#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6y s ILE 3 N 0.00 -0.04 -0.05 2.46 1.10 -1.26 -2.04 121.20 121.36 3i6y s ILE 3 Ca 0.00 0.06 -0.02 0.00 -0.51 0.00 0.00 60.65 60.17 3i6y s ILE 3 Cb 0.00 -0.77 0.04 0.00 0.15 0.00 0.00 42.46 41.87 3i6y s ILE 3 CO 0.00 0.02 0.10 -0.70 -2.11 0.00 0.00 174.94 172.25 3i6y s GLU 4 N 1.55 -0.01 -0.19 3.50 2.12 -0.07 -5.01 118.70 120.58 3i6y s GLU 4 Ca -0.10 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.34 3i6y s GLU 4 Cb -0.07 -0.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.96 3i6y s GLU 4 CO -0.16 -0.27 1.40 1.21 -0.54 0.00 0.00 175.26 176.91 3i6y s ASN 5 N 1.86 6.72 -0.12 -1.70 2.47 -1.26 -1.23 114.94 121.67 3i6y s ASN 5 Ca -0.00 1.64 0.08 0.00 0.42 0.00 0.00 52.86 55.00 3i6y s ASN 5 Cb -0.12 -2.54 -0.24 0.00 -1.45 0.00 0.00 41.25 36.91 3i6y s ASN 5 CO -0.04 -0.97 0.36 0.18 -3.72 0.00 0.00 177.10 172.91 3i6y n LEU 6 N 7.31 1.35 -3.57 3.21 4.77 0.14 -4.98 117.00 125.21 3i6y n LEU 6 Ca 0.16 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3i6y n LEU 6 Cb 0.45 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3i6y n LEU 6 CO 0.60 0.59 0.25 -0.94 -1.33 0.00 0.00 177.39 176.56 3i6y s SER 7 N -6.23 -0.38 -0.25 -1.43 1.04 -1.18 -4.98 113.70 100.29 3i6y s SER 7 Ca -0.14 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 3i6y s SER 7 Cb 0.07 0.50 0.14 0.00 0.10 0.00 0.00 66.02 66.83 3i6y s SER 7 CO 0.79 -0.81 0.47 -0.55 0.98 0.00 0.00 173.24 174.12 3i6y s SER 8 N -2.42 -0.44 -0.12 7.02 0.15 -1.26 -1.89 113.70 114.73 3i6y s SER 8 Ca -0.01 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.38 3i6y s SER 8 Cb 0.00 1.57 0.02 0.00 -1.71 0.00 0.00 66.02 65.90 3i6y s SER 8 CO -0.08 -0.26 -0.16 0.20 1.20 0.00 0.00 173.24 174.14 3i6y s ASN 9 N 2.68 2.60 0.27 5.45 0.01 0.46 -5.00 114.94 121.40 3i6y s ASN 9 Ca 0.09 -0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 51.48 3i6y s ASN 9 Cb -0.14 -1.16 -0.10 0.00 0.41 0.00 0.00 41.25 40.25 3i6y s ASN 9 CO -0.17 0.00 1.47 -0.75 -1.51 0.00 0.00 177.10 176.15 3i6y s LYS 10 N 1.10 4.23 -0.15 -0.60 2.20 -1.26 -0.98 119.74 124.29 3i6y s LYS 10 Ca -0.03 2.37 -0.04 0.00 -0.36 0.00 0.00 55.97 57.90 3i6y s LYS 10 Cb -0.14 -3.08 0.07 0.00 -1.51 0.00 0.00 37.83 33.16 3i6y s LYS 10 CO -0.04 -0.46 0.23 0.45 -0.36 0.00 0.00 175.35 175.17 3i6y s SER 11 N 0.33 0.72 -1.53 1.43 0.15 0.30 -4.85 113.70 110.26 3i6y s SER 11 Ca 0.59 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.50 3i6y s SER 11 Cb -0.43 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 3i6y s SER 11 CO 0.45 -0.27 0.28 0.49 1.20 0.00 0.00 173.24 175.40 3i6y n PHE 12 N 5.34 -1.46 -0.56 3.44 3.72 -1.26 -0.84 117.46 125.83 3i6y n PHE 12 Ca -0.06 0.69 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 3i6y n PHE 12 Cb 0.50 -3.15 0.00 0.00 -0.94 0.00 0.00 39.48 35.89 3i6y n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i6y n GLY 13 N -2.13 1.08 0.00 1.37 0.00 -1.26 -4.63 105.19 99.61 3i6y n GLY 13 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3i6y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6y