#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxa n LYS 3 N 0.00 1.98 -2.74 0.00 5.02 -1.26 -4.54 118.16 116.61 3dxa n LYS 3 Ca 0.00 -2.02 -0.05 0.00 -2.02 0.00 0.00 58.31 54.22 3dxa n LYS 3 Cb 0.00 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.24 3dxa n LYS 3 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dxa n THR 4 N -0.18 0.00 -3.01 -0.18 -2.24 -1.25 -4.35 114.28 103.06 3dxa n THR 4 Ca 0.39 -1.06 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 3dxa n THR 4 Cb 0.80 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 70.09 3dxa n THR 4 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dxa s THR 5 N 0.79 4.89 0.14 4.28 -4.23 -0.84 -4.93 115.64 115.75 3dxa s THR 5 Ca 0.30 1.22 0.09 0.00 -1.18 0.00 0.00 61.69 62.12 3dxa s THR 5 Cb 0.09 -4.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3dxa s THR 5 CO -0.12 -0.09 -0.20 -1.10 -0.54 0.00 0.00 174.62 172.57 3dxa s GLN 6 N 2.72 1.24 -0.06 3.99 -0.21 -1.26 -1.15 119.66 124.92 3dxa s GLN 6 Ca 0.30 -1.32 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 3dxa s GLN 6 Cb -0.15 -1.41 -0.04 0.00 1.00 0.00 0.00 33.01 32.41 3dxa s GLN 6 CO 0.10 0.31 1.41 -2.14 -2.12 0.00 0.00 175.29 172.85 3dxa s PRO 8 N -2.41 4.25 0.56 2.91 0.02 -1.26 -4.88 135.00 134.19 3dxa s PRO 8 Ca 0.12 1.92 0.29 0.00 0.02 0.00 0.00 61.00 63.35 3dxa s PRO 8 Cb -0.08 -3.73 1.47 0.00 0.02 0.00 0.00 34.50 32.18 3dxa s PRO 8 CO 0.06 -0.67 1.93 1.79 -0.33 0.00 0.00 177.00 179.77 3dxa h THR 9 N 5.24 0.51 -1.98 0.99 1.35 -1.99 -3.35 112.91 113.69 3dxa h THR 9 Ca -0.35 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3dxa h THR 9 Cb 1.16 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3dxa h THR 9 CO 0.93 0.00 0.09 -1.54 -0.25 0.00 0.00 175.52 174.76 3dxa n SER 10 N -4.03 -0.42 0.00 5.36 3.41 -1.26 -3.10 113.62 113.57 3dxa n SER 10 Ca 0.11 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 3dxa n SER 10 Cb 0.73 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 3dxa n SER 10 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3dxa n MET 11 N -0.13 0.00 -4.24 4.33 0.00 -1.21 -4.87 117.12 111.00 3dxa n MET 11 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.44 3dxa n MET 11 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.26 3dxa n MET 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3dxa s ASP 12 N 0.00 4.31 0.15 6.12 1.01 -1.26 -2.22 116.67 124.78 3dxa s ASP 12 Ca 0.00 -1.08 -0.24 0.00 0.71 0.00 0.00 52.55 51.94 3dxa s ASP 12 Cb 0.00 -0.50 0.07 0.00 1.01 0.00 0.00 42.92 43.50 3dxa s ASP 12 CO 0.00 -0.44 0.72 0.00 0.21 0.00 0.00 175.17 175.66 3dxa s ALA 14 N -3.61 2.99 -0.16 0.00 0.00 -1.26 -1.78 121.76 117.95 3dxa s ALA 14 Ca 0.05 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3dxa s ALA 14 Cb -0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3dxa s ALA 14 CO -0.06 0.41 1.69 -2.00 0.00 0.00 0.00 175.76 175.80 3dxa s GLU 15 N -0.28 3.88 -0.46 0.00 2.12 -0.93 -3.54 118.70 119.50 3dxa s GLU 15 Ca 0.04 1.90 0.05 0.00 0.36 0.00 0.00 54.97 57.32 3dxa s GLU 15 Cb -0.13 -4.05 0.27 0.00 0.26 0.00 0.00 34.13 30.48 3dxa s GLU 15 CO 0.02 -1.21 1.00 0.41 -0.54 0.00 0.00 175.26 174.95 3dxa n GLY 16 N 4.58 -0.12 0.00 -1.50 0.00 -1.26 -4.48 105.19 102.41 3dxa n GLY 16 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3dxa n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dxa n ARG 17 N 1.29 0.00 0.00 1.61 1.85 -1.23 -4.02 116.66 116.16 3dxa n ARG 17 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3dxa n ARG 17 Cb 0.66 -0.02 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 3dxa n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dxa n ALA 18 N -3.00 0.00 -2.98 2.89 0.00 -1.25 -1.01 120.51 115.16 3dxa n ALA 18 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3dxa n ALA 18 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3dxa n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxa s ALA 19 N -0.99 0.06 -0.40 0.00 0.00 -0.25 -4.50 121.76 115.68 3dxa s ALA 19 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3dxa s ALA 19 Cb 0.00 0.12 0.16 0.00 0.00 0.00 0.00 23.12 23.40 3dxa s ALA 19 CO 0.00 -0.14 0.29 -0.80 0.00 0.00 0.00 175.76 175.11 3dxa s ASN 20 N -1.23 2.30 -0.45 0.00 0.02 -1.26 -1.64 114.94 112.68 3dxa s ASN 20 Ca -0.13 -2.75 -0.05 0.00 -1.02 0.00 0.00 52.86 48.91 3dxa s ASN 20 Cb -0.08 -0.52 0.12 0.00 0.02 0.00 0.00 41.25 40.79 3dxa s ASN 20 CO -0.01 -0.22 0.27 -0.76 0.02 0.00 0.00 177.10 176.40 3dxa s LEU 21 N 0.38 5.38 0.84 0.60 1.02 -0.02 -4.95 118.68 121.93 3dxa s LEU 21 Ca 0.26 -2.08 -0.10 0.00 0.02 0.00 0.00 54.13 52.23 3dxa s LEU 21 Cb -0.08 -1.88 0.14 0.00 0.02 0.00 0.00 46.19 44.39 3dxa s LEU 21 CO -0.11 -0.57 1.17 -2.16 0.02 0.00 0.00 176.35 174.70 3dxa s PRO 22 N 1.08 1.33 -0.28 1.29 0.04 -1.26 -2.09 135.00 135.10 3dxa s PRO 22 Ca 0.08 -0.50 -0.19 0.00 0.04 0.00 0.00 61.00 60.44 3dxa s PRO 22 Cb -0.23 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.39 3dxa s PRO 22 CO -0.03 -1.86 0.91 0.00 0.04 0.00 0.00 177.00 176.05 3dxa s ASN 24 N 1.08 4.94 -0.46 0.00 0.01 -0.30 -2.48 114.94 117.74 3dxa s ASN 24 Ca -0.06 -1.12 0.04 0.00 -0.71 0.00 0.00 52.86 51.01 3dxa s ASN 24 Cb -0.04 -1.76 0.12 0.00 0.41 0.00 0.00 41.25 39.97 3dxa s ASN 24 CO -0.13 -0.25 0.19 -1.38 -1.51 0.00 0.00 177.10 174.02 3dxa s HIS 25 N 1.33 3.28 -1.95 2.20 -3.43 -1.13 -1.98 115.29 113.61 3dxa s HIS 25 Ca -0.03 -3.07 0.16 0.00 -0.80 0.00 0.00 55.06 51.33 3dxa s HIS 25 Cb -0.19 -2.79 0.16 0.00 -1.43 0.00 0.00 32.58 28.33 3dxa s HIS 25 CO -0.00 -0.81 1.05 -1.13 -2.00 0.00 0.00 174.74 171.85 3dxa n SER 26 N 3.50 2.44 -4.17 7.38 3.41 -1.26 -4.40 113.62 120.52 3dxa n SER 26 Ca 0.05 -1.70 -0.27 0.00 -0.26 0.00 0.00 58.87 56.68 3dxa n SER 26 Cb 0.35 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 3dxa n SER 26 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dxa s THR 27 N -1.31 1.56 -0.30 6.66 -4.23 -1.26 -5.08 115.64 111.67 3dxa s THR 27 Ca 0.20 -0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 59.84 3dxa s THR 27 Cb 0.14 -1.33 0.18 0.00 1.34 0.00 0.00 72.50 72.83 3dxa s THR 27 CO 0.20 0.44 0.82 -0.51 -0.54 0.00 0.00 174.62 175.04 3dxa s ILE 28 N -0.07 -0.68 0.23 2.99 2.07 -1.26 -5.05 121.20 119.43 3dxa s ILE 28 Ca -0.02 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 3dxa s ILE 28 Cb -0.11 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.40 3dxa s ILE 28 CO 0.02 0.00 0.64 -0.94 -1.91 0.00 0.00 174.94 172.75 3dxa s SER 29 N 2.85 6.83 0.46 4.50 1.04 -1.26 -4.91 113.70 123.20 3dxa s SER 29 Ca 0.08 1.19 0.31 0.00 0.48 0.00 0.00 55.95 58.01 3dxa s SER 29 Cb -0.12 -2.33 1.55 0.00 0.10 0.00 0.00 66.02 65.22 3dxa s SER 29 CO -0.17 -0.03 1.94 1.23 0.98 0.00 0.00 173.24 177.20 3dxa h GLY 30 N 2.96 0.00 -0.12 7.32 0.00 -2.01 0.16 103.07 111.39 3dxa