 3gea s ASN 116 Cb -0.14 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 38.87 3gea s ASN 116 CO 0.02 0.19 0.30 0.00 -2.57 0.00 0.00 177.10 175.04 3gea s ALA 117 N -0.12 1.26 0.04 0.60 0.00 0.67 -4.46 121.76 119.74 3gea s ALA 117 Ca 0.19 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.42 3gea s ALA 117 Cb -0.14 1.35 -0.02 0.00 0.00 0.00 0.00 23.12 24.31 3gea s ALA 117 CO 0.07 -0.69 -0.08 -1.12 0.00 0.00 0.00 175.76 173.94 3gea s SER 118 N -3.26 0.85 0.11 0.00 0.01 0.55 -1.29 113.70 110.67 3gea s SER 118 Ca 0.37 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 3gea s SER 118 Cb 0.03 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 3gea s SER 118 CO 0.20 -0.19 0.13 -0.72 0.41 0.00 0.00 173.24 173.07 3gea s TYR 119 N -1.32 0.47 0.03 2.43 -0.85 0.05 -1.04 117.35 117.12 3gea s TYR 119 Ca -0.09 -0.90 -0.27 0.00 -0.52 0.00 0.00 57.07 55.28 3gea s TYR 119 Cb -0.10 -0.24 0.07 0.00 0.38 0.00 0.00 41.96 42.07 3gea s TYR 119 CO 0.00 -0.54 0.63 0.00 -1.52 0.00 0.00 175.55 174.12 3gea s ALA 120 N -3.95 -1.64 -0.09 9.51 0.00 -0.40 -4.66 121.76 120.54 3gea s ALA 120 Ca 0.13 0.94 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3gea s ALA 120 Cb 0.06 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3gea s ALA 120 CO -0.05 -0.52 -0.17 0.20 0.00 0.00 0.00 175.76 175.22 3gea s GLY 121 N -1.80 1.06 -0.10 0.00 0.00 -1.26 -1.47 107.32 103.75 3gea s GLY 121 Ca -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3gea s GLY 121 CO 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 173.10 172.94 3gea s ALA 122 N 0.68 1.82 -0.08 3.20 0.00 -0.15 -0.73 121.76 126.50 3gea s ALA 122 Ca -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3gea s ALA 122 Cb -0.16 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.17 3gea s ALA 122 CO 0.03 0.06 -0.13 -1.17 0.00 0.00 0.00 175.76 174.55 3gea s LEU 123 N 0.74 1.62 0.01 0.00 0.20 -0.35 -0.66 118.68 120.25 3gea s LEU 123 Ca -0.11 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.40 3gea s LEU 123 Cb -0.16 -0.89 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 3gea s LEU 123 CO 0.02 0.02 0.03 -0.83 -0.29 0.00 0.00 176.35 175.30 3gea s GLY 124 N 0.81 1.93 -0.01 7.98 0.00 0.10 -0.41 107.32 117.73 3gea s GLY 124 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3gea s GLY 124 CO 0.02 -0.84 0.00 -1.60 0.00 0.00 0.00 173.10 170.68 3gea s ARG 125 N -1.75 0.06 -0.10 2.90 3.52 -0.64 -0.91 118.95 122.04 3gea s ARG 125 Ca 0.22 0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3gea s ARG 125 Cb -0.12 -0.15 0.05 0.00 -1.56 0.00 0.00 34.95 33.17 3gea s ARG 125 CO 0.13 -0.05 0.22 0.20 -0.81 0.00 0.00 175.30 175.00 3gea s GLY 126 N 0.37 -0.10 0.05 8.12 0.00 -0.68 -0.80 107.32 114.27 3gea s GLY 126 Ca -0.03 0.90 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 3gea s GLY 126 CO -0.01 1.38 0.07 0.61 0.00 0.00 0.00 173.10 175.15 3gea n GLY 127 N 4.52 -0.19 0.24 0.20 0.00 -1.26 -1.07 105.19 107.64 3gea n GLY 127 Ca -0.20 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.11 3gea n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gea n VAL 128 N -1.79 0.00 -0.11 1.61 0.24 -1.26 -4.59 118.33 112.43 3gea n VAL 128 Ca 0.01 -0.13 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 3gea n VAL 128 Cb 0.04 0.88 -0.11 0.00 -1.47 0.00 0.00 33.84 33.17 3gea n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gea n THR 129 N -0.75 1.56 -3.89 3.34 -2.24 -1.26 -4.94 114.28 106.10 3gea n THR 129 Ca 0.08 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 3gea n THR 129 Cb 0.39 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.84 3gea n THR 129 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gea s SER 130 N -7.03 6.06 0.00 3.42 0.15 -1.26 -4.98 113.70 110.06 3gea s SER 130 Ca -0.33 -0.06 0.29 0.00 0.70 0.00 0.00 55.95 56.54 3gea s SER 130 Cb 0.10 -1.62 1.28 0.00 -1.71 0.00 0.00 66.02 64.08 3gea s SER 130 CO 0.59 -0.15 1.95 0.00 1.20 0.00 0.00 173.24 176.83 3gea n ALA 131 N -1.41 2.35 -2.75 5.45 0.00 -1.26 -4.15 120.51 118.73 3gea n ALA 131 Ca -0.07 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 3gea n ALA 131 Cb 0.57 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 3gea n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gea s ASP 132 N -2.92 5.12 0.00 0.00 1.01 -1.26 -1.09 116.67 117.53 3gea s ASP 132 Ca 0.17 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.48 3gea s ASP 132 Cb 0.19 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.55 3gea s ASP 132 CO 0.51 0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.81 3gea n GLY 133 N 2.62 2.74 3.17 0.21 0.00 0.56 -4.72 105.19 109.76 3gea n GLY 133 Ca -0.18 -2.16 -0.18 0.00 0.00 0.00 0.00 46.02 43.50 3gea n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gea s GLU 134 N -1.93 0.82 -0.09 1.61 2.02 0.02 -0.18 118.70 120.97 3gea s GLU 134 Ca 0.00 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.08 3gea s GLU 134 Cb 0.00 -0.83 0.01 0.00 0.10 0.00 0.00 34.13 33.41 3gea s GLU 134 CO 0.00 0.19 -0.15 -1.17 0.02 0.00 0.00 175.26 174.14 3gea s LEU 135 N -1.68 1.75 0.05 1.80 2.96 0.10 -1.61 118.68 122.04 3gea s LEU 135 Ca -0.02 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3gea s LEU 135 Cb -0.10 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 3gea s LEU 135 CO 0.02 0.05 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.86 3gea s MET 136 N 0.75 1.31 -0.02 1.98 -1.94 0.45 -1.15 119.30 120.66 3gea s MET 