#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3x h SER 3 N 0.00 0.87 -3.45 0.00 0.87 -2.03 -3.40 113.55 106.41 1b3x h SER 3 Ca 0.00 0.04 -0.60 0.00 -1.23 0.00 0.00 61.79 60.00 1b3x h SER 3 Cb 0.00 -0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 61.70 1b3x h SER 3 CO 0.00 0.51 -0.25 -0.69 -0.53 0.00 0.00 176.83 175.86 1b3x s VAL 4 N -6.01 5.23 -0.31 2.23 1.01 -1.26 -5.07 120.40 116.23 1b3x s VAL 4 Ca -0.12 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 1b3x s VAL 4 Cb 0.20 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1b3x s VAL 4 CO 0.80 0.29 0.64 -0.55 0.00 0.00 0.00 175.10 176.28 1b3x s SER 5 N 0.93 6.50 0.46 3.32 0.15 -1.26 -4.93 113.70 118.86 1b3x s SER 5 Ca 0.18 0.41 0.24 0.00 0.70 0.00 0.00 55.95 57.47 1b3x s SER 5 Cb -0.14 -2.34 1.07 0.00 -1.71 0.00 0.00 66.02 62.90 1b3x s SER 5 CO 0.07 -0.51 1.90 0.16 1.20 0.00 0.00 173.24 176.06 1b3x h ILE 6 N 5.57 0.62 -0.20 6.45 3.07 -1.90 -2.02 117.51 129.11 1b3x h ILE 6 Ca -0.26 -0.98 -0.04 0.00 1.55 0.00 0.00 64.86 65.13 1b3x h ILE 6 Cb 1.11 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 39.30 1b3x h ILE 6 CO 0.81 0.21 -0.02 -0.78 -1.05 0.00 0.00 178.15 177.32 1b3x h ASP 7 N 0.00 0.36 -0.58 2.16 3.58 -1.73 0.30 116.42 120.52 1b3x h ASP 7 Ca -0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1b3x h ASP 7 Cb 0.62 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1b3x h ASP 7 CO 0.03 0.62 0.38 0.00 -2.88 0.00 0.00 179.24 177.38 1b3x h ALA 8 N 0.76 0.73 -0.20 -0.78 0.00 -1.73 0.39 119.26 118.43 1b3x h ALA 8 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1b3x h ALA 8 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1b3x h ALA 8 CO 0.01 0.18 -0.32 0.87 0.00 0.00 0.00 179.25 179.99 1b3x h LYS 9 N 0.78 0.41 -0.18 0.00 1.79 -1.28 -1.44 116.57 116.66 1b3x h LYS 9 Ca 0.21 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.37 1b3x h LYS 9 Cb -0.08 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1b3x h LYS 9 CO -0.04 0.69 -0.44 0.35 -1.08 0.00 0.00 179.45 178.92 1b3x h PHE 10 N 0.35 0.79 -0.24 -1.35 3.57 -0.56 -3.02 116.94 116.48 1b3x h PHE 10 Ca 0.04 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1b3x h PHE 10 Cb 0.74 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1b3x h PHE 10 CO 0.02 1.07 0.03 0.87 -2.23 0.00 0.00 178.31 178.07 1b3x h LYS 11 N 0.28 0.34 0.00 1.11 1.57 -0.75 -1.28 116.57 117.85 1b3x h LYS 11 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1b3x h LYS 11 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1b3x h LYS 11 CO 0.10 0.35 -0.01 0.00 -0.57 0.00 0.00 179.45 179.32 1b3x h ALA 12 N 1.70 1.38 -0.36 3.86 0.00 -1.13 0.39 119.26 125.10 1b3x h ALA 12 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b3x h ALA 12 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1b3x h ALA 12 CO 0.00 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.98 1b3x n HIS 13 N -3.64 0.68 -0.63 0.00 8.25 -0.49 -4.89 115.22 114.51 1b3x n HIS 13 Ca -0.03 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1b3x n HIS 13 Cb 0.09 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1b3x n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b3x n GLY 14 N 0.89 0.71 3.88 -1.41 0.00 0.13 -5.06 105.19 104.33 1b3x n GLY 14 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1b3x n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3x s LYS 15 N -0.37 3.67 0.09 1.61 -0.14 -1.19 -5.02 119.74 118.40 1b3x s LYS 15 Ca 0.00 0.43 -0.08 0.00 -1.36 0.00 0.00 55.97 54.96 1b3x s LYS 15 Cb 0.00 -2.33 -0.20 0.00 -1.68 0.00 0.00 37.83 33.61 1b3x s LYS 15 CO 0.00 -0.18 1.20 0.87 -0.76 0.00 0.00 175.35 176.48 1b3x h LYS 16 N 0.64 0.44 -1.71 1.68 1.57 -1.05 -3.37 116.57 114.77 1b3x h LYS 16 Ca -0.47 -0.57 0.24 0.00 -1.87 0.00 0.00 60.65 57.98 1b3x h LYS 16 Cb 1.19 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.54 1b3x h LYS 16 CO 0.63 1.22 0.72 1.52 -0.57 0.00 0.00 179.45 182.97 1b3x s TYR 17 N -3.03 -0.14 -0.27 -1.35 -0.85 -1.22 -4.91 117.35 105.58 1b3x s TYR 17 Ca -0.06 0.04 -0.02 0.00 -0.52 0.00 0.00 57.07 56.50 1b3x s TYR 17 Cb 0.07 0.54 0.09 0.00 0.38 0.00 0.00 41.96 43.04 1b3x s TYR 17 CO 0.89 -0.36 0.08 -1.17 -1.52 0.00 0.00 175.55 173.48 1b3x s LEU 18 N -2.53 1.57 0.00 -3.49 0.20 -1.26 -2.47 118.68 110.70 1b3x s LEU 18 Ca 0.10 -1.31 0.00 0.00 0.69 0.00 0.00 54.13 53.62 1b3x s LEU 18 Cb 0.01 -0.68 0.00 0.00 -0.43 0.00 0.00 46.19 45.09 1b3x s LEU 18 CO -0.04 -0.38 0.01 0.61 -0.29 0.00 0.00 176.35 176.25 1b3x n GLY 19 N 4.99 3.87 0.00 7.98 0.00 0.15 -1.57 105.19 120.61 1b3x n GLY 19 Ca -0.05 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1b3x n GLY 19 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b3x n THR 20 N -0.22 0.00 -4.60 2.61 5.66 -0.53 -0.58 114.28 116.62 1b3x n THR 20 Ca -0.01 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.71 1b3x n THR 20 Cb 0.05 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.72 1b3x n THR 20 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1b3x s ILE 21 N -2.20 1.97 -0.03 1.09 -4.36 -1.22 -1.80 121.20 114.64 1b3x s ILE 21 Ca 0.00 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 1b3x s ILE 21 Cb 0.00 -2.95 0.11 0.00 1.25 0.00 0.00 42.46 40.87 1b3x s ILE 21 CO 0.00 0.00 1.31 -0.83 0.24 0.00 0.00 174.94 175.66 1b3x s GLY 22 N -3.73 -0.28 0.06 6.27 0.00 -0.92 -4.74 107.32 103.98 1b3x s GLY 22 Ca 0.34 0.39 -0.27 0.00 0.00 0.00 0.00 44.72 45.18 1b3x s GLY 22 CO 0.17 3.05 1.19 0.99 0.00 0.00 0.00 173.10 178.50 1b3x s ASP 23 N -3.42 -0.03 0.22 1.64 1.01 -1.26 -2.02 116.67 112.81 1b3x s ASP 23 Ca 0.22 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 53.04 1b3x s ASP 23 Cb 0.02 0.28 0.30 0.00 1.01 0.00 0.00 42.92 44.54 1b3x s ASP 23 CO -0.03 -0.55 1.63 -0.61 0.21 0.00 0.00 175.17 175.82 1b3x h GLN 24 N 2.00 0.03 0.77 8.23 4.15 -1.94 -2.10 115.11 126.26 1b3x h GLN 24 Ca -0.26 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1b3x h GLN 24 Cb 1.20 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1b3x h GLN 24 CO 0.31 0.02 -0.47 -0.92 -1.93 0.00 0.00 178.83 175.84 1b3x h TYR 25 N 0.03 -1.26 0.00 3.99 3.20 -1.97 -2.40 116.97 118.56 1b3x h TYR 25 Ca 0.34 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 1b3x h TYR 25 Cb 0.54 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1b3x h TYR 25 CO -0.49 -0.71 -0.14 1.79 -1.64 0.00 0.00 178.16 176.97 1b3x h THR 26 N -1.17 0.60 0.00 1.81 1.35 -1.95 0.19 112.91 113.74 1b3x h THR 26 Ca -0.10 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1b3x h THR 26 Cb 0.94 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1b3x h THR 26 CO 0.11 0.14 0.00 0.18 -0.25 0.00 0.00 175.52 175.69 1b3x n LEU 27 N -3.64 0.58 0.00 3.87 4.77 -0.80 -4.01 117.00 117.78 1b3x n LEU 27 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1b3x n LEU 27 Cb 0.27 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1b3x n LEU 27 CO 0.31 -0.19 0.12 0.35 -1.33 0.00 0.00 177.39 176.65 1b3x n THR 28 N -2.06 0.00 0.30 -5.08 -2.24 -0.88 -4.44 114.28 99.88 1b3x n THR 28 Ca 0.05 -0.27 0.19 0.00 -2.27 0.00 0.00 64.05 61.75 1b3x n THR 28 Cb 0.38 1.40 0.94 0.00 -2.10 0.00 0.00 70.33 70.95 1b3x n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1b3x h LYS 29 N 0.00 0.00 0.00 -0.78 2.10 -0.78 -3.46 116.57 113.66 1b3x h LYS 29 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1b3x h LYS 29 Cb 0.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1b3x h LYS 29 CO 0.00 0.02 0.36 0.27 -2.00 0.00 0.00 179.45 178.10 1b3x n ASN 30 N -3.20 -1.49 0.00 7.07 0.23 -1.26 -5.07 115.26 111.53 1b3x n ASN 30 Ca -0.02 -1.89 -0.11 0.00 -0.53 0.00 0.00 54.58 52.03 1b3x n ASN 30 Cb 0.18 2.45 -0.14 0.00 -2.08 0.00 0.00 39.78 40.19 1b3x n ASN 30 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1b3x h THR 31 N 1.75 0.96 -0.48 5.53 1.35 -1.95 -3.40 112.91 116.68 1b3x h THR 31 Ca -0.23 -2.76 -0.13 0.00 -0.55 0.00 0.00 66.41 62.75 1b3x h THR 31 Cb 0.92 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 1b3x h THR 31 CO 0.30 0.64 -0.21 0.11 -0.25 0.00 0.00 175.52 176.11 1b3x h LYS 32 N 0.02 0.97 0.65 4.72 1.57 -1.97 -3.07 116.57 119.45 1b3x h LYS 32 Ca -0.26 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.08 1b3x h LYS 32 Cb 1.99 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1b3x h LYS 32 CO 0.10 1.08 -0.34 -0.97 -0.57 0.00 0.00 179.45 178.75 1b3x h ASN 33 N 0.84 -0.81 0.17 0.86 -1.24 -1.87 0.21 115.58 113.74 1b3x h ASN 33 Ca 0.11 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1b3x h ASN 33 Cb 0.78 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1b3x h ASN 33 CO 0.06 -0.56 -0.19 1.55 -1.29 0.00 0.00 177.43 177.01 1b3x h PRO 34 N -0.91 0.04 -0.37 6.67 0.13 -1.77 -1.47 132.00 134.33 1b3x h PRO 34 Ca -0.09 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 1b3x h PRO 34 Cb 0.71 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1b3x h PRO 34 CO 0.13 0.24 -0.22 0.00 -0.23 0.00 0.00 178.00 177.91 1b3x h ALA 35 N 1.77 0.91 -0.29 -0.56 0.00 -1.38 -1.19 119.26 118.52 1b3x h ALA 35 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1b3x h ALA 35 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b3x h ALA 35 CO 0.03 0.62 -0.12 0.82 0.00 0.00 0.00 179.25 180.59 1b3x h ILE 36 N 0.64 1.29 -0.62 0.00 2.04 0.07 -2.17 117.51 118.76 1b3x h ILE 36 Ca 0.09 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.77 1b3x h ILE 36 Cb 0.72 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1b3x h ILE 36 CO 0.06 0.38 0.38 0.40 0.00 0.00 0.00 178.15 179.37 1b3x h ILE 37 N 0.34 1.08 -0.17 -0.67 2.04 -1.07 0.12 117.51 119.18 1b3x h ILE 37 Ca 0.07 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1b3x h ILE 37 Cb 0.63 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1b3x h ILE 37 CO 0.04 0.14 -0.46 0.11 0.00 0.00 0.00 178.15 177.98 1b3x h LYS 38 N 0.76 0.44 0.16 2.37 1.57 -1.19 -3.04 116.57 117.63 1b3x h LYS 38 Ca 0.25 -0.24 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 1b3x h LYS 38 Cb 0.01 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1b3x h LYS 38 CO -0.10 0.81 -1.77 0.00 -0.57 0.00 0.00 179.45 177.82 1b3x h ALA 39 N 1.16 0.26 -0.00 3.86 0.00 -1.09 -3.42 119.26 120.02 1b3x h ALA 39 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1b3x h ALA 39 Cb 0.94 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1b3x h ALA 39 CO 0.08 1.13 -0.34 -0.25 0.00 0.00 0.00 179.25 179.86 1b3x n ASP 40 N -3.52 0.94 -4.30 0.00 8.00 0.00 -4.64 116.55 113.03 1b3x n ASP 40 Ca -0.25 -0.97 -0.22 0.00 0.71 0.00 0.00 54.79 54.06 1b3x n ASP 40 Cb 1.06 0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 42.75 1b3x n ASP 40 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b3x s PHE 41 N -1.68 1.76 0.00 1.24 0.08 -1.15 -2.52 117.98 115.70 1b3x s PHE 41 Ca 0.07 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1b3x s PHE 41 Cb 0.08 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1b3x s PHE 41 CO 0.34 0.25 0.99 0.41 -0.10 0.00 0.00 175.22 177.12 1b3x n GLY 42 N 0.69 2.95 3.30 4.36 0.00 -0.61 -4.70 105.19 111.18 1b3x n GLY 42 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1b3x n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b3x s GLN 43 N -0.99 0.84 -0.01 1.61 -0.44 -1.26 -1.66 119.66 117.75 1b3x s GLN 43 Ca 0.00 -0.31 0.01 0.00 -2.50 0.00 0.00 55.36 52.56 1b3x s GLN 43 Cb 0.00 0.37 0.00 0.00 -1.64 0.00 0.00 33.01 31.75 1b3x s GLN 43 CO 0.00 -0.27 -0.03 -0.51 0.50 0.00 0.00 175.29 174.98 1b3x s LEU 44 N -1.78 1.85 -0.09 3.68 1.43 0.27 -1.45 118.68 122.59 1b3x s LEU 44 Ca -0.08 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1b3x s LEU 44 Cb -0.02 -0.22 -0.00 0.00 0.03 0.00 0.00 46.19 45.98 1b3x s LEU 44 CO 0.00 0.02 -0.24 -0.89 0.23 0.00 0.00 176.35 175.47 1b3x s THR 45 N 0.12 2.05 0.04 5.49 2.01 -0.75 -1.96 115.64 122.65 1b3x s THR 45 Ca -0.01 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.65 1b3x s THR 45 Cb -0.04 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 1b3x s THR 45 CO -0.00 0.56 1.44 -2.16 -0.69 0.00 0.00 174.62 173.77 1b3x s PRO 46 N 0.18 4.28 0.36 4.92 0.04 -1.26 -2.17 135.00 141.35 1b3x s PRO 46 Ca -0.14 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.01 1b3x s PRO 46 Cb -0.17 -3.50 0.69 0.00 0.04 0.00 0.00 34.50 31.57 1b3x s PRO 46 CO 0.07 -0.57 1.93 1.49 0.04 0.00 0.00 177.00 179.96 1b3x h GLU 47 N 7.68 0.48 0.00 4.56 4.81 -1.77 -3.42 114.58 126.92 1b3x h GLU 47 Ca -0.40 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1b3x h GLU 47 Cb 1.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1b3x h GLU 47 CO 0.90 0.48 0.00 0.09 -0.73 0.00 0.00 179.01 179.74 1b3x n ASN 48 N -4.33 0.00 0.27 1.04 3.02 -1.26 -4.97 115.26 109.04 1b3x n ASN 48 Ca 0.01 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.75 1b3x n ASN 48 Cb 0.20 0.00 0.97 0.00 -0.61 0.00 0.00 39.78 40.34 1b3x n ASN 48 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1b3x h SER 49 N 0.00 0.00 -0.20 6.41 4.64 -1.89 -2.66 113.55 119.85 1b3x h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b3x h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b3x h SER 49 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 1b3x n MET 50 N -2.80 1.99 -1.38 4.77 2.81 -1.26 -4.06 117.12 117.20 1b3x n MET 50 Ca -0.02 -1.88 -0.31 0.00 -1.81 0.00 0.00 57.70 53.68 1b3x n MET 50 Cb 0.08 -1.39 0.08 0.00 -0.71 0.00 0.00 33.22 31.28 1b3x n MET 50 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1b3x s LYS 51 N -1.39 2.32 0.22 0.03 1.02 -1.00 -3.80 119.74 117.13 1b3x s LYS 51 Ca 0.28 1.00 -0.08 0.00 0.02 0.00 0.00 55.97 57.19 1b3x s LYS 51 Cb 0.17 -1.92 0.29 0.00 -0.52 0.00 0.00 37.83 35.86 1b3x s LYS 51 CO 0.25 -1.55 1.80 2.35 -0.92 0.00 0.00 175.35 177.27 1b3x h TRP 52 N -1.05 0.68 -0.16 3.18 2.91 -1.74 -1.14 115.95 118.62 1b3x h TRP 52 Ca -0.45 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.58 1b3x h TRP 52 Cb 1.24 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1b3x h TRP 52 CO 0.56 0.29 -0.00 0.38 -1.03 0.00 0.00 178.44 178.64 1b3x h ASP 53 N 0.66 0.21 0.61 2.65 2.03 -1.70 -0.02 116.42 120.87 1b3x h ASP 53 Ca 0.33 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 1b3x h ASP 53 Cb 0.28 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1b3x h ASP 53 CO -0.22 0.26 -0.77 0.00 -1.03 0.00 0.00 179.24 177.48 1b3x n ALA 54 N -2.50 3.26 -0.06 4.15 0.00 -0.84 -3.94 120.51 120.58 1b3x n ALA 54 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1b3x n ALA 54 Cb 0.17 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 1b3x n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b3x n THR 55 N -1.93 0.77 -3.20 0.00 -2.24 -0.49 -4.51 114.28 102.67 1b3x n THR 55 Ca 0.03 -0.43 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1b3x n THR 55 Cb 0.42 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.81 1b3x n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1b3x n GLU 56 N -2.53 0.87 0.18 -0.78 2.13 -0.05 -0.97 120.64 119.49 1b3x n GLU 56 Ca -0.20 -3.34 0.13 0.00 0.66 0.00 0.00 57.16 54.42 1b3x n GLU 56 Cb 0.84 -1.33 0.70 0.00 0.27 0.00 0.00 31.44 31.92 1b3x n GLU 56 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1b3x h PRO 57 N 3.92 0.00 -4.92 5.31 0.13 -1.68 -3.42 132.00 131.34 1b3x h PRO 57 Ca 0.08 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.86 1b3x h PRO 57 Cb 0.87 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.78 1b3x h PRO 57 CO 0.49 0.00 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.70 1b3x s ASN 58 N -6.61 1.23 -0.34 1.44 0.01 -1.25 -4.92 114.94 104.50 1b3x s ASN 58 Ca -0.05 -0.52 -0.36 0.00 -0.71 0.00 0.00 52.86 51.22 1b3x s ASN 58 Cb 0.17 -0.02 -0.12 0.00 0.41 0.00 0.00 41.25 41.69 1b3x s ASN 58 CO 0.66 -0.10 2.11 -1.14 -1.51 0.00 0.00 177.10 177.12 1b3x n ARG 59 N 1.60 1.07 -0.98 -0.60 0.63 -1.26 -1.20 116.66 115.91 1b3x n ARG 59 Ca -0.21 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1b3x n ARG 59 Cb 0.55 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1b3x n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b3x n GLY 60 N 6.20 0.62 3.08 5.14 0.00 -1.26 -5.00 105.19 113.96 1b3x n GLY 60 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1b3x n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b3x s GLN 61 N -0.14 2.37 0.02 1.61 -0.21 -0.34 -5.11 119.66 117.86 1b3x s GLN 61 Ca 0.00 -1.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.08 1b3x s GLN 61 Cb 0.00 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1b3x s GLN 61 CO 0.00 -0.50 0.26 -0.06 -2.12 0.00 0.00 175.29 172.86 1b3x s PHE 62 N 1.14 3.56 -0.29 0.91 0.40 -1.26 -3.79 117.98 118.66 1b3x s PHE 62 Ca -0.06 0.51 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1b3x s PHE 62 Cb -0.19 -1.95 0.09 0.00 0.51 0.00 0.00 43.02 41.48 1b3x s PHE 62 CO -0.07 0.61 0.05 0.95 0.70 0.00 0.00 175.22 177.46 1b3x s THR 63 N -1.34 1.30 -0.22 0.64 -4.23 -0.14 -4.99 115.64 106.65 1b3x s THR 63 Ca 0.29 -1.49 0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1b3x s THR 63 Cb -0.13 -1.86 0.55 0.00 1.34 0.00 0.00 72.50 72.40 1b3x s THR 63 CO 0.18 -0.48 1.48 0.49 -0.54 0.00 0.00 174.62 175.74 1b3x n PHE 64 N 4.70 1.17 0.16 3.99 3.72 -1.26 -4.19 117.46 125.75 1b3x n PHE 64 Ca -0.04 -1.09 -0.14 0.00 -0.05 0.00 0.00 57.45 56.14 1b3x n PHE 64 Cb 0.43 -0.40 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1b3x n PHE 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1b3x h SER 65 N 1.72 -0.31 -0.30 4.37 0.87 -1.95 -1.31 113.55 116.64 1b3x h SER 65 Ca 0.09 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1b3x h SER 65 Cb 1.61 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 1b3x h SER 65 CO 0.33 -0.12 0.10 1.23 -0.53 0.00 0.00 176.83 177.84 1b3x h GLY 66 N -0.48 0.50 1.24 5.77 0.00 -1.89 -2.50 103.07 105.71 1b3x h GLY 66 Ca -0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1b3x h GLY 66 CO 0.06 0.28 0.11 1.48 0.00 0.00 0.00 176.54 178.47 1b3x h SER 67 N 0.33 0.89 -0.62 0.19 4.64 -1.70 -2.30 113.55 114.99 1b3x h SER 67 Ca 0.10 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1b3x h SER 67 Cb 0.24 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1b3x h SER 67 CO -0.00 0.88 0.40 0.44 -0.87 0.00 0.00 176.83 177.68 1b3x h ASP 68 N 0.89 0.72 -0.32 4.97 3.32 -1.10 -1.17 116.42 123.74 1b3x h ASP 68 Ca 0.19 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1b3x h ASP 68 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1b3x h ASP 68 CO 0.01 0.54 0.17 0.22 -1.72 0.00 0.00 179.24 178.45 1b3x h TYR 69 N 0.84 0.45 0.06 4.55 5.03 -1.14 0.42 116.97 127.18 1b3x h TYR 69 Ca 0.23 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1b3x h TYR 69 Cb -0.08 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.06 1b3x h TYR 69 CO -0.03 0.38 -0.03 1.25 -1.32 0.00 0.00 178.16 178.41 1b3x h LEU 70 N 0.40 -0.07 -0.49 2.82 7.12 -1.18 -0.33 115.31 123.58 1b3x h LEU 70 Ca 0.11 -0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.06 1b3x h LEU 70 Cb 0.08 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 1b3x h LEU 70 CO -0.02 0.04 0.29 0.58 -0.13 0.00 0.00 178.44 179.20 1b3x h VAL 71 N -0.17 1.05 -0.76 1.05 2.07 -1.16 -1.35 116.25 116.97 1b3x h VAL 71 Ca -0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1b3x h VAL 71 Cb 0.14 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1b3x h VAL 71 CO 0.01 0.11 0.32 0.78 0.02 0.00 0.00 177.57 178.81 1b3x h ASN 72 N 0.58 1.03 -0.16 0.57 2.35 -0.76 0.11 115.58 119.29 1b3x h ASN 72 Ca 0.20 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1b3x h ASN 72 Cb 0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1b3x h ASN 72 CO -0.09 0.90 0.02 0.15 -1.65 0.00 0.00 177.43 176.76 1b3x h PHE 73 N 1.10 0.29 -0.11 1.19 3.04 -0.62 -0.51 116.94 121.32 1b3x h PHE 73 Ca 0.26 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 1b3x h PHE 73 Cb 0.19 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1b3x h PHE 73 CO 0.02 0.46 0.06 0.00 -2.02 0.00 0.00 178.31 176.82 1b3x h ALA 74 N 0.80 0.14 -0.40 2.41 0.00 -1.04 -2.41 119.26 118.75 1b3x h ALA 74 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1b3x h ALA 74 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1b3x h ALA 74 CO 0.00 -0.31 0.08 0.37 0.00 0.00 0.00 179.25 179.40 1b3x h GLN 75 N 0.07 0.60 0.00 0.00 -0.00 -0.77 -0.11 115.11 114.88 1b3x h GLN 75 Ca 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1b3x h GLN 75 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1b3x h GLN 75 CO -0.01 0.56 0.00 0.43 0.00 0.00 0.00 178.83 179.82 1b3x n SER 76 N -4.31 0.71 -0.27 -0.69 7.64 -0.20 -3.44 113.62 113.06 1b3x n SER 76 Ca 0.02 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.61 1b3x n SER 76 Cb 0.21 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 62.72 1b3x n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1b3x n ASN 77 N -2.24 1.77 -2.87 6.43 3.02 -0.84 -5.01 115.26 115.52 1b3x n ASN 77 Ca 0.03 -2.95 -0.20 0.00 -0.03 0.00 0.00 54.58 51.43 1b3x n ASN 77 Cb 0.30 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1b3x