h GLY 30 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3dxa h GLY 30 CO 0.66 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.36 3dxa n ASN 31 N -2.65 0.16 -4.53 0.19 6.94 -1.26 -4.82 115.26 109.29 3dxa n ASN 31 Ca -0.01 -2.00 -0.34 0.00 -0.02 0.00 0.00 54.58 52.21 3dxa n ASN 31 Cb 0.13 -0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.40 3dxa n ASN 31 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3dxa s GLU 32 N -1.93 3.76 0.47 -3.83 2.02 0.55 -4.69 118.70 115.05 3dxa s GLU 32 Ca 0.01 -0.47 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 3dxa s GLU 32 Cb 0.01 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 31.13 3dxa s GLU 32 CO 0.01 0.22 0.92 0.71 0.02 0.00 0.00 175.26 177.14 3dxa s TYR 33 N 0.46 3.44 -0.24 1.61 1.51 0.16 -4.86 117.35 119.43 3dxa s TYR 33 Ca -0.01 1.37 -0.08 0.00 -1.01 0.00 0.00 57.07 57.33 3dxa s TYR 33 Cb -0.14 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 3dxa s TYR 33 CO 0.02 -0.27 0.11 0.08 -1.11 0.00 0.00 175.55 174.38 3dxa s VAL 39 N -2.51 4.74 0.03 0.71 1.01 -0.66 -1.66 120.40 122.06 3dxa s VAL 39 Ca 0.57 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.61 3dxa s VAL 39 Cb -0.10 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3dxa s VAL 39 CO 0.29 0.34 -0.26 -0.31 0.00 0.00 0.00 175.10 175.16 3dxa s TYR 40 N 1.35 2.31 -0.10 5.22 2.02 0.34 -2.88 117.35 125.61 3dxa s TYR 40 Ca 0.06 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3dxa s TYR 40 Cb -0.15 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3dxa s TYR 40 CO 0.05 0.10 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.39 3dxa s TRP 41 N -0.77 1.95 0.26 2.71 0.52 -0.30 -1.03 118.94 122.28 3dxa s TRP 41 Ca 0.11 -0.89 0.12 0.00 0.02 0.00 0.00 56.10 55.46 3dxa s TRP 41 Cb -0.10 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.77 3dxa s TRP 41 CO 0.02 -0.45 -0.18 0.71 0.02 0.00 0.00 176.95 177.06 3dxa s TYR 42 N 0.92 2.35 -0.02 -1.98 2.02 -0.29 -1.91 117.35 118.44 3dxa s TYR 42 Ca -0.08 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3dxa s TYR 42 Cb -0.15 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3dxa s TYR 42 CO -0.00 0.67 -0.09 0.50 -1.57 0.00 0.00 175.55 175.06 3dxa s ARG 43 N -3.40 0.88 -0.27 -0.62 3.52 -0.72 -0.29 118.95 118.04 3dxa s ARG 43 Ca 0.29 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 3dxa s ARG 43 Cb -0.06 -0.83 0.07 0.00 -1.56 0.00 0.00 34.95 32.58 3dxa s ARG 43 CO 0.15 0.15 -0.02 -1.14 -0.81 0.00 0.00 175.30 173.62 3dxa s GLN 44 N 0.04 1.58 -1.18 5.12 0.74 0.98 -1.22 119.66 125.71 3dxa s GLN 44 Ca -0.00 -1.26 -0.19 0.00 0.05 0.00 0.00 55.36 53.96 3dxa s GLN 44 Cb -0.07 -2.70 0.08 0.00 1.10 0.00 0.00 33.01 31.43 3dxa s GLN 44 CO 0.00 -0.72 1.57 0.42 -0.55 0.00 0.00 175.29 176.01 3dxa s ILE 45 N 1.26 4.24 0.00 -2.34 1.01 -1.26 -2.14 121.20 121.98 3dxa s ILE 45 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.97 3dxa s ILE 45 Cb -0.19 -5.09 0.00 0.00 0.01 0.00 0.00 42.46 37.19 3dxa s ILE 45 CO -0.09 -1.91 0.00 1.57 0.00 0.00 0.00 174.94 174.52 3dxa n HIS 46 N 8.00 0.00 0.02 3.97 -0.00 -1.26 -2.37 115.22 123.58 3dxa n HIS 46 Ca 0.41 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.99 3dxa n HIS 46 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.43 3dxa n HIS 46 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3dxa h SER 47 N 0.00 0.73 0.00 0.26 0.87 -2.00 -3.42 113.55 109.99 3dxa h SER 47 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3dxa h SER 47 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3dxa h SER 47 CO 0.00 1.27 0.00 0.00 -0.53 0.00 0.00 176.83 177.57 3dxa n GLN 48 N -3.87 0.00 0.00 2.24 3.00 -1.00 -5.12 117.38 112.62 3dxa n GLN 48 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3dxa n GLN 48 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.99 3dxa n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dxa n GLY 49 N 5.00 1.65 3.67 1.08 0.00 -1.26 -4.82 105.19 110.50 3dxa n GLY 49 Ca 0.00 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3dxa n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxa n PRO 50 N -0.12 1.69 -4.08 1.61 -0.02 -1.26 -4.84 135.00 127.99 3dxa n PRO 50 Ca 0.00 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 3dxa n PRO 50 Cb 0.00 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 3dxa n PRO 50 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3dxa s GLN 51 N -2.20 2.45 0.54 -0.52 -2.07 -0.36 -4.98 119.66 112.51 3dxa s GLN 51 Ca 0.63 -1.47 -0.18 0.00 -1.82 0.00 0.00 55.36 52.52 3dxa s GLN 51 Cb -0.52 -2.24 -0.06 0.00 -1.09 0.00 0.00 33.01 29.10 3dxa s GLN 51 CO 0.57 0.15 1.04 -0.47 -1.32 0.00 0.00 175.29 175.25 3dxa s TYR 52 N -2.38 3.04 0.09 9.60 5.04 -1.26 -1.76 117.35 129.71 3dxa s TYR 52 Ca 0.37 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 3dxa s TYR 52 Cb -0.04 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.27 3dxa s TYR 52 CO 0.23 -0.90 0.00 -0.89 -1.34 0.00 0.00 175.55 172.65 3dxa n ILE 53 N -1.50 1.00 -3.64 3.14 5.41 -0.80 -4.81 119.36 118.17 3dxa n ILE 53 Ca 0.09 0.33 -0.07 0.00 1.00 0.00 0.00 62.75 64.10 3dxa n ILE 53 Cb 0.53 -1.47 -0.07 0.00 -0.71 0.00 0.00 39.64 37.92 3dxa n ILE 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3dxa s ILE 54 N -1.83 0.00 0.31 1.39 2.07 -1.19 -4.84 121.20 117.11 3dxa s ILE 54 Ca 0.00 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.34 3dxa s ILE 54 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.53 3dxa s ILE 54 CO 0.00 0.00 -0.13 -1.38 -1.91 0.00 0.00 174.94 171.52 3dxa s HIS 55 N 0.57 2.28 0.00 3.50 -3.43 -1.26 -1.15 115.29 115.79 3dxa s HIS 55 Ca -0.00 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 53.79 3dxa s HIS 55 Cb -0.05 -1.18 0.00 0.00 -1.43 0.00 0.00 32.58 29.92 3dxa s HIS 55 CO -0.09 0.59 0.00 0.41 -2.00 0.00 0.00 174.74 173.65 3dxa n GLY 56 N -0.69 3.95 0.66 -1.38 0.00 -1.14 -4.90 105.19 101.70 3dxa n GLY 56 Ca -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 3dxa n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxa n LEU 57 N 0.00 0.53 -2.70 0.99 -0.00 -1.26 -1.65 117.00 112.91 3dxa n LEU 57 Ca 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 56.01 56.02 3dxa n LEU 57 Cb 0.00 -0.30 0.06 0.00 -0.00 0.00 0.00 43.42 43.19 3dxa n LEU 57 CO 0.00 -0.53 0.11 0.29 -0.00 0.00 0.00 177.39 177.26 3dxa n LYS 58 N -3.00 1.26 0.00 1.96 4.76 -1.26 -4.53 118.16 117.35 3dxa n LYS 58 Ca -0.02 -2.79 0.00 0.00 -2.87 0.00 0.00 58.31 52.63 3dxa n LYS 58 Cb 0.07 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3dxa n LYS 58 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dxa n ASN 59 N -0.39 0.00 0.00 4.39 5.15 -1.26 -4.80 115.26 118.35 3dxa n ASN 59 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 3dxa n ASN 59 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.08 