136 Ca -0.12 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 52.67 3gea s MET 136 Cb -0.16 -1.44 -0.05 0.00 2.01 0.00 0.00 34.83 35.20 3gea s MET 136 CO 0.03 0.36 0.66 0.45 -0.01 0.00 0.00 175.02 176.50 3gea s SER 137 N -1.30 7.01 0.11 3.03 0.15 -1.26 -1.22 113.70 120.23 3gea s SER 137 Ca 0.07 1.21 0.03 0.00 0.70 0.00 0.00 55.95 57.95 3gea s SER 137 Cb -0.09 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3gea s SER 137 CO 0.02 0.01 0.17 -0.76 1.20 0.00 0.00 173.24 173.87 3gea s LEU 138 N 0.21 4.04 0.30 3.45 1.43 0.09 -0.57 118.68 127.64 3gea s LEU 138 Ca 0.34 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 3gea s LEU 138 Cb -0.18 -2.66 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 3gea s LEU 138 CO 0.18 0.12 -0.00 0.72 0.23 0.00 0.00 176.35 177.60 3gea s PHE 139 N -1.59 1.96 -0.23 0.29 -0.12 0.18 -4.29 117.98 114.18 3gea s PHE 139 Ca 0.32 -0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 56.33 3gea s PHE 139 Cb -0.12 -1.21 0.08 0.00 -0.63 0.00 0.00 43.02 41.15 3gea s PHE 139 CO 0.25 0.15 0.13 0.00 -0.05 0.00 0.00 175.22 175.70 3gea s ALA 140 N -3.15 0.41 -2.73 1.99 0.00 -1.09 -4.15 121.76 113.05 3gea s ALA 140 Ca 0.33 -0.59 0.25 0.00 0.00 0.00 0.00 51.96 51.94 3gea s ALA 140 Cb 0.06 -1.24 0.37 0.00 0.00 0.00 0.00 23.12 22.31 3gea s ALA 140 CO 0.13 -1.40 1.35 -0.85 0.00 0.00 0.00 175.76 175.00 3gea n GLU 141 N 5.27 1.99 -3.75 0.00 0.00 -1.26 -4.61 120.64 118.29 3gea n GLU 141 Ca -0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 57.16 55.49 3gea n GLU 141 Cb 0.46 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.42 3gea n GLU 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3gea s GLY 142 N -2.08 -0.23 0.00 -1.84 0.00 -1.26 -5.04 107.32 96.87 3gea s GLY 142 Ca 0.29 0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.34 3gea s GLY 142 CO 0.35 0.01 1.77 -1.14 0.00 0.00 0.00 173.10 174.09 3gea n SER 143 N -0.45 0.00 0.10 1.64 3.41 -1.26 -1.67 113.62 115.39 3gea n SER 143 Ca -0.06 -0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3gea n SER 143 Cb 0.61 -0.25 0.45 0.00 -0.26 0.00 0.00 64.21 64.76 3gea n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gea n HIS 144 N -1.25 0.75 -4.14 7.33 -0.00 -1.26 -4.84 115.22 111.81 3gea n HIS 144 Ca 0.12 0.25 -0.33 0.00 -0.00 0.00 0.00 57.72 57.75 3gea n HIS 144 Cb 0.17 -0.90 -0.07 0.00 -0.00 0.00 0.00 29.99 29.19 3gea n HIS 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gea s ALA 145 N -3.16 3.52 0.53 1.59 0.00 -0.67 -4.40 121.76 119.17 3gea s ALA 145 Ca 0.09 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 3gea s ALA 145 Cb 0.12 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 3gea s ALA 145 CO 0.51 0.68 1.36 0.96 0.00 0.00 0.00 175.76 179.26 3gea s ILE 146 N -1.16 2.13 -1.06 0.00 -4.36 0.05 -2.67 121.20 114.13 3gea s ILE 146 Ca 0.22 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.70 3gea s ILE 146 Cb -0.12 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.54 3gea s ILE 146 CO 0.13 0.00 0.00 0.49 0.24 0.00 0.00 174.94 175.80 3gea n PHE 147 N -0.87 -0.03 -1.68 1.37 3.72 0.19 -4.68 117.46 115.48 3gea n PHE 147 Ca 0.09 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.04 3gea n PHE 147 Cb 0.45 -1.97 -0.04 0.00 -0.94 0.00 0.00 39.48 36.98 3gea n PHE 147 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3gea n TYR 148 N -2.78 2.42 0.00 1.38 9.36 -1.09 -0.35 117.16 126.10 3gea n TYR 148 Ca -0.10 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.23 3gea n TYR 148 Cb 0.35 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.44 3gea n TYR 148 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gea n GLY 149 N 3.82 2.30 0.19 2.98 0.00 -1.26 -1.10 105.19 112.12 3gea n GLY 149 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3gea n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gea n GLY 150 N -0.50 -0.90 2.44 -0.02 0.00 0.53 -4.64 105.19 102.10 3gea n GLY 150 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3gea n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gea n LEU 151 N 0.22 1.33 -4.76 0.99 4.77 -1.20 -4.89 117.00 113.46 3gea n LEU 151 Ca 0.03 -4.87 -0.34 0.00 -0.03 0.00 0.00 56.01 50.80 3gea n LEU 151 Cb 0.12 0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3gea n LEU 151 CO 0.03 1.94 0.77 -2.16 -1.33 0.00 0.00 177.39 176.65 3gea s PRO 152 N -1.16 2.70 -0.03 3.23 0.04 -1.26 -2.68 135.00 135.84 3gea s PRO 152 Ca 0.33 1.57 0.08 0.00 0.04 0.00 0.00 61.00 63.02 3gea s PRO 152 Cb 0.08 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.85 3gea s PRO 152 CO -0.13 -1.36 1.07 0.25 0.04 0.00 0.00 177.00 176.87 3gea n THR 153 N -2.28 0.40 0.27 1.26 -2.24 -1.26 -4.77 114.28 105.66 3gea n THR 153 Ca 0.12 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.34 3gea n THR 153 Cb 0.51 0.44 0.75 0.00 -2.10 0.00 0.00 70.33 69.93 3gea n THR 153 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gea h ASN 154 N 0.23 0.00 -3.67 3.42 -1.07 -1.93 -3.34 115.58 109.23 3gea h ASN 154 Ca -0.04 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.67 3gea h ASN 154 Cb 1.41 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.44 3gea h ASN 154 CO 0.02 0.10 -0.60 -0.69 0.07 0.00 0.00 177.43 176.33 3gea s VAL 155 N -4.10 4.45 0.48 6.14 1.01 -1.26 -5.02 120.40 122.09 3gea s VAL 155 Ca -0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 3gea s VAL 155 Cb 0.12 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 