n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b3x n GLY 78 N -1.05 -0.39 3.64 7.41 0.00 -0.90 -5.01 105.19 108.89 1b3x n GLY 78 Ca 0.13 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1b3x n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3x s LYS 79 N -5.76 3.38 0.71 1.61 -0.14 -0.11 -4.92 119.74 114.51 1b3x s LYS 79 Ca 0.35 -0.41 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 1b3x s LYS 79 Cb -0.15 -2.93 0.02 0.00 -1.68 0.00 0.00 37.83 33.09 1b3x s LYS 79 CO 0.43 0.51 1.10 -0.51 -0.76 0.00 0.00 175.35 176.11 1b3x s LEU 80 N -0.33 3.22 -0.03 3.17 1.43 -0.66 -4.33 118.68 121.16 1b3x s LEU 80 Ca 0.07 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 1b3x s LEU 80 Cb -0.12 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 1b3x s LEU 80 CO 0.02 -1.78 -0.16 -0.63 0.23 0.00 0.00 176.35 174.02 1b3x s ILE 81 N -2.63 1.33 -0.24 -0.59 1.01 -1.26 -0.57 121.20 118.25 1b3x s ILE 81 Ca 0.64 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1b3x s ILE 81 Cb -0.18 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.18 1b3x s ILE 81 CO 0.48 0.38 -0.07 -0.13 0.00 0.00 0.00 174.94 175.61 1b3x s ARG 82 N -0.19 2.92 0.36 2.79 0.52 -0.83 -0.79 118.95 123.73 1b3x s ARG 82 Ca 0.02 -0.92 -0.26 0.00 -0.52 0.00 0.00 55.73 54.05 1b3x s ARG 82 Cb -0.09 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1b3x s ARG 82 CO 0.01 -0.36 1.13 0.20 0.02 0.00 0.00 175.30 176.29 1b3x s GLY 83 N 1.35 2.91 -0.29 -3.53 0.00 0.16 -4.04 107.32 103.88 1b3x s GLY 83 Ca 0.01 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 45.53 1b3x s GLY 83 CO -0.05 1.43 0.64 -1.58 0.00 0.00 0.00 173.10 173.55 1b3x s HIS 84 N -1.37 -1.29 -0.03 1.90 5.04 -1.26 -0.98 115.29 117.30 1b3x s HIS 84 Ca 0.53 2.27 -0.05 0.00 -1.54 0.00 0.00 55.06 56.26 1b3x s HIS 84 Cb -0.30 0.76 0.01 0.00 0.04 0.00 0.00 32.58 33.09 1b3x s HIS 84 CO 0.38 -0.64 0.13 -0.08 -2.34 0.00 0.00 174.74 172.18 1b3x s THR 85 N 2.74 0.03 0.05 0.89 -1.32 -1.25 -3.64 115.64 113.15 1b3x s THR 85 Ca -0.06 -0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 59.95 1b3x s THR 85 Cb -0.11 -0.28 -0.15 0.00 -1.51 0.00 0.00 72.50 70.45 1b3x s THR 85 CO -0.19 -0.15 1.30 -0.07 -2.21 0.00 0.00 174.62 173.29 1b3x h LEU 86 N 5.32 0.54 -7.64 9.08 3.38 -1.48 -3.38 115.31 121.14 1b3x h LEU 86 Ca -0.27 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.59 1b3x h LEU 86 Cb 1.20 -0.16 -0.37 0.00 0.09 0.00 0.00 40.66 41.42 1b3x h LEU 86 CO 0.42 1.01 -0.80 -0.69 0.09 0.00 0.00 178.44 178.47 1b3x s VAL 87 N -3.99 1.06 -0.07 1.22 1.01 -0.34 -4.83 120.40 114.46 1b3x s VAL 87 Ca -0.13 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1b3x s VAL 87 Cb 0.06 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1b3x s VAL 87 CO 0.80 0.22 0.52 0.86 0.00 0.00 0.00 175.10 177.50 1b3x s TRP 88 N 1.67 -0.48 -0.51 5.22 -0.00 -1.26 -1.36 118.94 122.21 1b3x s TRP 88 Ca 0.02 0.90 0.24 0.00 -0.00 0.00 0.00 56.10 57.26 1b3x s TRP 88 Cb -0.14 0.26 0.45 0.00 -0.00 0.00 0.00 33.47 34.04 1b3x s TRP 88 CO -0.08 -0.46 1.63 1.12 -0.00 0.00 0.00 176.95 179.15 1b3x h HIS 89 N 3.79 0.00 -2.55 5.86 2.07 -1.90 -3.43 115.15 118.99 1b3x h HIS 89 Ca -0.28 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.71 1b3x h HIS 89 Cb 1.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.12 1b3x h HIS 89 CO 0.43 0.00 -0.43 0.45 -3.07 0.00 0.00 177.93 175.32 1b3x s SER 90 N -5.68 6.34 -1.59 3.10 0.15 -1.26 -4.39 113.70 110.37 1b3x s SER 90 Ca 0.08 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.79 1b3x s SER 90 Cb 0.07 -1.92 0.11 0.00 -1.71 0.00 0.00 66.02 62.57 1b3x s SER 90 CO 0.66 0.00 0.84 0.00 1.20 0.00 0.00 173.24 175.94 1b3x n GLN 91 N -0.75 -4.25 -4.29 5.44 6.02 -1.26 -4.91 117.38 113.37 1b3x n GLN 91 Ca -0.07 0.48 -0.34 0.00 -0.01 0.00 0.00 57.00 57.06 1b3x n GLN 91 Cb 0.54 -5.22 -0.14 0.00 1.02 0.00 0.00 30.24 26.44 1b3x n GLN 91 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1b3x s LEU 92 N -7.23 2.70 0.53 1.08 2.96 -1.26 -1.97 118.68 115.49 1b3x s LEU 92 Ca 0.62 -0.41 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 1b3x s LEU 92 Cb -0.32 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 1b3x s LEU 92 CO 0.88 0.06 1.12 -2.65 -1.32 0.00 0.00 176.35 174.43 1b3x n PRO 93 N 4.25 1.32 0.17 0.98 -0.02 -1.26 -4.86 135.00 135.58 1b3x n PRO 93 Ca -0.19 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1b3x n PRO 93 Cb 0.51 -2.28 0.67 0.00 -0.02 0.00 0.00 33.50 32.38 1b3x n PRO 93 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1b3x h GLY 94 N 1.13 0.00 2.00 -1.23 0.00 -1.99 -1.72 103.07 101.26 1b3x h GLY 94 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1b3x h GLY 94 CO 0.55 0.00 -0.10 0.11 0.00 0.00 0.00 176.54 177.10 1b3x h TRP 95 N 0.00 0.00 0.03 5.60 5.08 -1.91 -1.92 115.95 122.83 1b3x h TRP 95 Ca 0.09 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.06 1b3x h TRP 95 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1b3x h TRP 95 CO 0.00 0.10 -0.01 0.28 -1.28 0.00 0.00 178.44 177.53 1b3x h VAL 96 N 0.00 1.23 0.00 0.12 2.07 -1.67 -3.33 116.25 114.67 1b3x h VAL 96 Ca -0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1b3x h VAL 96 Cb 0.19 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1b3x h VAL 96 CO 0.01 0.40 0.00 0.77 0.02 0.00 0.00 177.57 178.77 1b3x h SER 97 N -0.95 0.00 0.71 0.57 4.64 -1.47 -2.21 113.55 114.84 1b3x h SER 97 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b3x h SER 97 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1b3x h SER 97 CO 0.01 0.00 -0.56 -1.54 -0.87 0.00 0.00 176.83 173.86 1b3x n SER 98 N -2.29 0.58 -4.74 4.97 3.41 -0.73 -4.89 113.62 109.93 1b3x n SER 98 Ca -0.00 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1b3x n SER 98 Cb 0.10 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1b3x n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1b3x s ILE 99 N -3.09 2.97 -0.06 -1.33 1.01 -0.83 -4.93 121.20 114.93 1b3x s ILE 99 Ca 0.08 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1b3x s ILE 99 Cb 0.15 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1b3x s ILE 99 CO 0.71 0.11 0.07 0.35 0.00 0.00 0.00 174.94 176.17 1b3x n THR 100 N 2.84 0.00 -3.12 2.92 -2.24 -1.26 -4.97 114.28 108.44 1b3x n THR 100 Ca 0.08 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 1b3x n THR 100 Cb 0.41 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1b3x n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3x s ASP 101 N -1.44 6.65 0.14 3.42 2.15 -1.26 -4.96 116.67 121.36 1b3x s ASP 101 Ca 0.00 0.79 -0.28 0.00 0.43 0.00 0.00 52.55 53.50 1b3x s ASP 101 Cb 0.01 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1b3x s ASP 101 CO 0.07 -0.30 1.59 0.50 -0.17 0.00 0.00 175.17 176.87 1b3x h LYS 102 N 7.60 -0.41 -0.24 4.34 3.64 -1.95 -0.77 116.57 128.78 1b3x h LYS 102 Ca -0.30 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1b3x h LYS 102 Cb 1.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1b3x h LYS 102 CO 0.77 -0.28 0.05 -0.91 -2.27 0.00 0.00 179.45 176.82 1b3x h ASN 103 N -0.43 0.30 -0.28 4.20 2.35 -1.94 -0.87 115.58 118.91 1b3x h ASN 103 Ca 0.10 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1b3x h ASN 103 Cb 0.60 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1b3x h ASN 103 CO -0.42 0.31 -0.29 0.74 -1.65 0.00 0.00 177.43 176.13 1b3x h THR 104 N 0.33 1.30 -0.55 2.81 2.02 -1.83 -2.05 112.91 114.95 1b3x h THR 104 Ca 0.08 -1.46 -0.10 0.00 0.77 0.00 0.00 66.41 65.71 1b3x h THR 104 Cb 0.14 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1b3x h THR 104 CO -0.00 0.47 -0.04 0.25 0.37 0.00 0.00 175.52 176.56 1b3x h LEU 105 N 0.44 1.00 -0.71 2.58 5.85 -0.56 -1.46 115.31 122.44 1b3x h LEU 105 Ca 0.04 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1b3x h LEU 105 Cb 0.86 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1b3x h LEU 105 CO 0.07 1.08 0.42 0.40 -0.34 0.00 0.00 178.44 180.08 1b3x h ILE 106 N 0.89 1.20 -0.05 4.05 2.04 -1.14 0.23 117.51 124.73 1b3x h ILE 106 Ca 0.15 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1b3x h ILE 106 Cb 0.59 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1b3x h ILE 106 CO 0.04 0.21 0.03 -1.28 0.00 0.00 0.00 178.15 177.15 1b3x h SER 107 N 0.97 0.06 -0.39 1.72 0.87 -1.10 -0.73 113.55 114.95 1b3x h SER 107 Ca 0.25 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1b3x h SER 107 Cb -0.03 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1b3x h SER 107 CO -0.05 0.09 0.25 0.58 -0.53 0.00 0.00 176.83 177.17 1b3x h VAL 108 N 0.02 1.09 -0.04 2.23 2.07 -0.93 -0.94 116.25 119.74 1b3x h VAL 108 Ca 0.02 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1b3x h VAL 108 Cb 0.04 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1b3x h VAL 108 CO -0.00 0.09 -0.07 0.25 0.02 0.00 0.00 177.57 177.86 1b3x h LEU 109 N 0.51 -0.21 -0.82 2.57 5.85 -0.38 -0.93 115.31 121.91 1b3x h LEU 109 Ca 0.14 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1b3x h LEU 109 Cb -0.05 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1b3x h LEU 109 CO -0.04 -0.10 0.26 0.11 -0.34 0.00 0.00 178.44 178.33 1b3x h LYS 110 N -0.10 1.14 -0.58 1.25 1.57 -0.95 -1.59 116.57 117.31 1b3x h LYS 110 Ca 0.04 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1b3x h LYS 110 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1b3x h LYS 110 CO -0.10 0.95 0.02 -0.97 -0.57 0.00 0.00 179.45 178.78 1b3x h ASN 111 N 1.10 0.98 -0.07 0.86 -1.24 -0.91 -0.21 115.58 116.09 1b3x h ASN 111 Ca 0.25 -0.30 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 1b3x h ASN 111 Cb 0.26 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1b3x h ASN 111 CO -0.01 1.04 0.02 -0.74 -1.29 0.00 0.00 177.43 176.44 1b3x h HIS 112 N 0.90 0.10 -0.19 0.67 2.76 -0.93 0.12 115.15 118.58 1b3x h HIS 112 Ca 0.17 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1b3x h HIS 112 Cb 0.52 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1b3x h HIS 112 CO 0.04 0.25 0.12 0.82 -1.30 0.00 0.00 177.93 177.86 1b3x h ILE 113 N -0.08 1.06 -0.23 6.26 2.04 -1.21 -2.16 117.51 123.19 1b3x h ILE 113 Ca 0.02 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1b3x h ILE 113 Cb 0.20 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1b3x h ILE 113 CO -0.00 0.06 0.13 0.74 0.00 0.00 0.00 178.15 179.08 1b3x h THR 114 N 0.25 1.10 -0.23 -0.27 2.02 -0.95 -0.66 112.91 114.17 1b3x h THR 114 Ca 0.07 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1b3x h THR 114 Cb -0.01 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1b3x h THR 114 CO -0.01 0.10 -0.03 0.74 0.37 0.00 0.00 175.52 176.69 1b3x h THR 115 N 0.27 1.27 -0.41 3.16 2.02 -0.92 0.14 112.91 118.44 1b3x h THR 115 Ca 0.08 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1b3x h THR 115 Cb 0.04 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1b3x h THR 115 CO -0.01 0.30 0.02 0.58 0.37 0.00 0.00 175.52 176.77 1b3x h VAL 116 N 0.16 1.26 -0.37 3.16 2.07 -1.38 -2.59 116.25 118.56 1b3x h VAL 116 Ca 0.06 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.45 1b3x h VAL 116 Cb 0.46 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1b3x h VAL 116 CO 0.02 0.33 -0.37 0.24 0.02 0.00 0.00 177.57 177.81 1b3x h MET 117 N 0.55 0.87 -0.57 1.57 2.07 -1.11 -3.14 114.93 115.16 1b3x h MET 117 Ca 0.12 -0.44 -0.05 0.00 -2.07 0.00 0.00 59.70 57.26 1b3x h MET 117 Cb 0.45 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 1b3x h MET 117 CO 0.02 1.08 0.17 1.15 1.07 0.00 0.00 176.91 180.40 1b3x h THR 118 N 0.71 1.23 -0.19 2.22 2.02 -0.93 -1.03 112.91 116.94 1b3x h THR 118 Ca 0.06 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1b3x h THR 118 Cb 0.94 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1b3x h THR 118 CO 0.09 0.30 0.11 -0.09 0.37 0.00 0.00 175.52 176.30 1b3x h ARG 119 N 0.84 0.26 -0.09 6.66 2.43 -1.41 -2.57 114.38 120.49 1b3x h ARG 119 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1b3x h ARG 119 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1b3x h ARG 119 CO -0.01 0.19 -0.07 0.66 -1.51 0.00 0.00 179.97 179.23 1b3x n TYR 120 N -4.49 0.32 -1.69 2.20 4.01 -1.05 -5.05 117.16 111.41 1b3x n TYR 120 Ca -0.00 -1.08 -0.53 0.00 -0.16 0.00 0.00 57.90 56.13 1b3x n TYR 120 Cb 0.09 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.83 1b3x n TYR 120 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1b3x n LYS 121 N -1.15 1.57 -0.06 -0.72 4.81 -0.42 -0.87 118.16 121.33 1b3x n LYS 121 Ca 0.19 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1b3x n LYS 121 Cb 0.74 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1b3x n LYS 121 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b3x n GLY 122 N 4.05 1.41 0.17 3.14 0.00 -1.26 -4.87 105.19 107.84 1b3x n GLY 122 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1b3x n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b3x n LYS 123 N -2.00 1.59 -3.75 1.61 5.02 -0.05 -4.95 118.16 115.64 1b3x n LYS 123 Ca 0.00 -0.38 -0.36 0.00 -2.02 0.00 0.00 58.31 55.55 1b3x n LYS 123 Cb 0.00 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 1b3x n LYS 123 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b3x s ILE 124 N -2.31 4.95 -0.02 -0.18 -1.09 -1.24 -4.49 121.20 116.82 1b3x s ILE 124 Ca 0.10 0.04 -0.26 0.00 -2.23 0.00 0.00 60.65 58.30 1b3x s ILE 124 Cb 0.13 -3.31 -0.20 0.00 -1.58 0.00 0.00 42.46 37.50 1b3x s ILE 124 CO 0.57 0.35 1.26 0.22 -1.23 0.00 0.00 174.94 176.10 1b3x h TYR 125 N 7.73 0.02 -3.62 3.97 3.20 -1.32 -3.38 116.97 123.57 1b3x h TYR 125 Ca -0.37 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.33 1b3x h TYR 125 Cb 1.18 -0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.22 1b3x h TYR 125 CO 0.67 0.51 -0.57 0.00 -1.64 0.00 0.00 178.16 177.13 1b3x s ALA 126 N -4.21 -0.19 -0.12 1.82 0.00 -1.12 -1.21 121.76 116.72 1b3x s ALA 126 Ca -0.16 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1b3x s ALA 126 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1b3x s ALA 126 CO 0.68 -0.16 -0.23 -1.58 0.00 0.00 0.00 175.76 174.47 1b3x s TRP 127 N -1.05 2.61 -0.92 0.00 0.52 -0.22 0.39 118.94 120.28 1b3x s TRP 127 Ca -0.11 -1.18 -0.23 0.00 0.02 0.00 0.00 56.10 54.60 1b3x s TRP 127 Cb -0.07 -1.76 0.06 0.00 -1.15 0.00 0.00 33.47 30.55 1b3x s TRP 127 CO 0.01 -0.50 1.33 -0.51 0.02 0.00 0.00 176.95 177.30 1b3x s ASP 128 N 0.55 6.42 0.08 2.95 1.01 -0.15 -1.42 116.67 126.11 1b3x s ASP 128 Ca -0.13 -1.28 -0.21 0.00 0.71 0.00 0.00 52.55 51.64 1b3x s ASP 128 Cb -0.17 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.12 1b3x s ASP 128 CO 0.04 -1.51 1.60 0.58 0.21 0.00 0.00 175.17 176.08 1b3x h VAL 129 N 6.44 1.17 -3.97 -1.27 2.07 -1.48 -2.12 116.25 117.10 1b3x h VAL 129 Ca 0.05 -0.54 -0.64 0.00 0.82 0.00 0.00 66.70 66.40 1b3x h VAL 129 Cb 1.03 1.23 -0.31 0.00 -1.52 0.00 0.00 31.29 31.71 1b3x h VAL 129 CO 1.33 0.17 -0.87 -0.76 0.02 0.00 0.00 177.57 177.46 1b3x s LEU 130 N -9.78 2.01 -0.08 2.57 1.43 -1.18 -1.20 118.68 112.44 1b3x s LEU 130 Ca -0.14 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1b3x s LEU 130 Cb 0.07 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1b3x s LEU 130 CO 0.70 0.21 -0.16 0.21 0.23 0.00 0.00 176.35 177.54 1b3x s ASN 131 N -0.08 2.27 -1.25 2.29 2.47 -0.47 -1.05 114.94 119.12 1b3x s ASN 131 Ca -0.04 -0.40 -0.11 0.00 0.42 0.00 0.00 52.86 52.74 1b3x s ASN 131 Cb -0.13 -1.04 -0.01 0.00 -1.45 0.00 0.00 41.25 38.63 1b3x s ASN 131 CO 0.03 0.07 0.65 -0.62 -3.72 0.00 0.00 177.10 173.51 1b3x n GLU 132 N 3.78 -2.46 -0.14 0.43 1.02 -0.14 -4.53 120.64 118.60 1b3x n GLU 132 Ca -0.21 0.46 0.10 0.00 -0.02 0.00 0.00 57.16 57.49 1b3x n GLU 132 Cb 0.52 -4.42 0.29 0.00 -0.02 0.00 0.00 31.44 27.82 1b3x n GLU 132 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1b3x n ILE 133 N -4.27 0.37 -4.37 -3.67 -5.35 -1.26 -4.88 119.36 95.93 1b3x n ILE 133 Ca -0.20 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.47 1b3x n ILE 133 Cb 0.64 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.95 1b3x n ILE 133 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b3x s PHE 134 N -1.63 2.79 0.57 4.28 0.08 -1.26 0.37 117.98 123.17 1b3x s PHE 134 Ca 0.33 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 57.20 1b3x s PHE 134 Cb 0.18 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1b3x s PHE 134 CO 0.26 0.39 0.90 -0.80 -0.10 0.00 0.00 175.22 175.86 1b3x s ASN 135 N -1.81 5.90 0.54 1.36 0.01 0.84 -4.66 114.94 117.11 1b3x s ASN 135 Ca 0.19 0.93 0.22 0.00 -0.71 0.00 0.00 52.86 53.48 1b3x s ASN 135 Cb -0.11 -2.02 1.39 0.00 0.41 0.00 0.00 41.25 40.91 1b3x s ASN 135 CO 0.11 -0.89 2.09 -0.33 -1.51 0.00 0.00 177.10 176.56 1b3x h GLU 136 N -0.10 0.00 -0.02 -0.60 4.39 -1.98 -0.85 114.58 115.42 1b3x h GLU 136 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1b3x h GLU 136 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1b3x h GLU 136 CO 0.61 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.06 1b3x n ASP 137 N -4.36 0.28 0.00 1.42 5.75 -1.26 -2.36 116.55 116.02 1b3x n ASP 137 Ca 0.03 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1b3x n ASP 137 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1b3x n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b3x n GLY 138 N 0.90 0.77 3.89 6.12 0.00 -0.32 -4.65 105.19 111.90 1b3x n GLY 138 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1b3x n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3x s SER 139 N -2.68 5.58 0.09 1.61 1.04 -1.26 -4.65 113.70 113.44 1b3x s SER 139 Ca 0.00 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 1b3x s SER 139 Cb 0.00 -1.96 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 1b3x s SER 139 CO 0.00 -1.22 1.16 -0.76 0.98 0.00 0.00 173.24 173.40 1b3x s LEU 140 N -5.26 4.40 0.21 2.42 1.43 -1.26 -0.11 118.68 120.50 1b3x s LEU 140 Ca 0.57 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 55.38 1b3x s LEU 140 Cb -0.11 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1b3x s LEU 140 CO 0.51 -0.40 1.50 -0.60 0.23 0.00 0.00 176.35 177.59 1b3x s ARG 141 N 0.67 4.24 -1.44 1.70 3.52 0.16 -4.70 118.95 123.09 1b3x s ARG 141 Ca 0.56 2.32 -0.14 0.00 -0.13 0.00 0.00 55.73 58.34 1b3x s ARG 141 Cb -0.29 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1b3x s ARG 141 CO 0.31 -0.51 2.19 0.09 -0.81 0.00 0.00 175.30 176.57 1b3x n ASN 142 N 3.13 3.98 -4.62 -2.12 3.02 -1.26 -4.64 115.26 112.76 1b3x n ASN 142 Ca 0.10 -2.86 -0.25 0.00 -0.03 0.00 0.00 54.58 51.54 1b3x n ASN 142 Cb 0.39 -1.65 0.11 0.00 -0.61 0.00 0.00 39.78 38.03 1b3x n ASN 142 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b3x s SER 143 N 3.07 4.21 0.30 6.41 1.04 -1.26 -4.78 113.70 122.69 1b3x s SER 143 Ca 0.47 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 1b3x s SER 143 Cb 0.13 -0.40 0.48 0.00 0.10 0.00 0.00 66.02 66.33 1b3x s SER 143 CO -0.08 -1.97 1.93 1.62 0.98 0.00 0.00 173.24 175.72 1b3x h VAL 144 N -0.78 1.12 -0.14 5.02 3.04 -1.92 0.19 116.25 122.77 1b3x h VAL 144 Ca -0.41 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1b3x h VAL 144 Cb 1.27 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 1b3x h VAL 144 CO 0.45 0.20 0.07 -0.26 -1.01 0.00 0.00 177.57 177.02 1b3x h PHE 145 N 1.08 0.20 -0.27 3.17 0.04 -1.94 0.95 116.94 120.17 1b3x h PHE 145 Ca 0.37 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 61.08 1b3x h PHE 145 Cb 0.09 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1b3x h PHE 145 CO -0.00 0.22 -0.02 -0.92 -0.60 0.00 0.00 178.31 176.99 1b3x h TYR 146 N 0.12 0.53 -0.24 -0.55 3.20 -1.67 -1.20 116.97 117.15 1b3x h TYR 146 Ca 0.05 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1b3x h TYR 146 Cb 0.09 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1b3x h TYR 146 CO -0.04 0.65 0.13 -0.91 -1.64 0.00 0.00 178.16 176.35 1b3x h ASN 147 N 0.25 0.30 0.12 -2.11 2.35 -0.47 -0.40 115.58 115.63 1b3x h ASN 147 Ca 0.07 -0.09 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 1b3x h ASN 147 Cb 0.45 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1b3x h ASN 147 CO 0.02 0.31 -1.07 0.58 -1.65 0.00 0.00 177.43 175.61 1b3x h VAL 148 N 0.27 1.29 0.11 2.81 2.07 -0.86 -3.40 116.25 118.54 1b3x h VAL 148 Ca 0.08 -2.46 -0.36 0.00 0.82 0.00 0.00 66.70 64.78 1b3x h VAL 148 Cb 0.07 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1b3x h VAL 148 CO -0.01 0.70 -2.00 -0.38 0.02 0.00 0.00 177.57 175.90 1b3x n ILE 149 N -4.06 1.75 -0.08 4.57 5.41 -0.46 -4.52 119.36 121.97 1b3x n ILE 149 Ca -0.19 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.89 1b3x n ILE 149 Cb 0.85 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1b3x n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b3x n GLY 150 N 1.97 -2.94 0.24 7.39 0.00 -0.16 -4.51 105.19 107.18 1b3x n GLY 150 Ca -0.31 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.80 1b3x n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b3x h GLU 151 N 0.00 0.00 0.00 1.61 4.81 -1.90 -2.16 114.58 116.94 1b3x h GLU 151 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b3x h GLU 151 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b3x h GLU 151 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.50 1b3x h ASP 152 N 0.00 0.00 0.25 1.04 3.58 -1.96 -2.49 116.42 116.84 1b3x h ASP 152 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1b3x h ASP 152 Cb 0.