n GLY 14 N -2.00 5.60 2.91 -0.02 0.00 -0.02 -4.23 105.19 107.43 3i6y n GLY 14 Ca 0.00 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 3i6y n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i6y s TRP 15 N 1.22 0.89 -0.26 1.61 0.52 -0.17 -0.54 118.94 122.21 3i6y s TRP 15 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 56.10 55.67 3i6y s TRP 15 Cb 0.00 -0.76 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 3i6y s TRP 15 CO 0.00 -0.22 0.49 -1.58 0.02 0.00 0.00 176.95 175.66 3i6y s HIS 16 N 0.94 3.27 -0.02 -1.98 5.65 -0.15 -0.62 115.29 122.39 3i6y s HIS 16 Ca -0.10 0.61 0.04 0.00 0.25 0.00 0.00 55.06 55.85 3i6y s HIS 16 Cb -0.14 -2.69 -0.01 0.00 -1.18 0.00 0.00 32.58 28.56 3i6y s HIS 16 CO 0.00 -0.25 -0.13 0.15 -0.65 0.00 0.00 174.74 173.86 3i6y s LYS 17 N 2.19 1.15 -0.11 2.88 1.02 -0.13 -0.41 119.74 126.33 3i6y s LYS 17 Ca 0.20 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.70 3i6y s LYS 17 Cb -0.16 -1.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 3i6y s LYS 17 CO 0.09 0.25 0.01 -0.65 -0.92 0.00 0.00 175.35 174.14 3i6y s GLN 18 N -0.18 3.24 0.11 1.68 -0.21 -0.79 -0.63 119.66 122.86 3i6y s GLN 18 Ca 0.03 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.09 3i6y s GLN 18 Cb -0.07 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 3i6y s GLN 18 CO -0.00 0.59 -0.19 0.71 -2.12 0.00 0.00 175.29 174.28 3i6y s TYR 19 N -0.57 1.70 0.13 0.91 2.02 0.10 0.23 117.35 121.88 3i6y s TYR 19 Ca 0.10 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.43 3i6y s TYR 19 Cb -0.12 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3i6y s TYR 19 CO 0.02 0.20 -0.03 0.45 -1.57 0.00 0.00 175.55 174.62 3i6y s SER 20 N -2.01 4.73 0.15 2.29 0.15 -0.37 -1.64 113.70 116.99 3i6y s SER 20 Ca 0.07 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 3i6y s SER 20 Cb -0.09 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.24 3i6y s SER 20 CO 0.04 0.14 0.46 -1.38 1.20 0.00 0.00 173.24 173.70 3i6y s HIS 21 N -1.47 -0.21 -0.32 3.44 -3.43 -1.26 -0.89 115.29 111.14 3i6y s HIS 21 Ca 0.25 -0.11 -0.20 0.00 -0.80 0.00 0.00 55.06 54.20 3i6y s HIS 21 Cb -0.10 0.32 -0.00 0.00 -1.43 0.00 0.00 32.58 31.37 3i6y s HIS 21 CO 0.17 -0.78 0.63 0.08 -2.00 0.00 0.00 174.74 172.84 3i6y s VAL 22 N -3.82 4.92 -0.11 -5.38 1.01 -0.86 -4.33 120.40 111.83 3i6y s VAL 22 Ca 0.05 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.51 3i6y s VAL 22 Cb 0.01 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3i6y s VAL 22 CO -0.09 -0.21 0.89 -0.55 0.00 0.00 0.00 175.10 175.14 3i6y s SER 23 N 1.70 7.10 0.16 3.32 0.15 0.44 -4.95 113.70 121.63 3i6y s SER 23 Ca 0.25 1.35 0.05 0.00 0.70 0.00 0.00 55.95 58.30 3i6y s SER 23 Cb -0.15 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3i6y s SER 23 CO 0.13 -0.36 1.37 -0.55 1.20 0.00 0.00 173.24 175.04 3i6y h ASN 24 N 7.11 0.12 1.21 5.45 7.08 -1.96 -1.00 115.58 133.60 3i6y h ASN 24 Ca -0.33 -0.11 -0.15 0.00 -3.08 0.00 0.00 56.30 52.63 3i6y h ASN 24 Cb 1.16 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.34 3i6y h ASN 24 CO 0.82 0.95 -0.81 