3gea s VAL 155 CO 0.57 0.27 1.27 2.29 0.00 0.00 0.00 175.10 179.49 3gea n LYS 156 N 4.95 1.76 -1.96 2.72 0.00 -1.25 -2.22 118.16 122.16 3gea n LYS 156 Ca -0.15 0.64 -0.20 0.00 -0.00 0.00 0.00 58.31 58.59 3gea n LYS 156 Cb 0.51 -2.43 -0.05 0.00 -0.00 0.00 0.00 35.03 33.06 3gea n LYS 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3gea n ASN 157 N -0.29 -5.44 -0.11 -5.58 4.13 -1.26 -4.86 115.26 101.84 3gea n ASN 157 Ca 0.08 0.27 -0.09 0.00 1.68 0.00 0.00 54.58 56.52 3gea n ASN 157 Cb 0.42 -4.69 0.05 0.00 -1.54 0.00 0.00 39.78 34.02 3gea n ASN 157 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3gea h SER 158 N 0.00 0.89 -4.26 6.41 4.64 -1.67 0.12 113.55 119.68 3gea h SER 158 Ca -0.44 -0.34 -0.52 0.00 -0.47 0.00 0.00 61.79 60.03 3gea h SER 158 Cb 1.32 -0.24 0.17 0.00 -0.31 0.00 0.00 62.40 63.33 3gea h SER 158 CO 0.58 1.08 0.30 -1.83 -0.87 0.00 0.00 176.83 176.09 3gea s GLU 159 N -4.60 1.68 0.36 4.77 1.03 -1.26 -0.47 118.70 120.21 3gea s GLU 159 Ca -0.10 1.50 -0.26 0.00 0.03 0.00 0.00 54.97 56.14 3gea s GLU 159 Cb 0.13 -1.81 -0.12 0.00 -0.80 0.00 0.00 34.13 31.53 3gea s GLU 159 CO 0.85 -2.13 1.02 1.28 -1.33 0.00 0.00 175.26 174.95 3gea n LEU 160 N -3.61 2.30 -4.57 1.83 4.77 -1.26 -3.56 117.00 112.90 3gea n LEU 160 Ca 0.11 1.10 -0.34 0.00 -0.03 0.00 0.00 56.01 56.85 3gea n LEU 160 Cb 0.52 -1.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 3gea n LEU 160 CO 0.50 -1.41 -0.32 -0.54 -1.33 0.00 0.00 177.39 174.30 3gea s LYS 161 N -1.81 3.60 0.00 3.23 -0.14 -1.26 -4.76 119.74 118.60 3gea s LYS 161 Ca 0.61 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 3gea s LYS 161 Cb -0.61 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 3gea s LYS 161 CO 0.59 0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.94 3gea n GLY 162 N 3.23 2.25 0.30 -3.33 0.00 -0.10 -4.59 105.19 102.95 3gea n GLY 162 Ca -0.17 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 3gea n GLY 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gea h GLY 163 N 0.00 0.94 0.99 -0.02 0.00 -1.36 -2.92 103.07 100.70 3gea h GLY 163 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3gea h GLY 163 CO 0.00 0.53 0.29 0.23 0.00 0.00 0.00 176.54 177.59 3gea h SER 164 N 0.84 0.73 -0.60 0.19 0.87 -1.86 -0.63 113.55 113.08 3gea h SER 164 Ca 0.18 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3gea h SER 164 Cb 0.34 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3gea h SER 164 CO 0.00 0.64 -0.01 0.00 -0.53 0.00 0.00 176.83 176.94 3gea h ALA 165 N 1.12 0.81 -0.30 6.23 0.00 -1.77 0.54 119.26 125.90 3gea h ALA 165 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gea h ALA 165 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gea h ALA 165 CO -0.03 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.99 3gea h ALA 166 N 0.98 0.39 0.00 0.00 0.00 -1.27 -1.98 119.26 117.38 3gea h ALA 166 Ca 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gea h ALA 166 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gea h ALA 166 CO 0.03 -0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.88 3gea h ALA 167 N 0.95 0.98 -0.52 0.00 0.00 -0.91 -0.88 119.26 118.88 3gea h ALA 167 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3gea h ALA 167 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gea h ALA 167 CO -0.01 0.50 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3gea h ALA 168 N 1.60 1.18 -0.14 0.00 0.00 -0.67 -1.57 119.26 119.67 3gea h ALA 168 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 3gea h ALA 168 Cb 0.94 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gea h ALA 168 CO 0.05 0.55 -0.64 -0.09 0.00 0.00 0.00 179.25 179.12 3gea h ARG 169 N 0.78 0.69 -0.90 0.00 2.43 -0.73 -1.06 114.38 115.59 3gea h ARG 169 Ca 0.17 -0.55 0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3gea h ARG 169 Cb 0.34 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 3gea h ARG 169 CO 0.00 1.16 0.59 1.79 -1.51 0.00 0.00 179.97 182.01 3gea h THR 170 N 0.37 1.22 -0.37 0.20 1.35 -1.12 -2.19 112.91 112.37 3gea h THR 170 Ca -0.04 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 3gea h THR 170 Cb 1.27 -0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3gea h THR 170 CO 0.13 0.22 0.13 -0.08 -0.25 0.00 0.00 175.52 175.67 3gea h GLU 171 N 1.20 0.57 -0.72 4.72 4.81 -1.15 0.19 114.58 124.20 3gea h GLU 171 Ca 0.33 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3gea h GLU 171 Cb -0.11 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 3gea h GLU 171 CO -0.08 0.58 0.47 1.25 -0.73 0.00 0.00 179.01 180.50 3gea h LEU 172 N 0.45 0.80 -0.02 1.64 5.85 -0.60 -2.00 115.31 121.43 3gea h LEU 172 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gea h LEU 172 Cb 0.24 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gea h LEU 172 CO -0.01 0.57 -0.41 0.49 -0.34 0.00 0.00 178.44 178.74 3gea n PHE 173 N -4.44 0.00 0.00 1.25 3.72 -0.90 -4.92 117.46 112.17 3gea n PHE 173 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3gea n PHE 173 Cb 0.07 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 3gea n PHE 173 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gea n GLY 174 N 1.49 0.98 0.00 1.37 0.00 -0.75 -4.51 105.19 103.76 3gea n GLY 174 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gea n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gea n SER 175 N 0.00 0.00 -4.77 1.61 2.88 0.63 -4.98 113.62 108.99 3gea n SER 175 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 