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1b3x h ASP 152 CO 0.00 0.00 -0.11 0.10 -2.88 0.00 0.00 179.24 176.35 1b3x h TYR 153 N 0.00 0.00 -0.17 0.28 -0.00 -1.67 -1.62 116.97 113.80 1b3x h TYR 153 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1b3x h TYR 153 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.00 1b3x h TYR 153 CO 0.00 0.11 0.04 0.28 -0.00 0.00 0.00 178.16 178.59 1b3x h VAL 154 N 0.00 1.21 -0.14 -0.90 2.07 -1.70 -0.70 116.25 116.09 1b3x h VAL 154 Ca -0.00 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1b3x h VAL 154 Cb 0.27 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1b3x h VAL 154 CO 0.01 0.20 0.06 -0.09 0.02 0.00 0.00 177.57 177.78 1b3x h ARG 155 N 0.08 0.20 -0.47 1.57 2.43 -1.57 -2.65 114.38 113.97 1b3x h ARG 155 Ca 0.05 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1b3x h ARG 155 Cb 0.27 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1b3x h ARG 155 CO 0.00 0.27 0.21 0.82 -1.51 0.00 0.00 179.97 179.77 1b3x h ILE 156 N 0.08 0.93 0.17 1.20 2.04 -1.22 -0.31 117.51 120.39 1b3x h ILE 156 Ca 0.05 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1b3x h ILE 156 Cb 0.14 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1b3x h ILE 156 CO -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.14 1b3x h ALA 157 N 1.27 -0.22 -0.64 1.87 0.00 -1.06 -1.67 119.26 118.80 1b3x h ALA 157 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1b3x h ALA 157 Cb 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1b3x h ALA 157 CO -0.17 -0.58 0.08 0.74 0.00 0.00 0.00 179.25 179.32 1b3x h PHE 158 N -0.31 1.16 -0.43 0.00 0.04 -1.36 -1.50 116.94 114.54 1b3x h PHE 158 Ca -0.02 -0.17 -0.10 0.00 2.80 0.00 0.00 57.97 60.48 1b3x h PHE 158 Cb 0.24 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1b3x h PHE 158 CO -0.04 0.98 -0.14 0.93 -0.60 0.00 0.00 178.31 179.45 1b3x h GLU 159 N 1.00 0.79 -0.25 1.51 5.08 -1.04 -0.09 114.58 121.57 1b3x h GLU 159 Ca 0.19 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1b3x h GLU 159 Cb 0.47 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1b3x h GLU 159 CO 0.02 0.89 -0.06 1.15 -1.00 0.00 0.00 179.01 180.01 1b3x h THR 160 N 0.71 1.28 -0.44 1.13 2.02 -1.18 -2.45 112.91 113.98 1b3x h THR 160 Ca 0.11 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.24 1b3x h THR 160 Cb 0.63 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1b3x h THR 160 CO 0.04 0.33 0.29 0.00 0.37 0.00 0.00 175.52 176.56 1b3x h ALA 161 N 0.77 0.56 -0.54 6.16 0.00 -1.07 -1.43 119.26 123.72 1b3x h ALA 161 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1b3x h ALA 161 Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1b3x h ALA 161 CO 0.02 0.01 0.31 -0.09 0.00 0.00 0.00 179.25 179.51 1b3x h ARG 162 N 0.60 0.60 -0.04 0.00 9.65 -0.95 -1.61 114.38 122.62 1b3x h ARG 162 Ca 0.16 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.85 1b3x h ARG 162 Cb -0.06 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1b3x h ARG 162 CO -0.04 0.39 -0.67 0.66 2.80 0.00 0.00 179.97 183.11 1b3x h SER 163 N 0.61 0.22 -0.12 -3.80 4.64 -1.18 -2.80 113.55 111.13 1b3x h SER 163 Ca 0.22 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1b3x h SER 163 Cb 0.05 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1b3x h SER 163 CO -0.11 0.83 -0.10 0.58 -0.87 0.00 0.00 176.83 177.15 1b3x h VAL 164 N 0.13 1.35 -2.54 0.95 2.07 -0.97 -3.40 116.25 113.83 1b3x h VAL 164 Ca -0.01 -1.24 -0.58 0.00 0.82 0.00 0.00 66.70 65.69 1b3x h VAL 164 Cb 1.20 1.90 -0.39 0.00 -1.52 0.00 0.00 31.29 32.49 1b3x h VAL 164 CO 0.10 0.36 -0.87 -0.62 0.02 0.00 0.00 177.57 176.55 1b3x s ASP 165 N -6.01 2.66 0.00 0.57 -1.08 -0.63 -4.87 116.67 107.30 1b3x s ASP 165 Ca -0.14 -2.37 0.11 0.00 -0.52 0.00 0.00 52.55 49.62 1b3x s ASP 165 Cb 0.05 -0.41 0.55 0.00 -1.46 0.00 0.00 42.92 41.64 1b3x s ASP 165 CO 0.73 -0.28 1.22 -0.81 0.52 0.00 0.00 175.17 176.55 1b3x n PRO 166 N 3.79 0.17 0.09 4.34 -0.04 -1.05 -2.46 135.00 139.83 1b3x n PRO 166 Ca 0.16 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1b3x n PRO 166 Cb 0.39 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1b3x n PRO 166 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1b3x h ASN 167 N 0.00 0.00 -3.41 3.54 -1.24 -1.94 -3.47 115.58 109.06 1b3x h ASN 167 Ca 0.00 -0.08 -0.54 0.00 0.71 0.00 0.00 56.30 56.38 1b3x h ASN 167 Cb 0.09 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1b3x h ASN 167 CO 0.00 0.04 -0.02 0.00 -1.29 0.00 0.00 177.43 176.16 1b3x s ALA 168 N -3.30 3.52 -0.07 1.57 0.00 -1.03 -4.91 121.76 117.54 1b3x s ALA 168 Ca 0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1b3x s ALA 168 Cb 0.11 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1b3x s ALA 168 CO 0.77 0.41 0.95 0.15 0.00 0.00 0.00 175.76 178.04 1b3x s LYS 169 N -1.99 4.46 -0.29 0.00 -0.14 -0.35 -4.92 119.74 116.51 1b3x s LYS 169 Ca 0.40 1.31 -0.16 0.00 -1.36 0.00 0.00 55.97 56.16 1b3x s LYS 169 Cb -0.15 -3.51 -0.03 0.00 -1.68 0.00 0.00 37.83 32.46 1b3x s LYS 169 CO 0.20 -0.19 0.43 -0.51 -0.76 0.00 0.00 175.35 174.52 1b3x s LEU 170 N 1.58 4.14 0.20 3.17 1.43 -1.26 -1.05 118.68 126.89 1b3x s LEU 170 Ca 0.47 0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.90 1b3x s LEU 170 Cb -0.19 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1b3x s LEU 170 CO 0.21 -0.28 -0.13 -0.31 0.23 0.00 0.00 176.35 176.06 1b3x s TYR 171 N 2.19 2.53 -0.16 0.29 1.51 -0.51 -0.39 117.35 122.81 1b3x s TYR 171 Ca 0.17 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1b3x s TYR 171 Cb -0.16 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1b3x s TYR 171 CO 0.11 0.54 -0.17 -1.50 -1.11 0.00 0.00 175.55 173.41 1b3x s ILE 172 N -1.82 2.48 0.06 2.71 2.07 -0.89 -1.20 121.20 124.61 1b3x s ILE 172 Ca 0.25 -0.83 0.07 0.00 -1.41 0.00 0.00 60.65 58.73 1b3x s ILE 172 Cb -0.08 -2.04 -0.04 0.00 0.13 0.00 0.00 42.46 40.44 1b3x s ILE 172 CO 0.14 0.52 -0.16 0.21 -1.91 0.00 0.00 174.94 173.75 1b3x s ASN 173 N 0.88 3.97 0.11 4.50 2.47 -0.21 -0.12 114.94 126.53 1b3x s ASN 173 Ca -0.05 -0.43 -0.25 0.00 0.42 0.00 0.00 52.86 52.55 1b3x s ASN 173 Cb -0.15 -0.67 0.08 0.00 -1.45 0.00 0.00 41.25 39.06 1b3x s ASN 173 CO -0.02 0.23 0.78 -0.62 -3.72 0.00 0.00 177.10 173.75 1b3x s ASP 174 N -1.70 -0.40 0.38 -4.21 -1.08 -0.73 -0.96 116.67 107.97 1b3x s ASP 174 Ca 0.16 -0.13 0.08 0.00 -0.52 0.00 0.00 52.55 52.14 1b3x s ASP 174 Cb -0.11 0.51 -0.03 0.00 -1.46 0.00 0.00 42.92 41.84 1b3x s ASP 174 CO 0.08 -0.87 0.29 -0.72 0.52 0.00 0.00 175.17 174.47 1b3x s TYR 175 N -3.46 2.75 -1.23 -5.34 1.13 -1.26 -0.72 117.35 109.22 1b3x s TYR 175 Ca 0.05 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 1b3x s TYR 175 Cb -0.02 -1.96 0.00 0.00 -1.10 0.00 0.00 41.96 38.89 1b3x s TYR 175 CO -0.07 0.07 0.00 0.09 -2.51 0.00 0.00 175.55 173.13 1b3x n ASN 176 N -1.40 -4.38 -2.73 -0.18 3.02 -1.26 -4.90 115.26 103.43 1b3x n ASN 176 Ca 0.00 -0.01 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1b3x n ASN 176 Cb 0.61 -3.54 0.02 0.00 -0.61 0.00 0.00 39.78 36.27 1b3x n ASN 176 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b3x n LEU 177 N -2.06 6.41 -0.84 3.41 4.77 -1.26 -4.56 117.00 122.87 1b3x n LEU 177 Ca -0.17 -4.98 0.10 0.00 -0.03 0.00 0.00 56.01 50.93 1b3x n LEU 177 Cb 0.63 -0.82 0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1b3x n LEU 177 CO 0.20 1.95 0.59 0.47 -1.33 0.00 0.00 177.39 179.26 1b3x n ASP 178 N -0.52 2.78 -3.69 -1.43 8.00 -1.26 -4.74 116.55 115.69 1b3x n ASP 178 Ca 0.48 -1.84 -0.13 0.00 0.71 0.00 0.00 54.79 54.01 1b3x n ASP 178 Cb 0.41 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 1b3x n ASP 178 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1b3x s SER 179 N -1.53 -0.59 0.23 -2.24 1.04 -1.26 -3.47 113.70 105.88 1b3x s SER 179 Ca 0.26 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 1b3x s SER 179 Cb 0.17 1.09 -0.10 0.00 0.10 0.00 0.00 66.02 67.27 1b3x s SER 179 CO 0.25 -0.19 1.49 0.00 0.98 0.00 0.00 173.24 175.77 1b3x s ALA 180 N 0.52 3.68 0.00 5.32 0.00 -1.26 -2.62 121.76 127.40 1b3x s ALA 180 Ca -0.02 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1b3x s ALA 180 Cb -0.04 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1b3x s ALA 180 CO -0.02 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1b3x n GLY 181 N 2.59 1.38 3.75 0.00 0.00 -1.26 -4.97 105.19 106.68 1b3x n GLY 181 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1b3x n GLY 181 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b3x s TYR 182 N -2.37 3.25 0.30 1.61 5.04 -1.08 -4.86 117.35 119.24 1b3x s TYR 182 Ca 0.00 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 55.98 1b3x s TYR 182 Cb 0.00 -3.59 0.78 0.00 0.35 0.00 0.00 41.96 39.50 1b3x s TYR 182 CO 0.00 -1.75 1.67 0.66 -1.34 0.00 0.00 175.55 174.80 1b3x h SER 183 N 4.84 0.24 -0.15 4.32 4.64 -1.91 0.59 113.55 126.12 1b3x h SER 183 Ca -0.46 0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 1b3x h SER 183 Cb 1.22 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 1b3x h SER 183 CO 0.74 -0.08 -0.18 0.50 -0.87 0.00 0.00 176.83 176.95 1b3x h LYS 184 N 0.32 0.55 -0.29 4.77 3.64 -1.73 0.41 116.57 124.24 1b3x h LYS 184 Ca 0.58 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1b3x h LYS 184 Cb 1.