3dxa n ASN 59 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dxa n ASN 66 N 0.00 0.00 -5.01 1.20 4.05 -1.26 -3.39 115.26 110.85 3dxa n ASN 66 Ca 0.00 -0.48 -0.21 0.00 0.45 0.00 0.00 54.58 54.34 3dxa n ASN 66 Cb 0.00 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.06 3dxa n ASN 66 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dxa s GLU 67 N 0.00 2.28 -0.30 1.20 2.02 -0.16 -4.65 118.70 119.09 3dxa s GLU 67 Ca 0.00 -1.73 -0.15 0.00 0.02 0.00 0.00 54.97 53.11 3dxa s GLU 67 Cb 0.00 -2.54 0.16 0.00 0.10 0.00 0.00 34.13 31.85 3dxa s GLU 67 CO 0.00 -0.84 0.99 0.99 0.02 0.00 0.00 175.26 176.42 3dxa s THR 68 N -2.70 -0.43 0.00 3.63 2.01 -1.26 0.76 115.64 117.65 3dxa s THR 68 Ca 0.57 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.57 3dxa s THR 68 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.46 3dxa s THR 68 CO 0.36 0.00 0.00 -0.46 -0.69 0.00 0.00 174.62 173.83 3dxa n ASN 69 N 4.77 0.16 -0.05 3.53 0.23 0.29 -5.00 115.26 119.19 3dxa n ASN 69 Ca -0.11 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.81 3dxa n ASN 69 Cb 0.53 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.16 3dxa n ASN 69 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dxa h GLU 70 N 0.00 0.37 0.00 -3.83 3.07 -2.02 -3.29 114.58 108.88 3dxa h GLU 70 Ca 0.00 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 3dxa h GLU 70 Cb 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3dxa h GLU 70 CO 0.00 0.78 -0.34 0.52 -1.40 0.00 0.00 179.01 178.57 3dxa h MET 78 N -0.01 0.00 -1.70 2.33 2.86 -1.98 -3.49 114.93 112.94 3dxa h MET 78 Ca 0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3dxa h MET 78 Cb 0.72 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.13 3dxa h MET 78 CO 0.04 0.34 0.33 0.00 1.06 0.00 0.00 176.91 178.68 3dxa s ALA 79 N -3.18 -1.99 0.19 6.32 0.00 -1.24 -4.57 121.76 117.30 3dxa s ALA 79 Ca 0.04 2.03 0.06 0.00 0.00 0.00 0.00 51.96 54.09 3dxa s ALA 79 Cb 0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3dxa s ALA 79 CO 0.70 -0.29 0.12 -1.12 0.00 0.00 0.00 175.76 175.17 3dxa s SER 80 N 0.64 5.32 -0.08 0.00 0.01 -0.66 -0.54 113.70 118.39 3dxa s SER 80 Ca -0.01 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 3dxa s SER 80 Cb -0.05 -1.31 0.04 0.00 0.21 0.00 0.00 66.02 64.91 3dxa s SER 80 CO -0.08 0.04 0.06 -0.22 0.41 0.00 0.00 173.24 173.45 3dxa s LEU 81 N -3.30 0.25 -0.28 2.44 0.20 0.23 -1.44 118.68 116.79 3dxa s LEU 81 Ca 0.31 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.97 3dxa s LEU 81 Cb -0.09 -0.20 0.02 0.00 -0.43 0.00 0.00 46.19 45.49 3dxa s LEU 81 CO 0.23 -0.27 0.03 -0.63 -0.29 0.00 0.00 176.35 175.41 3dxa s ILE 82 N 2.14 3.53 0.11 6.68 1.01 -0.83 -0.99 121.20 132.85 3dxa s ILE 82 Ca 0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 3dxa s ILE 82 Cb -0.13 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3dxa s ILE 82 CO -0.05 0.12 0.27 -0.63 0.00 0.00 0.00 174.94 174.65 3dxa s ILE 83 N 1.43 5.32 -1.98 2.92 1.01 -1.22 -1.56 121.20 127.12 3dxa s ILE 83 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3dxa s ILE 83 Cb -0.17 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3dxa s ILE 83 CO -0.00 0.04 0.17 0.35 0.00 0.00 0.00 174.94 175.49 3dxa n THR 84 N -0.02 0.00 0.00 2.92 -2.24 -1.26 -4.69 114.28 108.99 3dxa n THR 84 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3dxa n THR 84 Cb 0.52 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3dxa n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dxa n GLU 84 N -0.48 0.00 0.00 -0.78 1.02 -1.26 -4.47 120.64 114.66 3dxa n GLU 84 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dxa n GLU 84 Cb 0.00 -1.31 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 3dxa n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dxa n ASP 84 N -0.74 0.00 -0.89 1.62 8.00 -1.26 -4.82 116.55 118.46 3dxa n ASP 84 Ca 0.00 -0.05 -0.03 0.00 0.71 0.00 0.00 54.79 55.42 3dxa n ASP 84 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3dxa n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxa n ARG 84 N -0.77 -1.03 -0.01 -1.24 1.74 -1.26 -4.95 116.66 109.14 3dxa n ARG 84 Ca 0.00 0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 57.19 3dxa n ARG 84 Cb 0.00 -3.00 -0.01 0.00 -1.02 0.00 0.00 32.46 28.44 3dxa n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dxa n LYS 85 N -1.11 0.04 -2.87 5.56 4.76 -1.26 -4.70 118.16 118.57 3dxa n LYS 85 Ca -0.00 0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3dxa n LYS 85 Cb 0.51 -1.01 0.01 0.00 -1.84 0.00 0.00 35.03 32.70 3dxa n LYS 85 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3dxa s SER 86 N -4.21 -0.84 0.56 4.39 1.04 -1.26 -2.83 113.70 110.55 3dxa s SER 86 Ca -0.02 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 3dxa s SER 86 Cb 0.01 1.08 -0.05 0.00 0.10 0.00 0.00 66.02 67.16 3dxa s SER 86 CO 0.04 -0.07 0.96 -0.94 0.98 0.00 0.00 173.24 174.20 3dxa s SER 87 N 1.55 6.31 -0.06 7.02 1.04 -1.03 -4.38 113.70 124.14 3dxa s SER 87 Ca 0.19 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 3dxa s SER 87 Cb 0.03 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.75 3dxa s SER 87 CO -0.10 -0.74 0.01 -0.89 0.98 0.00 0.00 173.24 172.49 3dxa s THR 88 N -2.97 0.29 -0.18 2.02 2.01 -0.60 -2.09 115.64 114.12 3dxa s THR 88 Ca 0.54 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 3dxa s THR 88 Cb -0.11 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 3dxa s THR 88 CO 0.48 0.23 0.84 -0.22 -0.69 0.00 0.00 174.62 175.26 3dxa s LEU 89 N 1.83 4.16 -0.24 4.42 2.96 -0.89 -1.97 118.68 128.95 3dxa s LEU 89 Ca 0.02 1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 54.96 3dxa s LEU 89 Cb -0.12 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3dxa s LEU 89 CO -0.04 -0.42 0.32 -0.63 -1.32 0.00 0.00 176.35 174.26 3dxa s ILE 90 N 2.26 5.23 -0.34 6.68 1.01 -0.52 -0.84 121.20 134.69 3dxa s ILE 90 Ca 0.38 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.42 3dxa s ILE 90 Cb -0.16 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3dxa s ILE 90 CO 0.12 0.24 0.19 -0.76 0.00 0.00 0.00 174.94 174.73 3dxa s LEU 91 N 1.56 4.40 -0.12 2.97 1.43 -0.65 -1.65 118.68 126.61 3dxa s LEU 91 Ca 0.14 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3dxa s LEU 91 Cb -0.15 -2.04 -0.13 0.00 0.03 0.00 0.00 46.19 43.89 3dxa s LEU 91 CO 0.08 -0.26 0.39 1.55 0.23 0.00 0.00 176.35 178.33 3dxa h PRO 92 N 8.42 0.00 -4.33 1.29 0.14 -1.80 -0.65 132.00 135.06 3dxa h PRO 92 Ca -0.30 0.00 -0.72 0.00 0.14 0.00 0.00 66.00 65.12 3dxa h PRO 92 Cb 1.14 0.00 -0.30 0.00 0.14 0.00 0.00 31.00 31.98 3dxa h PRO 92 CO 0.64 0.52 -0.42 -1.01 0.14 0.00 0.00 178.00 177.87 3dxa s HIS 93 N -1.92 3.44 0.29 1.56 3.76 -1.26 -4.30 115.29 116.87 3dxa s HIS 93 Ca -0.10 -1.91 -0.29 0.00 -0.15 0.00 0.00 55.06 52.60 3dxa s HIS 93 Cb -0.01 -3.42 -0.10 0.00 1.11 0.00 0.00 32.58 30.16 3dxa s HIS 93 CO 0.36 -0.98 1.24 0.00 -0.85 0.00 0.00 174.74 174.51 3dxa s ALA 94 N 1.34 3.47 0.34 -1.40 0.00 -0.18 -4.98 121.76 120.35 3dxa s ALA 94 Ca 0.06 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3dxa s ALA 94 Cb -0.26 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3dxa s ALA 94 CO -0.01 -0.46 0.13 0.95 0.00 0.00 0.00 175.76 176.37 3dxa s THR 95 N -0.88 0.59 0.22 0.00 -4.23 -1.26 -4.12 115.64 105.97 3dxa s THR 95 Ca 0.49 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.92 3dxa s THR 95 Cb -0.36 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.15 3dxa s THR 95 CO 0.46 0.00 1.86 -0.07 -0.54 0.00 0.00 174.62 176.33 3dxa h LEU 96 N 2.07 1.06 -1.87 4.79 -0.00 -1.96 -2.20 115.31 117.20 3dxa h LEU 96 Ca -0.36 -0.09 0.13 0.00 -0.00 0.00 0.00 57.88 57.57 3dxa h LEU 96 Cb 1.26 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.62 3dxa h LEU 96 CO 0.57 0.84 0.38 0.03 -0.00 0.00 0.00 178.44 180.26 3dxa h ARG 97 N 1.20 0.14 0.00 1.13 3.08 -1.97 -1.89 114.38 116.06 3dxa h ARG 97 Ca 0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3dxa h ARG 97 Cb -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3dxa h ARG 97 CO -0.05 0.09 0.00 -0.25 -1.07 0.00 0.00 179.97 178.69 3dxa n ASP 98 N -4.42 0.58 -4.63 7.04 9.92 -0.83 -4.77 116.55 119.44 3dxa n ASP 98 Ca 0.10 0.61 -0.43 0.00 -0.53 0.00 0.00 54.79 54.54 3dxa n ASP 98 Cb 0.52 -0.74 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 3dxa n ASP 98 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dxa s THR 99 N -3.19 3.28 0.17 -3.53 -4.23 -0.71 -4.89 115.64 102.54 3dxa s THR 99 Ca 0.07 0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 60.68 3dxa s THR 99 Cb 0.11 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.75 3dxa s THR 99 CO 0.44 -0.10 1.05 0.00 -0.54 0.00 0.00 174.62 175.47 3dxa s ALA 100 N 5.70 -1.64 -0.14 3.99 0.00 -1.11 -4.74 121.76 123.82 3dxa s ALA 100 Ca 0.85 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3dxa s ALA 100 Cb -0.33 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3dxa s ALA 100 CO 0.35 -1.07 0.59 0.08 0.00 0.00 0.00 175.76 175.71 3dxa s VAL 101 N -2.18 5.09 -0.08 0.00 1.01 -0.91 -1.56 120.40 121.77 3dxa s VAL 101 Ca 0.22 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.37 3dxa s VAL 101 Cb -0.02 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3dxa s VAL 101 CO 0.05 0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 174.96 3dxa s TYR 102 N 1.20 2.85 -0.13 5.22 1.51 0.14 -0.01 117.35 128.13 3dxa s TYR 102 Ca 0.30 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3dxa s TYR 102 Cb -0.16 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3dxa s TYR 102 CO 0.12 0.15 -0.20 0.71 -1.11 0.00 0.00 175.55 175.22 3dxa s TYR 103 N -0.44 2.67 -0.37 2.71 2.02 0.61 -1.47 117.35 123.09 3dxa s TYR 103 Ca 0.06 -1.07 -0.07 0.00 -0.37 0.00 0.00 57.07 55.62 3dxa s TYR 103 Cb -0.12 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.70 3dxa s TYR 103 CO 0.02 -0.45 0.17 0.00 -1.57 0.00 0.00 175.55 173.71 3dxa s ILE 105 N 1.39 1.32 -0.22 0.00 -4.36 -0.20 -4.78 121.20 114.36 3dxa s ILE 105 Ca 0.01 -1.05 -0.10 0.00 -0.26 0.00 0.00 60.65 59.25 3dxa s ILE 105 Cb -0.21 -1.17 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 3dxa s ILE 105 CO 0.02 0.10 0.14 0.68 0.24 0.00 0.00 174.94 176.13 3dxa s VAL 106 N -0.79 5.39 -0.13 8.37 -7.23 -1.26 -0.51 120.40 124.24 3dxa s VAL 106 Ca 0.04 0.19 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 3dxa s VAL 106 Cb -0.08 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.39 3dxa s VAL 106 CO 0.01 0.40 -0.22 0.86 -0.31 0.00 0.00 175.10 175.85 3dxa s TRP 107 N 0.66 2.56 -0.70 2.82 -0.00 -0.67 -4.85 118.94 118.77 3dxa s TRP 107 Ca 0.08 -1.22 0.16 0.00 -0.00 0.00 0.00 56.10 55.12 3dxa s TRP 107 Cb -0.12 -1.74 0.71 0.00 -0.00 0.00 0.00 33.47 32.31 3dxa s TRP 107 CO 0.01 -0.55 1.62 0.41 -0.00 0.00 0.00 176.95 178.44 3dxa n GLY 108 N 3.93 3.02 0.00 5.86 0.00 -1.26 0.36 105.19 117.10 3dxa n GLY 108 Ca -0.20 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3dxa n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxa n GLY 109 N 0.70 -1.29 4.81 -0.02 0.00 -1.26 -4.83 105.19 103.30 3dxa n GLY 109 Ca 0.25 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3dxa n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dxa n TYR 110 N -0.46 0.00 -0.88 1.61 0.18 -1.26 -4.87 117.16 111.48 3dxa n TYR 110 Ca 0.00 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 3dxa n TYR 110 Cb 0.00 0.00 0.24 0.00 -0.38 0.00 0.00 39.34 39.20 3dxa n TYR 110 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3dxa s GLN 111 N 0.00 -1.10 0.51 -3.48 -1.52 -1.26 -5.03 119.66 107.77 3dxa s GLN 111 Ca 0.00 0.26 -0.17 0.00 -1.95 0.00 0.00 55.36 53.50 3dxa s GLN 111 Cb 0.00 -1.58 -0.08 0.00 -0.22 0.00 0.00 33.01 31.13 3dxa s GLN 111 CO 0.00 -3.70 0.98 -1.59 -0.25 0.00 0.00 175.29 170.73 3dxa s LYS 112 N -5.07 3.96 0.05 2.91 -2.85 -1.26 -4.98 119.74 112.50 3dxa s LYS 112 Ca 0.69 0.96 -0.17 0.00 -1.00 0.00 0.00 55.97 56.44 3dxa s LYS 112 Cb -0.15 -2.14 -0.06 0.00 -2.06 0.00 0.00 37.83 33.41 3dxa s LYS 112 CO 0.58 -0.25 0.51 0.14 0.10 0.00 0.00 175.35 176.43 3dxa s VAL 113 N -2.59 4.85 -0.67 1.79 -7.23 -1.26 -4.98 120.40 110.31 3dxa s VAL 113 Ca 0.59 1.05 0.05 0.00 -1.81 0.00 0.00 61.98 61.86 3dxa s VAL 113 Cb -0.10 -3.82 0.17 0.00 0.56 0.00 0.00 36.38 33.19 3dxa s VAL 113 CO 0.30 0.54 0.47 -0.89 -0.31 0.00 0.00 175.10 175.21 3dxa s THR 114 N -1.12 2.66 0.10 5.32 2.01 -1.26 -5.08 115.64 118.27 3dxa s THR 114 Ca 0.28 -4.09 -0.34 0.00 0.31 0.00 0.00 61.69 57.84 3dxa s THR 114 Cb -0.18 -2.76 -0.14 0.00 0.01 0.00 0.00 72.50 69.43 3dxa s THR 114 CO 0.17 -1.01 1.60 0.49 -0.69 0.00 0.00 174.62 175.17 3dxa n PHE 115 N 2.11 2.17 -0.05 4.92 3.01 -1.26 -4.88 117.46 123.49 3dxa n PHE 115 Ca 0.20 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.94 3dxa n PHE 115 Cb 0.36 -2.53 0.00 0.00 -0.01 0.00 0.00 39.48 37.30 3dxa n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dxa n GLY 116 N 3.47 1.04 0.10 1.37 0.00 -1.26 -5.03 105.19 104.88 3dxa n GLY 116 Ca 0.18 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 3dxa n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dxa h THR 117 N 0.00 1.26 0.00 2.61 2.02 -1.92 -3.49 112.91 113.38 3dxa h THR 117 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3dxa h THR 117 Cb 0.00 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3dxa h THR 117 CO 0.00 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.04 3dxa n GLY 118 N 1.59 1.45 3.47 2.16 0.00 -1.26 -5.02 105.19 107.57 3dxa n GLY 118 Ca -0.22 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3dxa n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dxa s THR 119 N 1.04 