3gea n SER 175 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3gea n SER 175 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gea s LEU 176 N 0.00 4.08 0.68 2.46 1.43 -1.26 -4.08 118.68 122.00 3gea s LEU 176 Ca 0.00 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.48 3gea s LEU 176 Cb 0.00 -4.13 0.08 0.00 0.03 0.00 0.00 46.19 42.18 3gea s LEU 176 CO 0.00 -0.89 0.96 -0.94 0.23 0.00 0.00 176.35 175.71 3gea s SER 177 N -1.17 4.67 0.30 2.29 1.04 -1.26 -2.92 113.70 116.65 3gea s SER 177 Ca 0.61 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 3gea s SER 177 Cb -0.32 -0.63 0.47 0.00 0.10 0.00 0.00 66.02 65.65 3gea s SER 177 CO 0.39 -1.64 1.93 0.50 0.98 0.00 0.00 173.24 175.40 3gea h LYS 178 N -0.46 1.06 -0.39 4.02 3.64 -1.96 -1.07 116.57 121.41 3gea h LYS 178 Ca -0.41 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 3gea h LYS 178 Cb 1.29 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3gea h LYS 178 CO 0.50 0.70 -0.12 -0.91 -2.27 0.00 0.00 179.45 177.35 3gea h ASN 179 N 1.09 0.78 -0.68 4.20 2.35 -1.97 -0.77 115.58 120.57 3gea h ASN 179 Ca 0.36 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3gea h ASN 179 Cb 0.05 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3gea h ASN 179 CO -0.11 0.97 0.43 0.44 -1.65 0.00 0.00 177.43 177.51 3gea h ASP 180 N 0.57 0.72 -0.17 5.81 3.32 -1.80 0.59 116.42 125.46 3gea h ASP 180 Ca 0.10 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3gea h ASP 180 Cb 0.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3gea h ASP 180 CO 0.04 0.51 -0.02 0.40 -1.72 0.00 0.00 179.24 178.46 3gea h ILE 181 N 0.86 1.27 -0.70 0.35 2.04 -1.05 -1.03 117.51 119.25 3gea h ILE 181 Ca 0.27 -0.91 0.10 0.00 1.00 0.00 0.00 64.86 65.32 3gea h ILE 181 Cb -0.02 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3gea h ILE 181 CO -0.09 0.27 0.32 0.25 0.00 0.00 0.00 178.15 178.91 3gea h LEU 182 N 0.04 0.39 -0.82 1.44 5.85 -0.98 -2.13 115.31 119.11 3gea h LEU 182 Ca 0.05 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gea h LEU 182 Cb 0.42 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3gea h LEU 182 CO 0.01 0.22 0.50 1.23 -0.34 0.00 0.00 178.44 180.05 3gea h GLY 183 N 0.54 1.19 1.32 3.75 0.00 -0.44 0.26 103.07 109.69 3gea h GLY 183 Ca 0.35 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3gea h GLY 183 CO -0.29 0.48 0.00 1.46 0.00 0.00 0.00 176.54 178.19 3gea h GLN 184 N 1.12 0.82 -0.24 4.80 4.20 -0.74 -2.37 115.11 122.71 3gea h GLN 184 Ca 0.29 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3gea h GLN 184 Cb -0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3gea h GLN 184 CO -0.06 0.83 -0.17 0.82 -0.67 0.00 0.00 178.83 179.58 3gea h ILE 185 N 0.77 1.31 0.00 2.54 2.04 -0.74 -2.92 117.51 120.50 3gea h ILE 185 Ca 0.15 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3gea h ILE 185 Cb 0.46 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3gea h ILE 185 CO 0.02 0.40 0.00 0.06 0.00 0.00 0.00 178.15 178.63 3gea h GLN 186 N 0.25 0.00 0.00 2.37 3.07 -0.88 0.63 115.11 120.55 3gea h GLN 186 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.75 3gea h GLN 186 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 3gea h GLN 186 CO 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 178.83 178.80 3gea h ARG 187 N 0.00 0.00 0.00 0.06 2.47 -1.22 -3.28 114.38 112.41 3gea h ARG 187 Ca 0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 3gea h ARG 187 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3gea h ARG 187 CO 0.00 0.17 -1.29 1.55 0.56 0.00 0.00 179.97 180.96 3gea n VAL 188 N -3.71 1.49 -3.48 2.04 3.14 -0.23 -4.82 118.33 112.76 3gea n VAL 188 Ca -0.02 0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 3gea n VAL 188 Cb 0.28 -2.20 -0.08 0.00 -1.06 0.00 0.00 33.84 30.79 3gea n VAL 188 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3gea s ASN 189 N -6.40 5.87 0.20 6.55 0.01 0.05 -4.96 114.94 116.26 3gea s ASN 189 Ca -0.28 -1.68 0.25 0.00 -0.71 0.00 0.00 52.86 50.44 3gea s ASN 189 Cb 0.06 -2.08 0.90 0.00 0.41 0.00 0.00 41.25 40.54 3gea s ASN 189 CO 0.42 -0.68 1.75 0.00 -1.51 0.00 0.00 177.10 177.08 3gea n ALA 190 N 5.04 2.04 0.22 0.60 0.00 -1.23 -2.61 120.51 124.56 3gea n ALA 190 Ca -0.11 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.40 3gea n ALA 190 Cb 0.42 -1.43 0.50 0.00 0.00 0.00 0.00 19.45 18.93 3gea n ALA 190 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3gea h ASN 191 N 0.00 0.00 -3.08 0.00 -1.07 -1.88 -3.43 115.58 106.12 3gea h ASN 191 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 3gea h ASN 191 Cb 0.57 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.77 3gea h ASN 191 CO 0.00 0.23 0.98 -0.63 0.07 0.00 0.00 177.43 178.07 3gea s ILE 192 N -4.44 4.12 -0.62 6.14 1.09 -1.07 -4.23 121.20 122.18 3gea s ILE 192 Ca -0.03 1.27 0.11 0.00 -1.10 0.00 0.00 60.65 60.90 3gea s ILE 192 Cb 0.15 -4.10 -0.10 0.00 -1.06 0.00 0.00 42.46 37.35 3gea s ILE 192 CO 0.69 -0.42 0.51 0.35 -0.10 0.00 0.00 174.94 175.97 3gea n THR 193 N 6.13 0.00 -3.74 2.92 -2.24 -0.25 -4.71 114.28 112.40 3gea n THR 193 Ca 0.15 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3gea n THR 193 Cb 0.46 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3gea n THR 193 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gea s SER 194 N -1.96 -0.29 -0.15 3.42 1.04 -1.21 -5.08 113.70 109.47 3gea s SER 194 Ca 0.05 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3gea