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1b3x h LYS 184 CO -0.59 0.71 -0.11 0.28 -2.27 0.00 0.00 179.45 177.47 1b3x h VAL 185 N 0.50 1.29 -0.70 2.00 2.07 -1.17 -0.20 116.25 120.04 1b3x h VAL 185 Ca 0.08 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1b3x h VAL 185 Cb 0.59 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1b3x h VAL 185 CO 0.04 0.37 0.36 0.78 0.02 0.00 0.00 177.57 179.15 1b3x h ASN 186 N 0.34 0.89 -0.57 0.57 2.35 -0.98 -1.04 115.58 117.13 1b3x h ASN 186 Ca 0.07 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1b3x h ASN 186 Cb 0.61 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1b3x h ASN 186 CO 0.04 0.74 -0.06 1.23 -1.65 0.00 0.00 177.43 177.73 1b3x h GLY 187 N 0.96 1.14 0.94 2.83 0.00 -0.78 -1.11 103.07 107.05 1b3x h GLY 187 Ca 0.24 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1b3x h GLY 187 CO -0.04 0.81 0.15 1.98 0.00 0.00 0.00 176.54 179.44 1b3x h MET 188 N 0.94 0.52 0.17 4.80 1.85 -0.76 -2.31 114.93 120.15 1b3x h MET 188 Ca 0.15 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1b3x h MET 188 Cb 0.63 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.58 1b3x h MET 188 CO 0.04 0.50 -0.08 0.28 -0.40 0.00 0.00 176.91 177.25 1b3x h VAL 189 N 0.43 0.90 -0.51 -5.77 2.07 -1.05 -1.68 116.25 110.64 1b3x h VAL 189 Ca 0.12 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1b3x h VAL 189 Cb 0.17 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1b3x h VAL 189 CO -0.01 0.07 0.06 0.77 0.02 0.00 0.00 177.57 178.48 1b3x h SER 190 N -0.37 0.76 -0.17 0.57 4.64 -1.24 -2.04 113.55 115.70 1b3x h SER 190 Ca -0.02 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1b3x h SER 190 Cb 0.29 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1b3x h SER 190 CO 0.04 0.79 -0.10 0.45 -0.87 0.00 0.00 176.83 177.14 1b3x h HIS 191 N 0.77 0.43 -0.78 4.77 3.86 -1.39 -2.48 115.15 120.33 1b3x h HIS 191 Ca 0.16 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1b3x h HIS 191 Cb 0.37 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1b3x h HIS 191 CO 0.02 0.70 0.40 0.28 0.86 0.00 0.00 177.93 180.19 1b3x h VAL 192 N 0.04 1.24 -0.61 2.45 2.07 -1.22 0.10 116.25 120.32 1b3x h VAL 192 Ca 0.04 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1b3x h VAL 192 Cb 0.60 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1b3x h VAL 192 CO 0.03 0.27 0.40 0.11 0.02 0.00 0.00 177.57 178.40 1b3x h LYS 193 N 1.10 0.81 -0.24 1.57 1.57 -1.34 0.19 116.57 120.23 1b3x h LYS 193 Ca 0.27 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1b3x h LYS 193 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1b3x h LYS 193 CO -0.04 0.55 0.08 -0.22 -0.57 0.00 0.00 179.45 179.25 1b3x h LYS 194 N 0.83 0.37 -0.61 3.15 3.64 -0.90 -1.57 116.57 121.48 1b3x h LYS 194 Ca 0.22 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1b3x h LYS 194 Cb -0.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1b3x h LYS 194 CO -0.05 0.43 0.05 -1.49 -2.27 0.00 0.00 179.45 176.12 1b3x h TRP 195 N 0.23 1.11 -0.33 1.91 6.55 -0.44 -1.96 115.95 123.01 1b3x h TRP 195 Ca 0.08 -0.17 -0.13 0.00 0.95 0.00 0.00 58.89 59.62 1b3x h TRP 195 Cb 0.21 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 1b3x h TRP 195 CO -0.00 0.96 -0.32 -0.07 -1.05 0.00 0.00 178.44 177.96 1b3x h LEU 196 N 0.96 0.74 -1.40 -4.49 3.38 -0.58 -0.48 115.31 113.44 1b3x h LEU 196 Ca 0.18 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1b3x h LEU 196 Cb 0.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1b3x h LEU 196 CO 0.02 1.00 -0.30 0.00 0.09 0.00 0.00 178.44 179.25 1b3x h ALA 197 N 1.04 1.41 -0.00 1.53 0.00 -1.05 -1.87 119.26 120.31 1b3x h ALA 197 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b3x h ALA 197 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1b3x h ALA 197 CO 0.07 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1b3x n ALA 198 N -2.44 2.71 -0.25 0.00 0.00 -0.76 -4.93 120.51 114.85 1b3x n ALA 198 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1b3x n ALA 198 Cb 0.36 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1b3x n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3x n GLY 199 N 1.30 0.85 3.69 0.00 0.00 -0.70 -5.04 105.19 105.27 1b3x n GLY 199 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1b3x n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b3x s ILE 200 N -2.06 3.88 -1.02 -0.61 1.01 -0.23 -4.91 121.20 117.27 1b3x s ILE 200 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.67 1b3x s ILE 200 Cb 0.00 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 1b3x s ILE 200 CO 0.00 -0.00 1.92 -0.81 0.00 0.00 0.00 174.94 176.05 1b3x n PRO 201 N 5.30 1.62 -3.64 2.79 -0.04 -1.26 -4.42 135.00 135.35 1b3x n PRO 201 Ca 0.12 -2.24 -0.40 0.00 -0.04 0.00 0.00 63.50 60.94 1b3x n PRO 201 Cb 0.44 -3.38 -0.11 0.00 -0.04 0.00 0.00 33.50 30.41 1b3x n PRO 201 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b3x s ILE 202 N 8.28 4.30 0.09 0.52 1.01 -1.26 -4.77 121.20 129.37 1b3x s ILE 202 Ca 0.63 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1b3x s ILE 202 Cb 0.06 -3.46 -0.25 0.00 0.01 0.00 0.00 42.46 38.82 1b3x s ILE 202 CO 0.13 -0.28 1.17 0.44 0.00 0.00 0.00 174.94 176.40 1b3x h ASP 203 N 8.38 0.23 -5.13 3.58 3.32 -1.07 -3.42 116.42 122.31 1b3x h ASP 203 Ca -0.24 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1b3x h ASP 203 Cb 1.09 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.47 1b3x h ASP 203 CO 0.67 1.20 -0.03 -0.83 -1.72 0.00 0.00 179.24 178.53 1b3x s GLY 204 N -4.71 0.06 -0.13 2.75 0.00 -0.66 -2.08 107.32 102.55 1b3x s GLY 204 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.31 1b3x s GLY 204 CO 0.85 -0.38 -0.15 -0.42 0.00 0.00 0.00 173.10 173.00 1b3x s ILE 205 N -3.90 2.80 -0.17 0.90 1.01 -1.08 -2.10 121.20 118.65 1b3x s ILE 205 Ca 0.12 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1b3x s ILE 205 Cb -0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1b3x s ILE 205 CO -0.01 0.53 0.04 -0.83 0.00 0.00 0.00 174.94 174.67 1b3x s GLY 206 N 0.45 1.88 -0.29 6.18 0.00 0.83 -1.83 107.32 114.53 1b3x s GLY 206 Ca -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 1b3x s GLY 206 CO 0.05 -0.01 0.02 -0.45 0.00 0.00 0.00 173.10 172.71 1b3x s SER 207 N 0.26 4.86 0.13 1.64 0.15 0.30 -1.78 113.70 119.27 1b3x s SER 207 Ca 0.03 -0.99 -0.26 0.00 0.70 0.00 0.00 55.95 55.43 1b3x s SER 207 Cb -0.13 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1b3x s SER 207 CO 0.01 -0.22 1.62 1.56 1.20 0.00 0.00 173.24 177.41 1b3x h GLN 208 N 8.10 -0.37 -3.88 5.44 4.20 -1.21 -1.01 115.11 126.38 1b3x h GLN 208 Ca -0.27 0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 1b3x h GLN 208 Cb 1.09 0.08 0.09 0.00 0.30 0.00 0.00 27.48 29.05 1b3x h GLN 208 CO 0.57 -0.25 -0.39 2.41 -0.67 0.00 0.00 178.83 180.51 1b3x n THR 209 N -5.40 -3.40 -2.97 -0.54 -1.04 -1.26 -1.06 114.28 98.61 1b3x n THR 209 Ca -0.03 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.05 61.20 1b3x n THR 209 Cb 0.31 -3.95 -0.04 0.00 -1.82 0.00 0.00 70.33 64.84 1b3x n THR 209 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1b3x s HIS 210 N -3.18 2.85 0.27 -1.42 3.76 -1.26 -3.16 115.29 113.15 1b3x s HIS 210 Ca 0.05 -0.80 0.06 0.00 -0.15 0.00 0.00 55.06 54.22 1b3x s HIS 210 Cb -0.01 -4.18 -0.03 0.00 1.11 0.00 0.00 32.58 29.48 1b3x s HIS 210 CO 0.36 -1.49 0.33 -0.51 -0.85 0.00 0.00 174.74 172.58 1b3x s LEU 211 N 3.37 4.07 0.42 0.89 1.43 -0.09 -4.91 118.68 123.85 1b3x s LEU 211 Ca 0.19 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1b3x s LEU 211 Cb -0.19 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1b3x s LEU 211 CO 0.07 -0.15 0.52 -0.83 0.23 0.00 0.00 176.35 176.19 1b3x s GLY 212 N -3.98 2.00 0.30 -3.19 0.00 -1.26 -1.57 107.32 99.61 1b3x s GLY 212 Ca 0.36 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.06 1b3x s GLY 212 CO 0.28 -1.54 1.45 0.00 0.00 0.00 0.00 173.10 173.29 1b3x s ALA 213 N -2.38 3.62 0.00 3.20 0.00 -1.23 -2.66 121.76 122.30 1b3x s ALA 213 Ca 0.53 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1b3x s ALA 213 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1b3x s ALA 213 CO 0.32 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1b3x n GLY 214 N 1.59 2.02 0.04 0.00 0.00 -1.26 -4.91 105.19 102.67 1b3x n GLY 214 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1b3x n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3x n ALA 215 N -0.70 2.61 -0.35 4.61 0.00 -1.09 -4.15 120.51 121.44 1b3x n ALA 215 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1b3x n ALA 215 Cb 0.00 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.10 1b3x n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b3x h GLY 216 N 4.99 1.34 2.00 0.00 0.00 -1.82 -3.06 103.07 106.52 1b3x h GLY 216 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1b3x h GLY 216 CO 0.00 0.46 -0.02 1.48 0.00 0.00 0.00 176.54 178.46 1b3x h SER 217 N 1.25 0.00 0.78 0.19 4.64 -1.87 -2.63 113.55 115.91 1b3x h SER 217 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1b3x h SER 217 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1b3x h SER 217 CO -0.09 0.02 -0.46 0.00 -0.87 0.00 0.00 176.83 175.43 1b3x n ALA 218 N -2.15 3.05 -0.15 5.18 0.00 -1.16 -4.14 120.51 121.14 1b3x n ALA 218 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 1b3x n ALA 218 Cb 0.13 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.62 1b3x n ALA 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b3x h VAL 219 N 0.00 1.19 -0.40 0.00 2.07 -1.50 -2.75 116.25 114.87 1b3x h VAL 219 Ca 0.00 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1b3x h VAL 219 Cb 0.62 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1b3x h VAL 219 CO 0.00 0.22 0.17 0.00 0.02 0.00 0.00 177.57 177.99 1b3x h ALA 220 N 1.49 0.49 -0.37 1.67 0.00 -1.78 -0.83 119.26 119.93 1b3x h ALA 220 Ca 0.22 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1b3x h ALA 220 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1b3x h ALA 220 CO -0.03 -0.20 -0.11 0.78 0.00 0.00 0.00 179.25 179.68 1b3x h GLY 221 N 0.36 0.70 0.95 0.00 0.00 -1.77 -1.98 103.07 101.33 1b3x h GLY 221 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1b3x h GLY 221 CO -0.16 0.47 0.17 0.00 0.00 0.00 0.00 176.54 177.03 1b3x h ALA 222 N 1.28 0.56 -0.63 3.60 0.00 -1.10 -0.49 119.26 122.49 1b3x h ALA 222 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1b3x h ALA 222 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1b3x h ALA 222 CO 0.03 0.16 0.15 -0.07 0.00 0.00 0.00 179.25 179.52 1b3x h LEU 223 N 0.55 0.94 -0.75 0.00 3.38 -1.00 0.00 115.31 118.44 1b3x h LEU 223 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1b3x h LEU 223 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1b3x h LEU 223 CO -0.01 0.91 0.34 0.78 0.09 0.00 0.00 178.44 180.55 1b3x h ASN 224 N 0.95 0.99 -0.27 -0.43 2.35 -0.96 -0.91 115.58 117.30 1b3x h ASN 224 Ca 0.20 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1b3x h ASN 224 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1b3x h ASN 224 CO 0.00 0.86 0.03 0.00 -1.65 0.00 0.00 177.43 176.67 1b3x h ALA 225 N 1.17 0.36 -0.03 -0.83 0.00 -0.63 -3.01 119.26 116.28 1b3x h ALA 225 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1b3x h ALA 225 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b3x h ALA 225 CO -0.03 0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.15 