4.20 -0.44 2.61 2.01 -0.54 -4.00 115.64 120.52 3dxa s THR 119 Ca 0.00 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 3dxa s THR 119 Cb 0.00 -2.92 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3dxa s THR 119 CO 0.00 0.40 0.38 -0.54 -0.69 0.00 0.00 174.62 174.17 3dxa s LYS 120 N 1.16 3.01 -0.19 4.92 3.01 -1.18 0.23 119.74 130.70 3dxa s LYS 120 Ca 0.04 -1.08 -0.17 0.00 -1.01 0.00 0.00 55.97 53.75 3dxa s LYS 120 Cb -0.14 -4.04 -0.04 0.00 -1.01 0.00 0.00 37.83 32.60 3dxa s LYS 120 CO 0.02 -0.90 0.44 -1.17 0.51 0.00 0.00 175.35 174.25 3dxa s LEU 121 N 1.82 4.16 -0.16 3.17 2.96 -0.60 -3.29 118.68 126.74 3dxa s LEU 121 Ca 0.07 0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3dxa s LEU 121 Cb -0.21 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3dxa s LEU 121 CO 0.10 -0.10 0.01 -1.10 -1.32 0.00 0.00 176.35 173.94 3dxa s GLN 122 N 1.36 3.74 -0.21 1.98 -1.52 -0.94 -2.77 119.66 121.30 3dxa s GLN 122 Ca 0.21 -0.42 -0.00 0.00 -1.95 0.00 0.00 55.36 53.19 3dxa s GLN 122 Cb -0.15 -3.04 0.02 0.00 -0.22 0.00 0.00 33.01 29.62 3dxa s GLN 122 CO 0.09 0.31 -0.13 0.08 -0.25 0.00 0.00 175.29 175.38 3dxa s VAL 123 N 0.23 2.51 -0.01 1.09 1.01 -1.26 -0.26 120.40 123.71 3dxa s VAL 123 Ca 0.01 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.15 3dxa s VAL 123 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3dxa s VAL 123 CO 0.02 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.69 3dxa s ILE 124 N 1.33 2.49 0.37 2.22 -1.09 -0.73 -4.75 121.20 121.03 3dxa s ILE 124 Ca 0.03 -1.05 -0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3dxa s ILE 124 Cb -0.14 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 3dxa s ILE 124 CO -0.09 0.51 0.58 -2.16 -1.23 0.00 0.00 174.94 172.55 3dxa s PRO 125 N -0.88 3.46 1.23 2.79 0.04 -1.26 -2.18 135.00 138.19 3dxa s PRO 125 Ca 0.12 -0.30 -0.17 0.00 0.04 0.00 0.00 61.00 60.69 3dxa s PRO 125 Cb -0.10 -2.63 0.30 0.00 0.04 0.00 0.00 34.50 32.11 3dxa s PRO 125 CO 0.01 0.09 1.02 0.42 0.04 0.00 0.00 177.00 178.58 3dxa s ILE 126 N -2.37 1.69 0.33 0.56 1.09 -1.26 -4.57 121.20 116.67 3dxa s ILE 126 Ca 0.41 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.95 3dxa s ILE 126 Cb -0.10 -2.21 -0.00 0.00 -1.06 0.00 0.00 42.46 39.09 3dxa s ILE 126 CO 0.37 0.00 0.44 -1.10 -0.10 0.00 0.00 174.94 174.55 3dxa s GLN 127 N -4.89 1.86 -0.35 2.79 -1.52 -1.26 -4.99 119.66 111.30 3dxa s GLN 127 Ca 0.68 -1.76 -0.01 0.00 -1.95 0.00 0.00 55.36 52.32 3dxa s GLN 127 Cb -0.18 0.43 0.12 0.00 -0.22 0.00 0.00 33.01 33.16 3dxa s GLN 127 CO 0.60 -0.76 0.17 1.21 -0.25 0.00 0.00 175.29 176.26 3dxa s ASN 128 N -3.24 3.53 0.65 5.90 2.47 -1.26 -5.16 114.94 117.82 3dxa s ASN 128 Ca 0.32 -1.93 -0.09 0.00 0.42 0.00 0.00 52.86 51.57 3dxa s ASN 128 Cb 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.15 3dxa s ASN 128 CO 0.20 -0.36 1.01 -2.16 -3.72 0.00 0.00 177.10 172.07 3dxa s PRO 129 N 1.30 3.00 -0.41 0.43 0.04 -1.26 -5.05 135.00 133.05 3dxa s PRO 129 Ca 0.14 0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.55 3dxa s PRO 129 Cb -0.20 -2.13 0.30 0.00 0.04 0.00 0.00 34.50 32.51 3dxa s PRO 129 CO -0.15 -0.83 1.17 -3.47 0.04 0.00 0.00 177.00 173.77 3dxa n ASP 130 N -2.80 -1.98 -4.69 6.66 2.03 0.08 -5.04 116.55 110.81 3dxa n ASP 130 Ca 0.06 -2.82 -0.44 0.00 0.52 0.00 0.00 54.79 52.11 3dxa n ASP 130 Cb 0.57 1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 42.46 3dxa n ASP 130 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3dxa n PRO 131 N 0.82 2.15 -3.53 -0.67 -0.04 -0.97 -4.60 135.00 128.16 3dxa n PRO 131 Ca 0.03 0.76 -0.14 0.00 -0.04 0.00 0.00 63.50 64.11 3dxa n PRO 131 Cb 0.70 -2.41 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 3dxa n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxa s ALA 132 N -0.39 -1.81 -0.32 0.55 0.00 -1.05 -2.11 121.76 116.63 3dxa s ALA 132 Ca 0.63 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 3dxa s ALA 132 Cb -0.60 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 22.50 3dxa s ALA 132 CO 0.54 -0.42 0.10 0.08 0.00 0.00 0.00 175.76 176.05 3dxa s VAL 133 N -1.62 1.05 0.18 0.00 1.01 -0.70 -1.59 120.40 118.72 3dxa s VAL 133 Ca -0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 3dxa s VAL 133 Cb -0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3dxa s VAL 133 CO 0.03 -0.67 0.39 -0.31 0.00 0.00 0.00 175.10 174.53 3dxa s TYR 134 N 1.51 3.48 -0.15 5.22 2.02 -1.06 -4.48 117.35 123.89 3dxa s TYR 134 Ca 0.10 0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3dxa s TYR 134 Cb -0.18 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3dxa s TYR 134 CO -0.23 0.39 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.99 3dxa s GLN 135 N -3.05 3.66 0.00 -0.62 0.74 -1.26 -1.33 119.66 117.80 3dxa s GLN 135 Ca 0.40 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.32 3dxa s GLN 135 Cb -0.11 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.04 3dxa s GLN 135 CO 0.27 0.29 0.00 1.28 -0.55 0.00 0.00 175.29 176.58 3dxa n LEU 136 N 3.41 0.00 0.00 3.68 4.77 -1.22 -4.97 117.00 122.67 3dxa n LEU 136 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3dxa n LEU 136 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3dxa n LEU 136 CO 0.33 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.25 3dxa n ARG 137 N 0.00 0.00 0.00 3.23 0.63 -1.26 -5.04 116.66 114.22 3dxa n ARG 137 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dxa n ARG 137 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3dxa n ARG 137 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3dxa h ASP 138 N 0.00 -0.01 0.26 6.15 1.82 -1.99 -3.34 116.42 119.32 3dxa h ASP 138 Ca 0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 3dxa h ASP 138 Cb 0.00 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.04 3dxa h ASP 138 CO 0.00 -0.00 -1.37 -1.28 -1.61 0.00 0.00 179.24 174.98 3dxa h SER 139 N -0.01 0.81 -0.60 2.28 0.87 -1.99 -3.47 113.55 111.45 3dxa h SER 139 Ca -0.00 -0.82 -0.20 0.00 -1.23 0.00 0.00 61.79 59.54 3dxa h SER 139 Cb 0.00 -0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 61.59 3dxa h SER 139 CO 0.00 1.63 0.19 2.29 -0.53 0.00 0.00 176.83 180.41 3dxa n LYS 140 N -3.72 3.01 -0.10 2.24 2.85 -1.26 -4.84 118.16 116.34 3dxa n LYS 140 Ca -0.15 -3.06 -0.14 0.00 -1.05 0.00 0.00 58.31 53.91 3dxa n LYS 140 Cb 1.05 -2.06 -0.05 0.00 -0.65 0.00 0.00 35.03 33.33 3dxa n LYS 140 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3dxa n SER 141 N -0.54 1.90 -0.07 -5.58 3.41 -1.26 -4.86 113.62 106.63 3dxa n SER 141 Ca 0.38 0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 59.29 3dxa n SER 141 Cb 1.25 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3dxa n SER 141 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dxa n SER 142 N -4.36 -0.17 -1.31 4.04 7.64 -1.26 -4.93 113.62 113.26 3dxa