s SER 194 Cb 0.09 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3gea s SER 194 CO 0.43 -1.10 -0.18 -0.76 0.98 0.00 0.00 173.24 172.61 3gea s LEU 195 N -2.87 2.34 0.12 2.42 1.43 -1.26 -0.33 118.68 120.53 3gea s LEU 195 Ca 0.09 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 3gea s LEU 195 Cb -0.03 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 3gea s LEU 195 CO 0.01 0.08 1.28 -0.69 0.23 0.00 0.00 176.35 177.26 3gea s VAL 196 N 0.82 3.61 -0.46 -1.59 1.01 0.74 -4.74 120.40 119.79 3gea s VAL 196 Ca -0.06 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 3gea s VAL 196 Cb -0.15 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3gea s VAL 196 CO -0.01 0.12 1.63 0.20 0.00 0.00 0.00 175.10 177.04 3gea s ASN 197 N 0.82 5.92 -0.11 3.32 0.01 -1.26 0.02 114.94 123.65 3gea s ASN 197 Ca 0.59 0.74 -0.28 0.00 -0.71 0.00 0.00 52.86 53.21 3gea s ASN 197 Cb -0.33 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 38.78 3gea s ASN 197 CO 0.32 -1.79 0.94 -0.69 -1.51 0.00 0.00 177.10 174.38 3gea s VAL 198 N 6.81 4.83 0.71 1.60 1.01 -0.30 -4.78 120.40 130.28 3gea s VAL 198 Ca 0.66 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 64.41 3gea s VAL 198 Cb -0.15 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.00 3gea s VAL 198 CO 0.29 0.04 1.12 -2.84 0.00 0.00 0.00 175.10 173.70 3gea s PRO 199 N 1.91 2.48 1.79 2.72 0.02 -1.26 -1.73 135.00 140.92 3gea s PRO 199 Ca 0.45 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.85 3gea s PRO 199 Cb -0.18 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3gea s PRO 199 CO 0.17 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 3gea n GLY 200 N -0.58 -1.08 3.27 0.52 0.00 -1.26 -4.72 105.19 101.33 3gea n GLY 200 Ca 0.10 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3gea n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gea s SER 201 N -4.00 0.03 0.18 1.61 1.04 -1.26 -0.92 113.70 110.37 3gea s SER 201 Ca 0.00 -0.64 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 3gea s SER 201 Cb 0.00 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3gea s SER 201 CO 0.00 -0.80 0.33 -0.36 0.98 0.00 0.00 173.24 173.39 3gea s PHE 202 N -3.88 0.34 0.58 5.02 0.08 0.27 -4.95 117.98 115.44 3gea s PHE 202 Ca 0.08 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 56.51 3gea s PHE 202 Cb 0.04 0.02 0.08 0.00 -0.57 0.00 0.00 43.02 42.58 3gea s PHE 202 CO -0.08 -0.77 0.66 0.54 -0.10 0.00 0.00 175.22 175.47 3gea s ASN 203 N -2.96 4.88 -0.14 1.36 2.20 -1.26 -0.65 114.94 118.37 3gea s ASN 203 Ca 0.17 -1.04 -0.08 0.00 -0.94 0.00 0.00 52.86 50.97 3gea s ASN 203 Cb 0.02 0.44 0.05 0.00 -2.00 0.00 0.00 41.25 39.76 3gea s ASN 203 CO 0.01 -1.30 0.33 -0.70 -2.94 0.00 0.00 177.10 172.49 3gea s GLU 204 N -4.55 0.31 0.00 3.55 2.56 -1.26 -4.97 118.70 114.34 3gea s GLU 204 Ca 0.51 0.64 0.13 0.00 0.00 0.00 0.00 54.97 56.25 3gea s GLU 204 Cb -0.04 -0.05 0.20 0.00 2.00 0.00 0.00 34.13 36.24 3gea s GLU 204 CO 0.32 -0.15 1.06 0.27 -0.56 0.00 0.00 175.26 176.20 3gea n ASN 205 N 4.11 2.46 -1.46 -1.70 6.94 -1.26 -0.77 115.26 123.57 3gea n ASN 205 Ca -0.23 -1.71 -0.13 0.00 -0.02 0.00 0.00 54.58 52.48 3gea n ASN 205 Cb 0.54 -0.10 -0.01 0.00 -2.36 0.00 0.00 39.78 37.85 3gea n ASN 205 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3gea n MET 206 N 0.70 -1.04 -3.76 -3.83 2.81 -1.26 -4.91 117.12 105.83 3gea n MET 206 Ca 0.10 0.66 -0.37 0.00 -1.81 0.00 0.00 57.70 56.28 3gea n MET 206 Cb 0.37 -4.88 -0.12 0.00 -0.71 0.00 0.00 33.22 27.88 3gea n MET 206 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gea s ALA 207 N -2.64 3.06 -0.01 3.04 0.00 -1.26 -5.04 121.76 118.91 3gea s ALA 207 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 3gea s ALA 207 Cb 0.00 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.83 3gea s ALA 207 CO 0.00 -1.46 0.00 0.71 0.00 0.00 0.00 175.76 175.02 3gea s TYR 208 N 1.34 0.04 0.00 0.00 1.51 -1.26 -5.03 117.35 113.94 3gea s TYR 208 Ca 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 3gea s TYR 208 Cb -0.21 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 3gea s TYR 208 CO 0.01 -0.02 0.59 0.25 -1.11 0.00 0.00 175.55 175.27 3gea n THR 209 N 3.34 0.32 -0.55 -0.71 -2.24 -1.26 -4.75 114.28 108.43 3gea n THR 209 Ca -0.16 -0.37 0.10 0.00 -2.27 0.00 0.00 64.05 61.36 3gea n THR 209 Cb 0.57 0.97 0.36 0.00 -2.10 0.00 0.00 70.33 70.13 3gea n THR 209 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gea n ASP 210 N -0.16 4.61 0.00 3.42 5.75 -1.26 -4.91 116.55 123.99 3gea n ASP 210 Ca 0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 3gea n ASP 210 Cb 0.34 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3gea n ASP 210 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gea n GLY 211 N 1.29 0.73 3.74 6.12 0.00 -1.26 -4.55 105.19 111.26 3gea n GLY 211 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 3gea n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gea s SER 212 N -2.98 4.95 0.23 1.61 0.01 -1.26 -4.41 113.70 111.84 3gea s SER 212 Ca 0.00 2.62 0.09 0.00 1.31 0.00 0.00 55.95 59.97 3gea s SER 212 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 3gea s SER 212 CO 0.00 -1.77 -0.17 0.68 0.41 0.00 0.00 173.24 172.39 3gea s VAL 213 N -1.40 2.02 0.08 3.43 -7.23 -0.23 -4.95 120.40 112.11 3gea s VAL 213 Ca 0.78 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 3gea s VAL 213 Cb -0.37 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3gea