1b3x h LEU 226 N 0.26 0.04 -1.98 0.00 3.38 -0.71 -1.44 115.31 114.86 1b3x h LEU 226 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1b3x h LEU 226 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1b3x h LEU 226 CO 0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1b3x h ALA 227 N 1.89 1.00 0.00 1.53 0.00 -1.03 -2.33 119.26 120.31 1b3x h ALA 227 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b3x h ALA 227 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1b3x h ALA 227 CO 0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1b3x n SER 228 N -2.96 0.31 0.24 0.00 7.64 -0.54 -3.26 113.62 115.05 1b3x n SER 228 Ca -0.01 0.54 0.09 0.00 1.01 0.00 0.00 58.87 60.50 1b3x n SER 228 Cb 0.19 -0.62 0.62 0.00 -1.01 0.00 0.00 64.21 63.39 1b3x n SER 228 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b3x h ALA 229 N 2.71 1.45 0.00 -0.43 0.00 -1.56 -3.47 119.26 117.96 1b3x h ALA 229 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1b3x h ALA 229 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b3x h ALA 229 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1b3x n GLY 230 N -0.80 0.89 3.82 0.00 0.00 -1.20 -3.93 105.19 103.97 1b3x n GLY 230 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1b3x n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3x s THR 231 N -2.03 3.68 0.20 2.61 -4.23 -1.26 -4.96 115.64 109.65 1b3x s THR 231 Ca 0.00 0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1b3x s THR 231 Cb 0.00 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.67 1b3x s THR 231 CO 0.00 -0.71 1.77 0.50 -0.54 0.00 0.00 174.62 175.64 1b3x h LYS 232 N -0.84 1.13 -4.03 3.99 1.63 -1.67 -3.47 116.57 113.31 1b3x h LYS 232 Ca -0.45 -0.20 -0.14 0.00 -0.85 0.00 0.00 60.65 59.01 1b3x h LYS 232 Cb 1.23 -0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 32.57 1b3x h LYS 232 CO 0.58 0.91 -0.30 -1.83 -3.45 0.00 0.00 179.45 175.36 1b3x s GLU 233 N -5.57 1.46 0.17 1.90 -1.05 -0.90 -4.85 118.70 109.86 1b3x s GLU 233 Ca -0.12 -1.43 -0.04 0.00 -0.15 0.00 0.00 54.97 53.22 1b3x s GLU 233 Cb 0.15 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 1b3x s GLU 233 CO 0.83 -0.57 0.16 0.96 0.95 0.00 0.00 175.26 177.60 1b3x s ILE 234 N -3.98 0.06 0.03 1.83 -4.36 -0.14 -2.65 121.20 111.98 1b3x s ILE 234 Ca 0.29 -1.78 -0.28 0.00 -0.26 0.00 0.00 60.65 58.63 1b3x s ILE 234 Cb 0.02 -2.15 0.07 0.00 1.25 0.00 0.00 42.46 41.66 1b3x s ILE 234 CO 0.11 -0.25 0.67 0.00 0.24 0.00 0.00 174.94 175.71 1b3x s ALA 235 N -4.06 -1.71 -0.41 2.27 0.00 -0.76 -1.88 121.76 115.21 1b3x s ALA 235 Ca 0.27 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1b3x s ALA 235 Cb 0.06 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1b3x s ALA 235 CO 0.05 -0.54 0.60 0.42 0.00 0.00 0.00 175.76 176.29 1b3x s ILE 236 N -2.32 4.89 -0.09 0.00 1.01 -1.01 -0.54 121.20 123.14 1b3x s ILE 236 Ca -0.05 0.20 0.14 0.00 0.00 0.00 0.00 60.65 60.94 1b3x s ILE 236 Cb -0.00 -4.13 -0.24 0.00 0.01 0.00 0.00 42.46 38.10 1b3x s ILE 236 CO -0.01 -0.47 0.48 0.35 0.00 0.00 0.00 174.94 175.30 1b3x n THR 237 N 5.70 1.54 -2.89 2.92 -2.24 -0.38 -0.94 114.28 117.99 1b3x n THR 237 Ca -0.03 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.81 1b3x n THR 237 Cb 0.48 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 1b3x n THR 237 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3x n GLU 238 N -2.95 1.07 -2.04 -0.78 1.02 -0.23 -4.46 120.64 112.27 1b3x n GLU 238 Ca -0.22 -3.24 -0.42 0.00 -0.02 0.00 0.00 57.16 53.27 1b3x n GLU 238 Cb 1.08 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 31.07 1b3x n GLU 238 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1b3x s LEU 239 N -2.81 4.37 -0.27 -4.62 2.96 -0.14 -4.28 118.68 113.90 1b3x s LEU 239 Ca 0.32 2.50 -0.25 0.00 -0.22 0.00 0.00 54.13 56.48 1b3x s LEU 239 Cb 0.41 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.59 1b3x s LEU 239 CO -0.02 -0.74 0.82 1.51 -1.32 0.00 0.00 176.35 176.60 1b3x s ASP 240 N 1.07 -0.64 -0.09 3.68 1.47 -1.19 -0.70 116.67 120.26 1b3x s ASP 240 Ca 0.67 1.23 -0.01 0.00 1.18 0.00 0.00 52.55 55.62 1b3x s ASP 240 Cb -0.41 1.24 0.03 0.00 -0.34 0.00 0.00 42.92 43.44 1b3x s ASP 240 CO 0.32 -0.23 -0.03 -0.63 0.68 0.00 0.00 175.17 175.27 1b3x s ILE 241 N 0.28 0.69 0.14 2.11 1.01 -0.83 -0.92 121.20 123.68 1b3x s ILE 241 Ca 0.01 -0.09 -0.35 0.00 0.00 0.00 0.00 60.65 60.22 1b3x s ILE 241 Cb -0.05 -0.79 -0.15 0.00 0.01 0.00 0.00 42.46 41.48 1b3x s ILE 241 CO -0.01 0.30 1.44 0.00 0.00 0.00 0.00 174.94 176.67 1b3x n ALA 242 N 5.05 0.26 0.00 9.38 0.00 -0.61 -0.42 120.51 134.16 1b3x n ALA 242 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1b3x n ALA 242 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1b3x n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3x n GLY 243 N 2.86 3.18 4.28 0.00 0.00 -0.03 -3.54 105.19 111.93 1b3x n GLY 243 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1b3x n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3x n ALA 244 N -0.81 -1.38 -1.77 4.61 0.00 0.43 -4.91 120.51 116.69 1b3x n ALA 244 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1b3x n ALA 244 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 19.45 16.60 1b3x n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b3x s SER 245 N -3.48 5.82 0.22 0.00 1.04 -1.26 -4.45 113.70 111.60 1b3x s SER 245 Ca 0.63 2.36 -0.08 0.00 0.48 0.00 0.00 55.95 59.34 1b3x s SER 245 Cb -0.35 -2.60 0.19 0.00 0.10 0.00 0.00 66.02 63.36 1b3x s SER 245 CO 0.95 -1.16 1.87 0.28 0.98 0.00 0.00 173.24 176.17 1b3x h SER 246 N 1.65 1.03 -0.18 7.02 0.02 -1.91 -1.60 113.55 119.58 1b3x h SER 246 Ca -0.50 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.41 1b3x h SER 246 Cb 1.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1b3x h SER 246 CO 0.58 0.79 0.03 0.74 -1.14 0.00 0.00 176.83 177.83 1b3x h THR 247 N 1.18 0.90 0.01 -2.27 2.02 -1.98 0.95 112.91 113.72 1b3x h THR 247 Ca 0.31 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1b3x h THR 247 Cb -0.05 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1b3x h THR 247 CO -0.06 0.02 -0.01 0.44 0.37 0.00 0.00 175.52 176.28 1b3x h ASP 248 N 0.10 -0.01 -0.50 4.18 3.32 -1.87 -0.11 116.42 121.52 1b3x h ASP 248 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1b3x h ASP 248 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1b3x h ASP 248 CO -0.12 0.07 0.19 1.88 -1.72 0.00 0.00 179.24 179.54 1b3x h TYR 249 N -0.09 0.78 -0.37 4.55 0.05 -1.16 -1.47 116.97 119.24 1b3x h TYR 249 Ca -0.00 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 1b3x h TYR 249 Cb 0.09 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1b3x h TYR 249 CO -0.05 0.65 -0.24 0.28 -1.05 0.00 0.00 178.16 177.75 1b3x h VAL 250 N 0.68 1.27 -0.47 -2.88 2.07 -0.78 -1.25 116.25 114.90 1b3x h VAL 250 Ca 0.17 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b3x h VAL 250 Cb 0.21 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1b3x h VAL 250 CO -0.01 0.45 0.28 0.78 0.02 0.00 0.00 177.57 179.09 1b3x h ASN 251 N 0.65 0.56 -0.57 0.57 -0.26 -0.78 -0.35 115.58 115.41 1b3x h ASN 251 Ca 0.09 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 1b3x h ASN 251 Cb 0.75 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.84 1b3x h ASN 251 CO 0.06 0.46 -0.03 0.58 -1.06 0.00 0.00 177.43 177.44 1b3x h VAL 252 N 0.62 1.27 -0.58 2.81 2.07 -1.05 -0.47 116.25 120.92 1b3x h VAL 252 Ca 0.17 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1b3x h VAL 252 Cb -0.00 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1b3x h VAL 252 CO -0.03 0.42 0.16 0.58 0.02 0.00 0.00 177.57 178.72 1b3x h VAL 253 N 0.91 1.25 -0.21 2.57 2.07 -0.99 -2.60 116.25 119.24 1b3x h VAL 253 Ca 0.16 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1b3x h VAL 253 Cb 0.59 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1b3x h VAL 253 CO 0.03 0.32 -0.25 0.78 0.02 0.00 0.00 177.57 178.48 1b3x h ASN 254 N 0.83 0.40 -0.77 0.57 2.35 -0.90 -0.27 115.58 117.80 1b3x h ASN 254 Ca 0.18 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1b3x h ASN 254 Cb 0.32 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 1b3x h ASN 254 CO -0.00 0.66 0.44 0.00 -1.65 0.00 0.00 177.43 176.88 1b3x h ALA 255 N 1.38 1.06 0.10 -0.83 0.00 -0.71 -0.52 119.26 119.74 1b3x h ALA 255 Ca 0.05 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1b3x h ALA 255 Cb 0.64 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1b3x h ALA 255 CO 0.05 0.12 -0.79 0.00 0.00 0.00 0.00 179.25 178.63 1b3x h LEU 257 N -0.24 0.81 -1.79 0.00 5.85 -0.76 -2.30 115.31 116.89 1b3x h LEU 257 Ca -0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1b3x h LEU 257 Cb 1.57 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1b3x h LEU 257 CO 0.15 0.41 0.00 0.59 -0.34 0.00 0.00 178.44 179.25 1b3x n ASN 258 N -4.61 2.61 -4.10 1.25 3.02 -0.23 -4.75 115.26 108.44 1b3x n ASN 258 Ca 0.19 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 1b3x n ASN 258 Cb 0.41 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 1b3x n ASN 258 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1b3x s GLN 259 N -1.36 2.77 0.43 3.52 2.00 -0.86 -5.03 119.66 121.13 1b3x s GLN 259 Ca 0.33 -0.94 0.16 0.00 -2.00 0.00 0.00 55.36 52.92 1b3x s GLN 259 Cb 0.17 -2.62 1.07 0.00 0.80 0.00 0.00 33.01 32.43 1b3x s GLN 259 CO 0.23 -0.30 1.92 0.00 -0.50 0.00 0.00 175.29 176.64 1b3x h ALA 260 N 7.91 2.14 0.00 1.58 0.00 -1.85 -2.77 119.26 126.27 1b3x h ALA 260 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1b3x h ALA 260 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1b3x h ALA 260 CO 0.59 -0.35 0.00 0.87 0.00 0.00 0.00 179.25 180.37 1b3x h LYS 261 N 0.39 0.00 -6.38 0.00 1.57 -1.91 -3.44 116.57 106.80 1b3x h LYS 261 Ca 0.37 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.60 1b3x h LYS 261 Cb 0.87 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1b3x h LYS 261 CO -0.11 0.00 1.12 0.00 -0.57 0.00 0.00 179.45 179.88 1b3x h VAL 263 N 6.42 0.40 -1.93 0.00 -1.51 -1.66 -3.47 116.25 114.50 1b3x h VAL 263 Ca -0.27 -1.58 0.34 0.00 -1.23 0.00 0.00 66.70 63.97 1b3x h VAL 263 Cb 1.10 2.16 -0.08 0.00 -2.13 0.00 0.00 31.29 32.34 1b3x h VAL 263 CO 1.17 0.23 0.89 -0.83 -1.23 0.00 0.00 177.57 177.80 1b3x s GLY 264 N -4.35 -0.20 -0.03 5.19 0.00 -1.26 -0.40 107.32 106.26 1b3x s GLY 264 Ca 0.05 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.01 1b3x s GLY 264 CO 0.72 4.22 -0.08 -0.42 0.00 0.00 0.00 173.10 177.53 1b3x s ILE 265 N -2.11 0.74 -0.16 