n SER 142 Ca -0.24 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.24 3dxa n SER 142 Cb 0.60 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3dxa n SER 142 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3dxa n ASP 143 N -3.17 1.80 0.14 6.43 5.75 -1.26 -5.17 116.55 121.07 3dxa n ASP 143 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 3dxa n ASP 143 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3dxa n ASP 143 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3dxa n LYS 144 N -0.07 0.00 -2.42 0.11 4.81 -1.26 -4.78 118.16 114.55 3dxa n LYS 144 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 3dxa n LYS 144 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 3dxa n LYS 144 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3dxa s SER 145 N -4.18 7.14 -0.24 3.14 1.04 -1.25 -4.06 113.70 115.29 3dxa s SER 145 Ca 0.00 2.18 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 3dxa s SER 145 Cb 0.00 -2.61 0.09 0.00 0.10 0.00 0.00 66.02 63.61 3dxa s SER 145 CO 0.00 -0.32 0.16 -0.69 0.98 0.00 0.00 173.24 173.36 3dxa s VAL 146 N -0.09 -0.16 0.28 5.02 1.01 -1.26 -4.09 120.40 121.10 3dxa s VAL 146 Ca 0.52 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 3dxa s VAL 146 Cb -0.31 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 3dxa s VAL 146 CO 0.36 -0.49 0.95 0.00 0.00 0.00 0.00 175.10 175.92 3dxa s LEU 148 N -1.63 3.78 -0.14 0.00 2.96 -0.44 -1.55 118.68 121.66 3dxa s LEU 148 Ca 0.46 -2.68 -0.29 0.00 -0.22 0.00 0.00 54.13 51.39 3dxa s LEU 148 Cb -0.23 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3dxa s LEU 148 CO 0.28 -0.28 1.38 0.12 -1.32 0.00 0.00 176.35 176.54 3dxa s PHE 149 N 0.20 2.57 0.29 5.38 5.36 -0.79 -2.57 117.98 128.42 3dxa s PHE 149 Ca 0.16 0.75 -0.10 0.00 -0.96 0.00 0.00 56.93 56.79 3dxa s PHE 149 Cb -0.24 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 3dxa s PHE 149 CO -0.03 -2.36 0.50 -0.08 -1.46 0.00 0.00 175.22 171.79 3dxa s THR 150 N 3.71 0.00 -1.53 0.12 -1.32 -0.62 -0.57 115.64 115.42 3dxa s THR 150 Ca 0.61 -1.44 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3dxa s THR 150 Cb -0.25 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 3dxa s THR 150 CO 0.19 0.00 0.59 0.47 -2.21 0.00 0.00 174.62 173.66 3dxa n ASP 151 N -0.79 -6.06 -4.84 8.08 9.92 -0.77 -2.52 116.55 119.58 3dxa n ASP 151 Ca -0.01 -0.28 -0.24 0.00 -0.53 0.00 0.00 54.79 53.73 3dxa n ASP 151 Cb 0.62 -4.87 -0.04 0.00 -0.64 0.00 0.00 41.12 36.18 3dxa n ASP 151 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3dxa s PHE 152 N -3.17 3.19 0.64 1.24 -0.71 -1.25 -0.74 117.98 117.18 3dxa s PHE 152 Ca 0.29 -0.05 -0.14 0.00 -1.04 0.00 0.00 56.93 55.99 3dxa s PHE 152 Cb -0.13 -1.48 -0.01 0.00 -1.21 0.00 0.00 43.02 40.19 3dxa s PHE 152 CO 0.36 0.51 1.08 0.16 -1.34 0.00 0.00 175.22 175.99 3dxa s ASP 153 N -3.49 5.38 0.00 1.98 -4.77 -1.26 -4.35 116.67 110.16 3dxa s ASP 153 Ca 0.32 1.86 0.21 0.00 -3.30 0.00 0.00 52.55 51.64 3dxa s ASP 153 Cb -0.09 -2.53 1.24 0.00 -1.09 0.00 0.00 42.92 40.45 3dxa s ASP 153 CO 0.25 -1.44 1.65 -1.20 0.70 0.00 0.00 175.17 175.13 3dxa n SER 154 N -2.43 0.00 -0.44 2.11 7.64 -1.26 -1.75 113.62 117.48 3dxa n SER 154 Ca 0.09 -0.82 0.10 0.00 1.01 0.00 0.00 58.87 59.25 3dxa n SER 154 Cb 0.53 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.15 3dxa n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxa n GLN 155 N -0.94 1.58 -3.73 1.43 1.13 -1.26 -4.84 117.38 110.74 3dxa n GLN 155 Ca 0.16 -0.87 -0.37 0.00 -1.94 0.00 0.00 57.00 53.97 3dxa n GLN 155 Cb 0.07 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 3dxa n GLN 155 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3dxa s THR 156 N -1.84 5.36 -0.15 5.09 2.01 -0.72 -5.10 115.64 120.29 3dxa s THR 156 Ca 0.32 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.74 3dxa s THR 156 Cb 0.17 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 69.18 3dxa s THR 156 CO 0.26 0.56 -0.21 0.20 -0.69 0.00 0.00 174.62 174.74 3dxa s ASN 157 N -0.72 3.18 0.31 3.53 0.01 -1.26 -5.00 114.94 114.99 3dxa s ASN 157 Ca 0.17 -0.60 -0.22 0.00 -0.71 0.00 0.00 52.86 51.50 3dxa s ASN 157 Cb -0.13 -1.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.97 3dxa s ASN 157 CO 0.06 0.06 0.85 0.54 -1.51 0.00 0.00 177.10 177.10 3dxa s VAL 158 N 0.92 4.42 0.00 1.60 0.11 -1.26 -4.44 120.40 121.74 3dxa s VAL 158 Ca -0.04 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.48 3dxa s VAL 158 Cb -0.15 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 3dxa s VAL 158 CO -0.04 0.03 0.00 -0.24 -3.33 0.00 0.00 175.10 171.52 3dxa n SER 159 N 0.25 1.09 -4.92 3.54 2.88 -1.26 -4.92 113.62 110.28 3dxa n SER 159 Ca 0.02 -0.85 -0.22 0.00 -1.33 0.00 0.00 58.87 56.49 3dxa n SER 159 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 3dxa n SER 159 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dxa s GLN 160 N -1.41 3.25 0.01 -1.46 -1.52 -1.26 -4.96 119.66 112.32 3dxa s GLN 160 Ca 0.00 -0.86 -0.02 0.00 -1.95 0.00 0.00 55.36 52.53 3dxa s GLN 160 Cb 0.00 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 30.01 3dxa s GLN 160 CO 0.00 0.43 0.44 0.43 -0.25 0.00 0.00 175.29 176.33 3dxa n SER 161 N -1.27 -0.08 -0.03 5.90 7.64 -1.26 -4.85 113.62 119.67 3dxa n SER 161 Ca -0.09 0.46 -0.20 0.00 1.01 0.00 0.00 58.87 60.05 3dxa n SER 161 Cb 0.57 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.46 3dxa n SER 161 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3dxa n LYS 162 N -2.80 0.73 -1.71 1.43 4.81 -1.26 -4.88 118.16 114.47 3dxa n LYS 162 Ca 0.00 0.24 -0.42 0.00 -0.87 0.00 0.00 58.31 57.26 3dxa n LYS 162 Cb 0.02 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.37 3dxa n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3dxa s ASP 163 N -6.88 6.46 -0.04 3.14 -4.77 -1.26 -4.89 116.67 108.43 3dxa s ASP 163 Ca -0.24 2.66 0.01 0.00 -3.30 0.00 0.00 52.55 51.68 3dxa s ASP 163 Cb 0.07 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.45 3dxa s ASP 163 CO 0.74 -1.03 0.93 -1.54 0.70 0.00 0.00 175.17 174.96 3dxa n SER 164 N 7.02 2.49 0.07 2.11 3.41 -1.26 -1.60 113.62 125.85 3dxa n SER 164 Ca 0.19 -2.16 -0.06 0.00 -0.26 0.00 0.00 58.87 56.58 3dxa n SER 164 Cb 0.40 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 3dxa n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dxa h ASP 165 N 0.27 0.00 -3.34 4.04 3.32 -1.98 -3.45 116.42 115.27 3dxa h ASP 165 Ca 0.05 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.44 3dxa h ASP 165 Cb 1.01 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 3dxa h ASP 165 CO 0.10 0.93 -0.73 0.68 -1.72 0.00 0.00 179.24 178.51 3dxa s VAL 166 N -2.78 3.34 -0.06 -1.35 -7.23 -0.63 -4.51 120.40 107.20 3dxa s VAL 166 Ca 0.01 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 3dxa s VAL 166 Cb 0.10 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3dxa