s VAL 213 CO 0.41 -0.49 -0.15 0.68 -0.31 0.00 0.00 175.10 175.24 3gea s VAL 214 N -2.69 1.18 -0.04 1.32 -7.23 -1.00 -1.69 120.40 110.24 3gea s VAL 214 Ca 0.24 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3gea s VAL 214 Cb -0.03 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.78 3gea s VAL 214 CO 0.10 -0.21 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.00 3gea s SER 215 N -1.78 1.64 0.01 4.85 0.15 -0.08 -1.71 113.70 116.78 3gea s SER 215 Ca -0.01 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 3gea s SER 215 Cb -0.10 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.64 3gea s SER 215 CO 0.02 0.08 -0.03 -0.69 1.20 0.00 0.00 173.24 173.82 3gea s VAL 216 N 0.32 0.15 0.08 4.45 1.01 -1.26 -0.72 120.40 124.43 3gea s VAL 216 Ca -0.07 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3gea s VAL 216 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3gea s VAL 216 CO 0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 175.10 174.69 3gea s ALA 217 N -0.88 1.26 0.01 5.51 0.00 0.17 -1.70 121.76 126.14 3gea s ALA 217 Ca -0.09 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3gea s ALA 217 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3gea s ALA 217 CO -0.00 0.19 -0.19 -0.47 0.00 0.00 0.00 175.76 175.29 3gea s TYR 218 N -1.26 1.68 -0.06 0.00 5.04 0.24 -0.98 117.35 122.00 3gea s TYR 218 Ca -0.01 -0.34 -0.05 0.00 -2.44 0.00 0.00 57.07 54.23 3gea s TYR 218 Cb -0.10 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.19 3gea s TYR 218 CO 0.03 0.03 0.16 0.00 -1.34 0.00 0.00 175.55 174.42 3gea s ALA 219 N -0.63 -0.38 -0.07 3.97 0.00 -0.54 -1.23 121.76 122.88 3gea s ALA 219 Ca 0.07 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3gea s ALA 219 Cb -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gea s ALA 219 CO 0.01 -0.10 -0.09 -1.17 0.00 0.00 0.00 175.76 174.41 3gea s LEU 220 N 0.35 1.44 0.36 0.00 2.96 -0.02 -1.27 118.68 122.49 3gea s LEU 220 Ca -0.02 -0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 53.49 3gea s LEU 220 Cb -0.03 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 45.95 3gea s LEU 220 CO -0.01 -0.03 0.71 -0.83 -1.32 0.00 0.00 176.35 174.86 3gea s GLY 221 N 1.00 0.52 -0.38 7.98 0.00 -0.21 -0.53 107.32 115.70 3gea s GLY 221 Ca -0.09 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.66 3gea s GLY 221 CO -0.00 -0.42 0.27 -0.42 0.00 0.00 0.00 173.10 172.53 3gea s ILE 222 N -2.77 5.23 0.71 0.90 1.01 0.67 -0.33 121.20 126.62 3gea s ILE 222 Ca 0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3gea s ILE 222 Cb -0.04 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3gea s ILE 222 CO 0.12 -0.18 1.07 0.00 0.00 0.00 0.00 174.94 175.95 3gea s ALA 223 N 1.69 2.56 -0.05 9.38 0.00 -1.26 -1.05 121.76 133.03 3gea s ALA 223 Ca 0.05 0.18 -0.37 0.00 0.00 0.00 0.00 51.96 51.81 3gea s ALA 223 Cb -0.18 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3gea s ALA 223 CO 0.10 -1.35 1.55 -1.71 0.00 0.00 0.00 175.76 174.36 3gea n ASN 224 N -3.13 2.20 0.00 0.00 5.15 -0.85 -1.01 115.26 117.62 3gea n ASN 224 Ca 0.08 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3gea n ASN 224 Cb 0.53 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 3gea n ASN 224 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gea n GLY 225 N 3.36 2.50 3.80 8.20 0.00 0.45 -4.93 105.19 118.55 3gea n GLY 225 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3gea n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gea s GLN 226 N -0.81 3.20 0.20 1.61 -0.21 -0.18 -4.69 119.66 118.78 3gea s GLN 226 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 55.36 56.66 3gea s GLN 226 Cb 0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 3gea s GLN 226 CO 0.00 -0.91 0.03 0.95 -2.12 0.00 0.00 175.29 173.24 3gea s THR 227 N -2.50 3.80 -0.16 -0.19 -4.23 -1.26 -1.58 115.64 109.53 3gea s THR 227 Ca 0.63 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3gea s THR 227 Cb -0.16 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 3gea s THR 227 CO 0.39 -0.19 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.54 3gea s ILE 228 N -1.90 3.07 -0.21 2.99 1.01 0.14 -1.13 121.20 125.17 3gea s ILE 228 Ca 0.29 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3gea s ILE 228 Cb -0.09 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.10 3gea s ILE 228 CO 0.20 0.50 -0.16 -1.61 0.00 0.00 0.00 174.94 173.87 3gea s GLU 229 N 0.76 2.70 -0.25 2.79 2.02 0.08 -0.49 118.70 126.31 3gea s GLU 229 Ca -0.05 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 53.82 3gea s GLU 229 Cb -0.15 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 3gea s GLU 229 CO 0.01 -0.36 0.14 0.00 0.02 0.00 0.00 175.26 175.07 3gea s ALA 230 N 1.22 3.45 -0.23 5.21 0.00 0.91 -0.59 121.76 131.74 3gea s ALA 230 Ca -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3gea s ALA 230 Cb -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3gea s ALA 230 CO -0.09 -0.33 -0.04 0.99 0.00 0.00 0.00 175.76 176.29 3gea s THR 231 N 1.32 3.28 0.10 0.00 2.01 0.37 -0.16 115.64 122.56 3gea s THR 231 Ca 0.06 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 3gea s THR 231 Cb -0.15 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 3gea s THR 231 CO 0.06 0.34 0.61 -0.36 -0.69 0.00 0.00 174.62 174.57 3gea s PHE 232 N 1.44 3.80 0.32 4.92 0.08 0.58 -1.65 117.98 127.46 3gea s PHE 232 Ca 0.04 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.41 3gea s