0.90 1.01 -1.03 -2.41 121.20 118.14 1b3x s ILE 265 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1b3x s ILE 265 Cb 0.01 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.81 1b3x s ILE 265 CO -0.02 0.24 -0.20 -0.89 0.00 0.00 0.00 174.94 174.08 1b3x s THR 266 N 0.37 2.21 -0.09 2.92 2.01 -0.12 0.33 115.64 123.27 1b3x s THR 266 Ca -0.06 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 1b3x s THR 266 Cb -0.10 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1b3x s THR 266 CO 0.01 0.54 0.54 -0.69 -0.69 0.00 0.00 174.62 174.32 1b3x s VAL 267 N 0.99 5.13 -1.22 3.82 1.01 0.26 -0.96 120.40 129.42 1b3x s VAL 267 Ca -0.03 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 1b3x s VAL 267 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1b3x s VAL 267 CO -0.05 0.32 2.34 1.87 0.00 0.00 0.00 175.10 179.58 1b3x n TRP 268 N 3.59 2.30 0.00 5.22 -0.00 0.12 -3.43 117.44 125.25 1b3x n TRP 268 Ca -0.06 -2.50 0.00 0.00 -0.00 0.00 0.00 57.50 54.94 1b3x n TRP 268 Cb 0.51 -2.13 0.00 0.00 -0.00 0.00 0.00 31.31 29.69 1b3x n TRP 268 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1b3x n GLY 269 N 3.95 3.84 0.06 5.87 0.00 -1.26 -4.74 105.19 112.92 1b3x n GLY 269 Ca 0.57 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 1b3x n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b3x n VAL 270 N -1.51 1.08 -4.43 1.61 0.31 -1.26 -4.72 118.33 109.42 1b3x n VAL 270 Ca 0.00 0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 64.26 1b3x n VAL 270 Cb 0.00 -2.12 -0.11 0.00 -0.91 0.00 0.00 33.84 30.71 1b3x n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b3x s ALA 271 N -2.93 2.93 0.28 3.52 0.00 -1.26 -2.18 121.76 122.12 1b3x s ALA 271 Ca -0.21 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1b3x s ALA 271 Cb 0.03 -1.00 0.63 0.00 0.00 0.00 0.00 23.12 22.78 1b3x s ALA 271 CO 0.31 0.62 1.61 -0.44 0.00 0.00 0.00 175.76 177.85 1b3x h ASP 272 N 4.26 -0.33 -0.06 0.00 3.32 -1.16 -1.44 116.42 121.00 1b3x h ASP 272 Ca -0.48 0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1b3x h ASP 272 Cb 1.16 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 1b3x h ASP 272 CO 0.52 -0.25 0.05 1.55 -1.72 0.00 0.00 179.24 179.40 1b3x h PRO 273 N 0.09 0.00 -0.38 3.56 0.13 -1.87 -1.94 132.00 131.59 1b3x h PRO 273 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 1b3x h PRO 273 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1b3x h PRO 273 CO -0.77 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 176.75 1b3x n ASP 274 N -4.20 2.61 -4.77 1.44 8.00 -0.55 -4.90 116.55 114.18 1b3x n ASP 274 Ca -0.02 -1.91 -0.38 0.00 0.71 0.00 0.00 54.79 53.20 1b3x n ASP 274 Cb 0.15 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1b3x n ASP 274 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b3x s SER 275 N -1.30 7.21 0.00 -2.24 0.15 -0.73 -4.92 113.70 111.87 1b3x s SER 275 Ca 0.35 1.96 0.19 0.00 0.70 0.00 0.00 55.95 59.15 1b3x s SER 275 Cb 0.19 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.80 1b3x s SER 275 CO 0.26 -0.17 1.59 -2.67 1.20 0.00 0.00 173.24 173.46 1b3x n TRP 276 N 0.58 0.00 -2.40 3.44 4.27 -1.26 -1.99 117.44 120.07 1b3x n TRP 276 Ca 0.02 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.49 1b3x n TRP 276 Cb 0.49 -0.37 0.03 0.00 -1.36 0.00 0.00 31.31 30.10 1b3x n TRP 276 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1b3x n ARG 277 N -1.37 2.74 -0.24 -2.67 1.74 -1.26 -4.94 116.66 110.66 1b3x n ARG 277 Ca 0.07 -3.88 0.25 0.00 -0.77 0.00 0.00 57.85 53.52 1b3x n ARG 277 Cb 0.18 -1.96 0.63 0.00 -1.02 0.00 0.00 32.46 30.28 1b3x n ARG 277 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b3x h SER 278 N 2.41 0.20 0.61 0.55 4.64 -1.60 -1.36 113.55 119.00 1b3x h SER 278 Ca 0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1b3x h SER 278 Cb 1.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1b3x h SER 278 CO 0.52 0.06 0.00 0.77 -0.87 0.00 0.00 176.83 177.31 1b3x h SER 279 N 0.19 0.00 -0.28 4.97 4.64 -1.89 -2.43 113.55 118.75 1b3x h SER 279 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1b3x h SER 279 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1b3x h SER 279 CO -0.11 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.31 1b3x n SER 280 N -2.30 3.17 -4.08 4.97 3.41 -0.51 -4.99 113.62 113.27 1b3x n SER 280 Ca 0.01 -1.93 -0.44 0.00 -0.26 0.00 0.00 58.87 56.25 1b3x n SER 280 Cb 0.20 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1b3x n SER 280 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1b3x n SER 281 N 1.29 -3.59 -0.53 4.04 7.64 -0.92 -0.86 113.62 120.70 1b3x n SER 281 Ca 0.16 -1.28 0.09 0.00 1.01 0.00 0.00 58.87 58.85 1b3x n SER 281 Cb 0.55 -1.77 0.31 0.00 -1.01 0.00 0.00 64.21 62.29 1b3x n SER 281 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1b3x n PRO 282 N -4.96 1.68 -3.49 1.43 -0.04 -1.26 -3.55 135.00 124.82 1b3x n PRO 282 Ca -0.14 -1.04 -0.23 0.00 -0.04 0.00 0.00 63.50 62.05 1b3x n PRO 282 Cb 0.58 -1.34 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1b3x n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b3x s LEU 283 N -1.38 2.86 0.26 1.53 1.43 -1.26 -1.97 118.68 120.15 1b3x s LEU 283 Ca 0.28 -1.08 0.23 0.00 -1.03 0.00 0.00 54.13 52.54 1b3x s LEU 283 Cb 0.15 -1.35 0.28 0.00 0.03 0.00 0.00 46.19 45.29 1b3x s LEU 283 CO 0.22 -1.25 1.37 -0.07 0.23 0.00 0.00 176.35 176.85 1b3x h LEU 284 N 0.45 0.00 -8.81 1.79 3.38 -1.86 -3.46 115.31 106.80 1b3x h LEU 284 Ca -0.33 -0.05 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 1b3x h LEU 284 Cb 1.30 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.80 1b3x h LEU 284 CO 0.49 0.02 -0.86 -0.36 0.09 0.00 0.00 178.44 177.83 1b3x s PHE 285 N -3.24 2.39 0.00 1.13 0.40 -0.93 -0.84 117.98 116.89 1b3x s PHE 285 Ca 0.05 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1b3x s PHE 285 Cb 0.09 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1b3x s PHE 285 CO 0.72 0.17 0.00 -0.40 0.70 0.00 0.00 175.22 176.40 1b3x n ASP 286 N 1.69 0.00 0.32 1.36 5.68 -0.51 -0.83 116.55 124.25 1b3x n ASP 286 Ca -0.17 -0.96 0.19 0.00 -0.50 0.00 0.00 54.79 53.35 1b3x n ASP 286 Cb 0.52 0.00 1.02 0.00 -1.14 0.00 0.00 41.12 41.52 1b3x n ASP 286 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1b3x h GLY 287 N 0.00 0.00 -2.70 6.12 0.00 -1.95 0.22 103.07 104.76 1b3x h GLY 287 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b3x h GLY 287 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1b3x n ASN 288 N -3.16 4.25 -2.78 0.19 3.02 -1.26 -4.93 115.26 110.59 1b3x n ASN 288 Ca -0.02 -2.24 -0.21 0.00 -0.03 0.00 0.00 54.58 52.07 1b3x n ASN 288 Cb 0.21 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1b3x n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1b3x n TYR 289 N 1.23 -1.58 -4.27 3.10 4.02 0.77 -4.99 117.16 115.44 1b3x n TYR 289 Ca 0.24 0.30 -0.31 0.00 -0.01 0.00 0.00 57.90 58.11 1b3x n TYR 289 Cb 0.74 -4.09 -0.09 0.00 -0.02 0.00 0.00 39.34 35.89 1b3x n TYR 289 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1b3x s ASN 290 N -2.43 4.90 0.29 7.72 0.01 -1.26 -4.84 114.94 119.34 1b3x s ASN 290 Ca 0.18 -0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 1b3x s ASN 290 Cb -0.08 -1.18 -0.12 0.00 0.41 0.00 0.00 41.25 40.28 1b3x s ASN 290 CO 0.22 0.24 1.60 -2.65 -1.51 0.00 0.00 177.10 175.00 1b3x n PRO 291 N 1.09 2.70 -2.51 -0.60 -0.02 -1.26 -1.42 135.00 132.97 1b3x n PRO 291 Ca -0.13 0.96 -0.23 0.00 -2.02 0.00 0.00 63.50 62.07 1b3x n PRO 291 Cb 0.52 -2.74 0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1b3x n PRO 291 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1b3x s LYS 292 N -0.50 1.94 0.23 -0.52 1.02 -0.02 -4.84 119.74 117.05 1b3x s LYS 292 Ca 0.64 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 55.70 1b3x s LYS 292 Cb -0.50 -2.33 0.32 0.00 -0.52 0.00 0.00 37.83 34.81 1b3x s LYS 292 CO 0.48 -1.26 1.82 0.00 -0.92 0.00 0.00 175.35 175.48 1b3x h ALA 293 N -0.42 1.07 -0.65 5.17 0.00 -1.91 -2.33 119.26 120.19 1b3x h ALA 293 Ca -0.39 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1b3x h ALA 293 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1b3x h ALA 293 CO 0.46 0.13 0.43 0.00 0.00 0.00 0.00 179.25 180.27 1b3x h ALA 294 N 1.40 1.74 -0.22 0.00 0.00 -1.90 -0.55 119.26 119.73 1b3x h ALA 294 Ca 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1b3x h ALA 294 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b3x h ALA 294 CO -0.21 0.16 0.12 -0.92 0.00 0.00 0.00 179.25 178.40 1b3x h TYR 295 N 0.68 0.30 -0.39 0.00 5.03 -1.65 0.15 116.97 121.09 1b3x h TYR 295 Ca 0.27 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.48 1b3x h TYR 295 Cb 0.22 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1b3x h TYR 295 CO -0.00 0.28 -0.14 -0.91 -1.32 0.00 0.00 178.16 176.07 1b3x h ASN 296 N 0.24 0.69 -0.45 -2.11 2.35 -1.38 -1.80 115.58 113.12 1b3x h ASN 296 Ca 0.08 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1b3x h ASN 296 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1b3x h ASN 296 CO -0.01 0.85 0.29 0.00 -1.65 0.00 0.00 177.43 176.91 1b3x h ALA 297 N 1.22 0.58 -0.38 -0.83 0.00 -0.70 0.12 119.26 119.27 1b3x h ALA 297 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b3x h ALA 297 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1b3x h ALA 297 CO 0.04 0.04 0.22 0.82 0.00 0.00 0.00 179.25 180.37 1b3x h ILE 298 N 0.61 1.13 -0.56 0.00 2.04 -0.69 -1.51 117.51 118.53 1b3x h ILE 298 Ca 0.17 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1b3x h ILE 298 Cb -0.05 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1b3x h ILE 298 CO -0.03 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.61 1b3x h ALA 299 N 1.09 0.71 0.00 1.87 0.00 -0.74 -1.96 119.26 120.24 1b3x h ALA 299 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b3x h ALA 299 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1b3x h ALA 299 CO -0.02 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1b3x n ASN 300 N -4.68 0.33 0.05 0.00 5.03 0.37 -2.41 115.26 113.95 1b3x n ASN 300 Ca 0.03 0.56 0.12 0.00 0.87 0.00 0.00 54.58 56.17 1b3x n ASN 300 Cb 0.03 -0.64 0.15 0.00 -1.02 0.00 0.00 39.78 38.30 1b3x n ASN 300 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b3x n ALA 301 N -1.63 3.04 0.73 5.41 0.00 -0.59 -5.08 120.51 122.39 1b3x n ALA 301 Ca 0.04 -0.28 0.09 0.00 0.00 0.00 0.00 53.44 53.28 1b3x n ALA 301 Cb 0.26 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1b3x n ALA 301 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78