s VAL 166 CO 0.81 0.48 0.16 -0.31 -0.31 0.00 0.00 175.10 175.93 3dxa s TYR 167 N 0.76 3.55 -0.12 2.82 2.02 -0.22 -4.72 117.35 121.44 3dxa s TYR 167 Ca -0.03 0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 3dxa s TYR 167 Cb -0.15 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.59 3dxa s TYR 167 CO 0.02 0.68 0.09 0.42 -1.57 0.00 0.00 175.55 175.18 3dxa s ILE 168 N -1.19 -0.12 0.59 2.71 1.01 -1.26 -1.21 121.20 121.73 3dxa s ILE 168 Ca 0.22 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 3dxa s ILE 168 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3dxa s ILE 168 CO 0.12 -0.10 1.04 0.42 0.00 0.00 0.00 174.94 176.42 3dxa s THR 169 N 2.17 4.03 0.81 2.92 -4.23 0.47 -4.84 115.64 116.97 3dxa s THR 169 Ca 0.03 0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 61.36 3dxa s THR 169 Cb -0.14 -3.48 0.08 0.00 1.34 0.00 0.00 72.50 70.30 3dxa s THR 169 CO -0.07 -0.60 1.09 -0.62 -0.54 0.00 0.00 174.62 173.88 3dxa s ASP 170 N -2.99 4.23 0.67 3.99 -1.08 -1.26 -4.30 116.67 115.92 3dxa s ASP 170 Ca 0.62 1.61 -0.16 0.00 -0.52 0.00 0.00 52.55 54.09 3dxa s ASP 170 Cb -0.14 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3dxa s ASP 170 CO 0.38 -2.18 1.17 -1.59 0.52 0.00 0.00 175.17 173.47 3dxa s LYS 171 N -4.97 2.61 0.06 4.34 -2.85 -1.26 -4.67 119.74 113.01 3dxa s LYS 171 Ca 0.62 1.63 -0.22 0.00 -1.00 0.00 0.00 55.97 56.99 3dxa s LYS 171 Cb -0.17 -1.90 0.05 0.00 -2.06 0.00 0.00 37.83 33.75 3dxa s LYS 171 CO 0.56 -1.45 0.53 0.00 0.10 0.00 0.00 175.35 175.09 3dxa s VAL 173 N -2.65 3.92 0.04 0.00 0.11 -1.26 -0.69 120.40 119.86 3dxa s VAL 173 Ca -0.04 -0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 3dxa s VAL 173 Cb -0.00 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.91 3dxa s VAL 173 CO -0.03 0.29 0.34 -1.48 -3.33 0.00 0.00 175.10 170.88 3dxa s LEU 174 N 1.54 4.37 -0.29 2.54 2.34 -1.03 -4.96 118.68 123.19 3dxa s LEU 174 Ca 0.05 0.69 -0.02 0.00 0.06 0.00 0.00 54.13 54.91 3dxa s LEU 174 Cb -0.15 -2.80 0.04 0.00 -0.56 0.00 0.00 46.19 42.72 3dxa s LEU 174 CO 0.01 0.22 -0.01 -0.62 -1.06 0.00 0.00 176.35 174.90 3dxa s ASP 175 N -1.68 4.79 0.33 1.48 2.15 -1.26 -2.65 116.67 119.83 3dxa s ASP 175 Ca 0.30 -1.15 0.12 0.00 0.43 0.00 0.00 52.55 52.25 3dxa s ASP 175 Cb -0.14 -1.72 1.03 0.00 -0.30 0.00 0.00 42.92 41.80 3dxa s ASP 175 CO 0.17 -0.23 1.64 0.24 -0.17 0.00 0.00 175.17 176.82 3dxa h MET 176 N 8.02 0.22 -0.33 4.34 2.86 -1.37 -3.45 114.93 125.23 3dxa h MET 176 Ca -0.24 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3dxa h MET 176 Cb 1.08 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3dxa h MET 176 CO 0.55 0.15 0.00 2.89 1.06 0.00 0.00 176.91 181.56 3dxa n ARG 177 N -5.15 2.71 0.22 1.72 1.85 -1.26 -4.83 116.66 111.93 3dxa n ARG 177 Ca 0.30 -1.99 0.10 0.00 -1.00 0.00 0.00 57.85 55.26 3dxa n ARG 177 Cb 0.96 -1.27 0.48 0.00 -1.05 0.00 0.00 32.46 31.58 3dxa n ARG 177 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3dxa h SER 178 N 2.05 0.00 0.00 2.89 0.02 -1.91 -3.36 113.55 113.24 3dxa h SER 178 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dxa h SER 178 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3dxa h SER 178 CO 0.00 0.22 0.00 0.23 -1.14 0.00 0.00 176.83 176.14 3dxa n MET 179 N -3.43 1.36 0.00 3.45 2.81 -1.26 -4.96 117.12 115.09 3dxa n MET 179 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dxa n MET 179 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 3dxa n MET 179 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dxa n ASP 180 N 0.00 0.00 -3.64 7.83 -0.08 -1.26 -5.06 116.55 114.35 3dxa n ASP 180 Ca 0.00 0.84 -0.09 0.00 -1.51 0.00 0.00 54.79 54.03 3dxa n ASP 180 Cb 0.00 -0.34 -0.07 0.00 2.34 0.00 0.00 41.12 43.05 3dxa n ASP 180 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3dxa s PHE 181 N -2.38 -0.72 0.12 -0.67 5.36 -1.26 -4.94 117.98 113.49 3dxa s PHE 181 Ca 0.00 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.63 3dxa s PHE 181 Cb 0.00 0.39 -0.04 0.00 -0.34 0.00 0.00 43.02 43.03 3dxa s PHE 181 CO 0.00 -0.35 -0.09 0.15 -1.46 0.00 0.00 175.22 173.47 3dxa s LYS 182 N 0.77 0.93 -0.29 10.12 1.02 -1.26 -0.87 119.74 130.15 3dxa s LYS 182 Ca -0.03 -1.35 -0.13 0.00 0.02 0.00 0.00 55.97 54.48 3dxa s LYS 182 Cb -0.05 -0.43 0.11 0.00 -0.52 0.00 0.00 37.83 36.94 3dxa s LYS 182 CO -0.08 0.04 0.69 -1.54 -0.92 0.00 0.00 175.35 173.53 3dxa s SER 183 N -3.00 -1.03 0.17 2.83 1.04 -1.09 -4.91 113.70 107.71 3dxa s SER 183 Ca 0.13 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 3dxa s SER 183 Cb 0.03 1.91 -0.08 0.00 0.10 0.00 0.00 66.02 67.97 3dxa s SER 183 CO -0.02 -0.22 1.32 0.20 0.98 0.00 0.00 173.24 175.50 3dxa s ASN 184 N 2.37 6.89 0.02 7.02 0.01 -1.26 -2.47 114.94 127.52 3dxa s ASN 184 Ca -0.07 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 3dxa s ASN 184 Cb -0.09 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 3dxa s ASN 184 CO -0.19 -0.55 -0.04 -0.94 -1.51 0.00 0.00 177.10 173.86 3dxa s SER 185 N 0.59 0.38 -0.07 -1.22 1.04 0.13 -1.85 113.70 112.71 3dxa s SER 185 Ca 0.59 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.46 3dxa s SER 185 Cb -0.36 0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3dxa s SER 185 CO 0.35 -0.28 0.17 0.00 0.98 0.00 0.00 173.24 174.47 3dxa s ALA 186 N -1.44 -0.38 0.04 5.32 0.00 0.26 -0.32 121.76 125.25 3dxa s ALA 186 Ca -0.15 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3dxa s ALA 186 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3dxa s ALA 186 CO -0.01 -0.12 0.00 0.08 0.00 0.00 0.00 175.76 175.71 3dxa s VAL 187 N 0.64 4.11 -0.05 0.00 1.01 -1.26 -1.88 120.40 122.96 3dxa s VAL 187 Ca -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3dxa s VAL 187 Cb -0.06 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3dxa s VAL 187 CO -0.03 0.26 0.21 0.00 0.00 0.00 0.00 175.10 175.53 3dxa s ALA 188 N -1.19 -0.52 0.26 5.51 0.00 -0.59 -0.40 121.76 124.83 3dxa s ALA 188 Ca 0.23 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 3dxa s ALA 188 Cb -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3dxa s ALA 188 CO 0.14 -0.15 0.59 1.67 0.00 0.00 0.00 175.76 178.01 3dxa s TRP 189 N -0.42 0.11 0.12 0.00 -2.14 -0.35 -0.32 118.94 115.94 3dxa s TRP 189 Ca -0.05 -0.52 -0.07 0.00 2.66 0.00 0.00 56.10 58.12 3dxa s TRP 189 Cb -0.03 0.42 0.02 0.00 -3.10 0.00 0.00 33.47 30.78 3dxa s TRP 189 CO 0.01 -1.10 0.33 0.45 -2.66 0.00 0.00 176.95 173.98 3dxa n SER 190 N -0.42 -0.80 -3.32 -2.66 2.88 -1.26 -1.06 113.62 106.99 3dxa n SER 190 Ca -0.03 -1.51 -0.25 0.00 -1.33 0.00 0.00 58.87 55.75 3dxa n SER 190 Cb 0.61 1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 65.30 3dxa n SER 190 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3dxa n ASN 191 N -1.08 0.98 -1.73 -3.46 5.15 -1.26 -4.52 115.26 