PHE 232 Cb -0.15 -2.53 0.52 0.00 -0.57 0.00 0.00 43.02 40.28 3gea s PHE 232 CO -0.03 0.55 1.94 -0.91 -0.10 0.00 0.00 175.22 176.67 3gea h ASN 233 N 4.36 0.79 -3.12 1.36 2.35 -1.16 -3.44 115.58 116.71 3gea h ASN 233 Ca -0.49 -0.06 -0.46 0.00 -0.55 0.00 0.00 56.30 54.73 3gea h ASN 233 Cb 1.21 -0.20 -0.14 0.00 0.05 0.00 0.00 38.32 39.24 3gea h ASN 233 CO 0.64 0.64 -0.71 -1.10 -1.65 0.00 0.00 177.43 175.25 3gea s GLN 234 N -5.59 1.41 0.37 0.81 1.11 -1.26 -5.11 119.66 111.39 3gea s GLN 234 Ca -0.10 -1.66 -0.28 0.00 0.01 0.00 0.00 55.36 53.33 3gea s GLN 234 Cb 0.17 -1.13 -0.11 0.00 -1.01 0.00 0.00 33.01 30.93 3gea s GLN 234 CO 0.78 0.13 1.48 0.00 0.01 0.00 0.00 175.29 177.69 3gea n ALA 235 N -0.45 2.29 -2.69 6.09 0.00 -1.26 -4.77 120.51 119.71 3gea n ALA 235 Ca -0.07 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 3gea n ALA 235 Cb 0.61 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 3gea n ALA 235 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gea s VAL 236 N -1.00 4.99 0.00 0.00 1.01 -0.16 -4.90 120.40 120.34 3gea s VAL 236 Ca 0.55 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3gea s VAL 236 Cb -0.49 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 31.82 3gea s VAL 236 CO 0.62 0.16 0.70 0.35 0.00 0.00 0.00 175.10 176.93 3gea n THR 237 N 4.19 0.43 -3.93 3.92 -2.24 -1.26 -4.92 114.28 110.48 3gea n THR 237 Ca 0.01 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 3gea n THR 237 Cb 0.50 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 3gea n THR 237 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gea s THR 238 N -0.43 0.12 0.42 4.28 -4.23 -1.26 -5.13 115.64 109.40 3gea s THR 238 Ca 0.00 -1.35 -0.26 0.00 -1.18 0.00 0.00 61.69 58.90 3gea s THR 238 Cb 0.00 -1.59 -0.10 0.00 1.34 0.00 0.00 72.50 72.16 3gea s THR 238 CO 0.00 -0.53 1.38 -1.20 -0.54 0.00 0.00 174.62 173.73 3gea n SER 239 N -0.11 3.10 -3.75 3.99 7.64 -1.26 -4.93 113.62 118.30 3gea n SER 239 Ca -0.11 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.78 3gea n SER 239 Cb 0.63 -1.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 3gea n SER 239 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3gea s THR 240 N -1.17 0.06 0.34 0.44 -1.32 0.02 -5.00 115.64 109.02 3gea s THR 240 Ca 0.59 -0.52 -0.07 0.00 -1.21 0.00 0.00 61.69 60.48 3gea s THR 240 Cb -0.49 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 69.73 3gea s THR 240 CO 0.59 -0.29 0.64 -1.10 -2.21 0.00 0.00 174.62 172.26 3gea s GLN 241 N -1.68 3.67 -0.00 7.08 -1.52 -1.26 -0.08 119.66 125.87 3gea s GLN 241 Ca -0.11 0.17 0.03 0.00 -1.95 0.00 0.00 55.36 53.49 3gea s GLN 241 Cb -0.04 -2.54 -0.01 0.00 -0.22 0.00 0.00 33.01 30.20 3gea s GLN 241 CO 0.02 0.10 -0.09 1.67 -0.25 0.00 0.00 175.29 176.74 3gea s TRP 242 N -2.23 0.79 -0.08 0.91 1.48 -0.27 -4.26 118.94 115.27 3gea s TRP 242 Ca 0.47 -0.16 -0.04 0.00 -1.06 0.00 0.00 56.10 55.30 3gea s TRP 242 Cb -0.10 -0.50 0.04 0.00 -1.16 0.00 0.00 33.47 31.74 3gea s TRP 242 CO 0.31 -0.01 0.19 0.45 -4.06 0.00 0.00 176.95 173.83 3gea s SER 243 N -0.27 -0.18 -0.55 -2.66 0.15 -0.18 -1.58 113.70 108.42 3gea s SER 243 Ca 0.03 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.12 3gea s SER 243 Cb -0.04 0.29 0.16 0.00 -1.71 0.00 0.00 66.02 64.72 3gea s SER 243 CO -0.00 -0.16 0.38 0.00 1.20 0.00 0.00 173.24 174.66 3gea s ALA 244 N 1.22 2.74 0.37 5.45 0.00 0.11 -0.74 121.76 130.91 3gea s ALA 244 Ca -0.09 -3.15 -0.28 0.00 0.00 0.00 0.00 51.96 48.44 3gea s ALA 244 Cb -0.11 -1.94 -0.11 0.00 0.00 0.00 0.00 23.12 20.96 3gea s ALA 244 CO -0.07 -2.05 1.43 -2.14 0.00 0.00 0.00 175.76 172.93 3gea s PRO 245 N -0.58 4.14 -0.20 0.00 0.02 -1.26 -3.50 135.00 133.63 3gea s PRO 245 Ca 0.25 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.72 3gea s PRO 245 Cb -0.07 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.48 3gea s PRO 245 CO -0.13 -0.46 -0.13 -1.17 -0.33 0.00 0.00 177.00 174.77 3gea s LEU 246 N -2.06 2.45 -0.13 -5.54 2.96 -0.18 -3.86 118.68 112.31 3gea s LEU 246 Ca 0.52 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3gea s LEU 246 Cb -0.44 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3gea s LEU 246 CO 0.60 -0.01 0.10 0.20 -1.32 0.00 0.00 176.35 175.92 3gea s ASN 247 N 1.36 6.02 -0.08 3.68 -0.87 0.03 -0.36 114.94 124.71 3gea s ASN 247 Ca 0.05 0.33 0.03 0.00 -1.57 0.00 0.00 52.86 51.70 3gea s ASN 247 Cb -0.14 -1.93 -0.01 0.00 -0.02 0.00 0.00 41.25 39.15 3gea s ASN 247 CO -0.09 0.35 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.92 3gea s VAL 248 N -0.69 2.65 -0.10 1.60 1.01 0.56 -1.47 120.40 123.96 3gea s VAL 248 Ca 0.12 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3gea s VAL 248 Cb -0.12 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.24 3gea s VAL 248 CO 0.03 0.56 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 3gea s ALA 249 N -0.08 1.32 -0.15 5.51 0.00 -0.22 -1.44 121.76 126.71 3gea s ALA 249 Ca -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3gea s ALA 249 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3gea s ALA 249 CO 0.04 -0.23 -0.00 0.42 0.00 0.00 0.00 175.76 175.99 3gea s ILE 250 N 1.34 4.22 -0.07 0.00 -1.09 0.92 -0.66 121.20 125.86 3gea s ILE 250 Ca -0.02 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3gea s ILE 250 Cb -0.14 -2.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3gea s ILE 250 CO -0.04 0.50 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.06 3gea s THR 251 N 0.15 1.87 0.05 2.92 2.01 -0.43 -0.88 115.64 121.33 3gea s THR 251 Ca 0.01 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3gea s THR 251 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3gea s THR 251 CO 0.02 0.52 0.14 -0.31 -0.69 0.00 0.00 174.62 174.30 3gea s TYR 252 N 0.12 3.38 0.06 4.92 2.02 -0.20 -0.86 117.35 126.79 3gea s TYR 252 Ca -0.10 0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 3gea s TYR 252 Cb -0.15 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3gea s TYR 252 CO 0.05 0.57 -0.16 0.71 -1.57 0.00 0.00 175.55 175.15 3gea s TYR 253 N -1.40 1.38 -0.18 2.71 2.02 -0.41 -0.50 117.35 120.97 3gea s TYR 253 Ca 0.30 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.39 3gea s TYR 253 Cb -0.13 -0.79 -0.22 0.00 -0.40 0.00 0.00 41.96 40.43 3gea s TYR 253 CO 0.23 0.08 0.34 0.38 -1.57 0.00 0.00 175.55 175.01 3gea h ASP 254 N 4.53 0.08 0.00 2.29 3.04 -1.87 0.19 116.42 124.68 3gea h ASP 254 Ca -0.41 -0.65 0.00 0.00 -3.24 0.00 0.00 57.03 52.73 3gea h ASP 254 Cb 1.18 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 3gea h ASP 254 CO 0.42 1.47 0.00 0.00 -2.04 0.00 0.00 179.24 179.09 3gea n GLN 257 N -4.32 0.00 -1.91 4.15 0.00 -1.26 -4.87 117.38 109.18 3gea n GLN 257 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.30 3gea n GLN 257 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.93 3gea n GLN 257 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3gea s MET 258 N 0.00 4.20 0.00 2.61 -2.45 -1.26 -4.92 119.30 117.48 3gea s MET 258 Ca 0.00 2.42 0.00 0.00 -1.25 0.00 0.00 55.69 56.86 3gea s MET 258 Cb 0.00 -3.08 0.00 0.00 1.25 0.00 0.00 34.83 33.00 3gea s MET 258 CO 0.00 -0.53 0.23 0.25 1.05 0.00 0.00 175.02 176.02 3gea n THR 259 N 2.53 0.00 0.00 10.11 -2.24 0.35 -4.95 114.28 120.08 3gea n THR 259 Ca 0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3gea n THR 259 Cb 0.39 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3gea n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gea n GLY 260 N 0.13 -0.32 3.83 3.38 0.00 -1.24 -0.88 105.19 110.09 3gea n GLY 260 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 3gea n GLY 260 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gea s ASP 261 N 0.00 -0.09 -0.09 1.61 -4.77 -1.26 -1.03 116.67 111.03 3gea s ASP 261 Ca 0.00 -0.89 -0.07 0.00 -3.30 0.00 0.00 52.55 48.29 3gea s ASP 261 Cb 0.00 0.76 0.03 0.00 -1.09 0.00 0.00 42.92 42.62 3gea s ASP 261 CO 0.00 -1.47 0.23 0.12 0.70 0.00 0.00 175.17 174.75 3gea s PHE 262 N -2.86 -0.27 -0.01 2.11 5.36 -0.06 0.33 117.98 122.58 3gea s PHE 262 Ca 0.14 0.66 0.04 0.00 -0.96 0.00 0.00 56.93 56.81 3gea s PHE 262 Cb -0.05 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 3gea s PHE 262 CO 0.09 -0.16 -0.12 -0.80 -1.46 0.00 0.00 175.22 172.78 3gea s ASN 263 N 0.48 1.36 0.31 6.13 0.01 -1.26 -0.06 114.94 121.91 3gea s ASN 263 Ca -0.03 -0.22 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 3gea s ASN 263 Cb -0.04 -0.15 0.01 0.00 0.41 0.00 0.00 41.25 41.48 3gea s ASN 263 CO -0.02 0.13 0.45 0.61 -1.51 0.00 0.00 177.10 176.76 3gea n GLY 264 N 2.74 2.14 3.28 0.66 0.00 -0.52 -5.00 105.19 108.48 3gea n GLY 264 Ca -0.14 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3gea n GLY 264 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gea s SER 265 N -2.91 -0.09 -0.09 1.61 1.04 -1.26 -0.32 113.70 111.68 3gea s SER 265 Ca 0.25 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3gea s SER 265 Cb -0.01 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3gea s SER 265 CO 0.18 -0.81 -0.08 -0.69 0.98 0.00 0.00 173.24 172.82 3gea s VAL 266 N -3.83 0.95 -0.01 5.02 1.01 0.51 -4.85 120.40 119.19 3gea s VAL 266 Ca 0.04 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3gea s VAL 266 Cb 0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3gea s VAL 266 CO -0.11 0.34 0.52 -1.81 0.00 0.00 0.00 175.10 174.04 3gea s ASP 267 N 1.42 6.89 -0.10 3.32 1.01 -1.26 -1.02 116.67 126.93 3gea s ASP 267 Ca -0.01 1.06 0.02 0.00 0.71 0.00 0.00 52.55 54.33 3gea s ASP 267 Cb -0.13 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3gea s ASP 267 CO -0.04 0.17 -0.16 -0.63 0.21 0.00 0.00 175.17 174.72 3gea s ILE 268 N -0.43 1.53 -4.95 0.77 1.01 -1.23 -3.55 121.20 114.35 3gea s ILE 268 Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3gea s ILE 268 Cb -0.17 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3gea s ILE 268 CO 0.15 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.15 3gea n GLY 269 N 4.05 -1.06 0.00 6.18 0.00 -0.41 0.04 105.19 113.99 3gea n GLY 269 Ca -0.20 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3gea n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gea n GLY 270 N 0.00 -0.65 3.29 -0.02 0.00 -0.62 -2.31 105.19 104.88 3gea n GLY 270 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3gea n GLY 270 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gea s SER 271 N -4.00 2.67 -0.11 1.61 0.01 0.47 -1.12 113.70 113.24 3gea s SER 271 Ca 0.00 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.64 3gea s SER 271 Cb 0.00 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.06 3gea s SER 271 CO 0.00 0.13 -0.14 -0.63 0.41 0.00 0.00 173.24 173.01 3gea s ILE 272 N -0.99 1.42 -2.59 1.44 1.01 0.89 -0.99 121.20 121.40 3gea s ILE 272 Ca 0.08 -0.59 0.21 0.00 0.00 0.00 0.00 60.65 60.35 3gea s ILE 272 Cb -0.10 -1.32 0.16 0.00 0.01 0.00 0.00 42.46 41.22 3gea s ILE 272 CO 0.03 0.43 1.15 0.41 0.00 0.00 0.00 174.94 176.97