109.34 3dxa n ASN 191 Ca -0.02 -2.82 -0.05 0.00 -0.60 0.00 0.00 54.58 51.08 3dxa n ASN 191 Cb 0.22 -0.64 -0.01 0.00 -0.53 0.00 0.00 39.78 38.82 3dxa n ASN 191 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3dxa n LYS 192 N 1.58 0.24 -0.13 1.20 5.02 -1.26 -5.07 118.16 119.74 3dxa n LYS 192 Ca 0.24 -1.03 -0.22 0.00 -2.02 0.00 0.00 58.31 55.28 3dxa n LYS 192 Cb 0.48 0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 36.36 3dxa n LYS 192 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dxa n SER 193 N -2.01 1.97 -0.30 4.39 7.64 -1.26 -4.49 113.62 119.56 3dxa n SER 193 Ca 0.00 0.03 0.15 0.00 1.01 0.00 0.00 58.87 60.06 3dxa n SER 193 Cb 0.21 -0.55 0.29 0.00 -1.01 0.00 0.00 64.21 63.14 3dxa n SER 193 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dxa n ASP 194 N -3.60 -0.06 -4.68 6.43 2.03 -1.26 -4.52 116.55 110.90 3dxa n ASP 194 Ca -0.49 1.49 -0.42 0.00 0.52 0.00 0.00 54.79 55.89 3dxa n ASP 194 Cb 0.96 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.77 3dxa n ASP 194 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3dxa s PHE 195 N -5.79 2.66 0.17 -0.67 5.36 -1.26 -5.01 117.98 113.44 3dxa s PHE 195 Ca -0.11 0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 56.53 3dxa s PHE 195 Cb 0.26 -3.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 3dxa s PHE 195 CO 0.69 -2.60 0.19 0.00 -1.46 0.00 0.00 175.22 172.03 3dxa s ALA 196 N 2.96 0.53 -0.55 11.12 0.00 -1.26 -4.91 121.76 129.65 3dxa s ALA 196 Ca 0.64 -1.27 0.26 0.00 0.00 0.00 0.00 51.96 51.59 3dxa s ALA 196 Cb -0.30 1.00 0.77 0.00 0.00 0.00 0.00 23.12 24.59 3dxa s ALA 196 CO 0.25 -0.60 1.74 0.00 0.00 0.00 0.00 175.76 177.15 3dxa h ALA 198 N 2.31 1.56 -0.02 0.00 0.00 -1.95 -3.28 119.26 117.88 3dxa h ALA 198 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3dxa h ALA 198 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dxa h ALA 198 CO 0.00 0.32 -0.29 0.27 0.00 0.00 0.00 179.25 179.55 3dxa n ASN 199 N -4.25 2.01 0.10 0.00 0.23 -1.07 -4.75 115.26 107.54 3dxa n ASN 199 Ca -0.02 -3.59 -0.19 0.00 -0.53 0.00 0.00 54.58 50.25 3dxa n ASN 199 Cb 0.30 -0.50 -0.12 0.00 -2.08 0.00 0.00 39.78 37.38 3dxa n ASN 199 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxa h ALA 200 N 0.65 0.07 -0.48 -2.53 0.00 -1.61 -3.37 119.26 111.99 3dxa h ALA 200 Ca 0.01 -0.81 -0.35 0.00 0.00 0.00 0.00 54.91 53.75 3dxa h ALA 200 Cb 1.03 0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 3dxa h ALA 200 CO 0.02 0.81 -0.72 1.19 0.00 0.00 0.00 179.25 180.55 3dxa n PHE 201 N -3.68 1.75 0.50 0.00 3.72 -1.26 -4.80 117.46 113.68 3dxa n PHE 201 Ca -0.11 -1.95 0.13 0.00 -0.05 0.00 0.00 57.45 55.46 3dxa n PHE 201 Cb 0.99 -0.31 0.36 0.00 -0.94 0.00 0.00 39.48 39.59 3dxa n PHE 201 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3dxa h ASN 202 N 1.77 0.00 -0.62 4.37 4.21 -1.89 -1.70 115.58 121.72 3dxa h ASN 202 Ca 0.23 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.52 3dxa h ASN 202 Cb 1.35 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.42 3dxa h ASN 202 CO 0.48 0.00 0.21 -0.46 -1.29 0.00 0.00 177.43 176.38 3dxa n ASN 203 N -2.49 3.99 -4.24 5.81 6.94 -1.26 -4.87 115.26 119.13 3dxa n ASN 203 Ca 0.05 -3.38 -0.32 0.00 -0.02 0.00 0.00 54.58 50.91 3dxa n ASN 203 Cb 0.43 -0.70 -0.17 0.00 -2.36 0.00 0.00 39.78 36.98 3dxa n ASN 203 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3dxa s SER 204 N -1.56 3.21 -0.64 0.53 0.01 -0.64 -4.56 113.70 110.05 3dxa s SER 204 Ca 0.51 -0.53 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 3dxa s SER 204 Cb 0.42 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 65.22 3dxa s SER 204 CO 0.09 0.16 1.57 -0.63 0.41 0.00 0.00 173.24 174.85 3dxa s ILE 205 N 0.35 3.56 0.09 1.44 1.01 -1.26 -4.96 121.20 121.44 3dxa s ILE 205 Ca -0.18 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 3dxa s ILE 205 Cb -0.18 -4.37 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 3dxa s ILE 205 CO 0.08 -1.28 0.45 -0.51 0.00 0.00 0.00 174.94 173.68 3dxa s ILE 206 N 7.30 5.02 0.07 2.92 2.07 -1.26 -4.66 121.20 132.65 3dxa s ILE 206 Ca 0.53 0.60 -0.35 0.00 -1.41 0.00 0.00 60.65 60.02 3dxa s ILE 206 Cb -0.11 -3.68 -0.14 0.00 0.13 0.00 0.00 42.46 38.66 3dxa s ILE 206 CO 0.20 0.30 1.60 -0.81 -1.91 0.00 0.00 174.94 174.31 3dxa n PRO 207 N 0.95 1.87 -0.98 3.50 -0.04 -1.26 -4.84 135.00 134.21 3dxa n PRO 207 Ca -0.08 0.68 -0.17 0.00 -0.04 0.00 0.00 63.50 63.89 3dxa n PRO 207 Cb 0.52 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 3dxa n PRO 207 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dxa n GLU 208 N 3.97 2.21 -0.75 0.54 1.02 -1.26 -3.08 120.64 123.29 3dxa n GLU 208 Ca 0.19 -1.20 -0.04 0.00 -0.02 0.00 0.00 57.16 56.09 3dxa n GLU 208 Cb 0.26 -2.15 -0.04 0.00 -0.02 0.00 0.00 31.44 29.48 3dxa n GLU 208 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3dxa n ASP 209 N 2.86 -0.55 -4.84 1.62 5.75 -1.26 -5.16 116.55 114.97 3dxa n ASP 209 Ca 0.47 -1.43 -0.32 0.00 -0.01 0.00 0.00 54.79 53.50 3dxa n ASP 209 Cb 0.66 0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.88 3dxa n ASP 209 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dxa s THR 210 N 0.00 4.51 0.04 2.12 2.01 -1.18 -4.93 115.64 118.22 3dxa s THR 210 Ca 0.00 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 3dxa s THR 210 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3dxa s THR 210 CO 0.00 -0.63 0.88 0.12 -0.69 0.00 0.00 174.62 174.30 3dxa s PHE 211 N -2.55 3.72 -0.33 4.92 5.36 -0.90 -4.96 117.98 123.24 3dxa s PHE 211 Ca 0.59 1.62 -0.01 0.00 -0.96 0.00 0.00 56.93 58.16 3dxa s PHE 211 Cb -0.10 -2.98 0.13 0.00 -0.34 0.00 0.00 43.02 39.73 3dxa s PHE 211 CO 0.28 0.15 0.19 -0.06 -1.46 0.00 0.00 175.22 174.32 3dxa s PHE 212 N 0.37 0.50 0.28 10.12 0.08 -1.26 -1.73 117.98 126.34 3dxa s PHE 212 Ca 0.45 -1.28 0.03 0.00 0.12 0.00 0.00 56.93 56.24 3dxa s PHE 212 Cb -0.21 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3dxa s PHE 212 CO 0.26 -0.84 0.44 -1.25 -0.10 0.00 0.00 175.22 173.73 3dxa s PRO 213 N 1.50 3.46 -0.43 0.24 0.04 -1.26 -5.09 135.00 133.45 3dxa s PRO 213 Ca 0.14 -0.55 0.03 0.00 0.04 0.00 0.00 61.00 60.66 3dxa s PRO 213 Cb -0.20 -2.80 0.12 0.00 0.04 0.00 0.00 34.50 31.66 3dxa s PRO 213 CO -0.14 0.32 0.17 -1.54 0.04 0.00 0.00 177.00 175.85 3dxa s SER 214 N -3.93 4.34 0.26 6.66 1.04 -1.26 -4.82 113.70 116.00 3dxa s SER 214 Ca 0.37 -2.56 0.14 0.00 0.48 0.00 0.00 55.95 54.38 3dxa s SER 214 Cb -0.09 -1.48 0.11 0.00 0.10 0.00 0.00 66.02 64.65 3dxa s SER 214 CO 0.32 -0.30 1.46 -0.65 0.98 0.00 0.00 173.24 175.04 3dxa h PRO 215 N 7.03 0.00 0.00 4.02 0.11 -1.99 -3.54 132.00 137.64 3dxa h PRO 215 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dxa h PRO 215 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3dxa h PRO 215 CO 0.59 0.58 0.00 -0.85 -0.21 0.00 0.00 178.00 178.10