0.71 -2.08 0.00 0.00 177.43 177.02 3i6y h THR 25 N 0.04 1.07 0.00 6.14 1.35 -1.95 -3.32 112.91 116.24 3i6y h THR 25 Ca -0.03 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3i6y h THR 25 Cb 1.55 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.47 3i6y h THR 25 CO 0.13 0.61 -1.28 0.18 -0.25 0.00 0.00 175.52 174.90 3i6y n LEU 26 N -3.21 0.42 -3.72 3.87 4.77 -1.24 -4.64 117.00 113.24 3i6y n LEU 26 Ca -0.01 -0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 55.46 3i6y n LEU 26 Cb 0.82 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.94 3i6y n LEU 26 CO 0.43 0.10 -0.10 0.59 -1.33 0.00 0.00 177.39 177.08 3i6y n ASN 27 N -1.74 -2.69 -3.62 -1.43 3.02 -0.38 -4.41 115.26 104.01 3i6y n ASN 27 Ca 0.00 -0.92 -0.07 0.00 -0.03 0.00 0.00 54.58 53.56 3i6y n ASN 27 Cb 0.36 -3.69 -0.02 0.00 -0.61 0.00 0.00 39.78 35.82 3i6y n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i6y s ALA 29 N -3.32 1.71 -0.18 0.00 0.00 -1.26 -0.42 121.76 118.30 3i6y s ALA 29 Ca 0.08 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 3i6y s ALA 29 Cb -0.01 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.39 3i6y s ALA 29 CO -0.04 -2.91 0.53 1.03 0.00 0.00 0.00 175.76 174.37 3i6y s ARG 31 N -5.84 0.65 0.06 0.00 0.52 -1.26 -4.39 118.95 108.69 3i6y s ARG 31 Ca 0.75 0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 56.56 3i6y s ARG 31 Cb -0.04 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.74 3i6y s ARG 31 CO 0.54 -0.09 0.14 -0.59 0.02 0.00 0.00 175.30 175.32 3i6y s PHE 32 N 0.12 0.18 0.17 -0.53 -0.12 -0.65 -2.61 117.98 114.53 3i6y s PHE 32 Ca -0.01 -0.53 0.10 0.00 -0.05 0.00 0.00 56.93 56.44 3i6y s PHE 32 Cb -0.04 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 3i6y s PHE 32 CO 0.01 -0.44 -0.20 0.00 -0.05 0.00 0.00 175.22 174.54 3i6y s ALA 33 N -3.15 2.62 0.01 1.99 0.00 -0.40 -0.72 121.76 122.12 3i6y s ALA 33 Ca -0.00 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.45 3i6y s ALA 33 Cb 0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3i6y s ALA 33 CO -0.07 0.49 -0.07 -1.50 0.00 0.00 0.00 175.76 174.60 3i6y s ILE 34 N -1.48 0.54 -0.20 0.00 2.07 0.20 -0.53 121.20 121.79 3i6y s ILE 34 Ca 0.20 -0.48 -0.03 0.00 -1.41 0.00 0.00 60.65 58.94 3i6y s ILE 34 Cb -0.09 -0.49 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 3i6y s ILE 34 CO 0.10 0.02 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.61 3i6y s TYR 35 N -0.44 2.91 -0.21 3.50 5.04 0.13 -0.96 117.35 127.33 3i6y s TYR 35 Ca -0.00 -1.02 -0.09 0.00 -2.44 0.00 0.00 57.07 53.52 3i6y s TYR 35 Cb -0.04 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 3i6y s TYR 35 CO -0.00 -0.55 0.10 -0.51 -1.34 0.00 0.00 175.55 173.25 3i6y s LEU 36 N 1.29 3.94 0.86 6.97 1.43 0.20 -1.34 118.68 132.04 3i6y s LEU 36 Ca 0.03 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3i6y s LEU 36 Cb -0.14 -2.02 0.11 0.00 0.03 0.00 0.00 46.19 44.17 3i6y s LEU 36 CO -0.04 0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.64 3i6y s PRO 37 N 0.64 1.53 0.39 1.29 0.04 -1.26 -1.00 135.00 136.62 3i6y s PRO 37 Ca 0.05 0.37 0.12 0.00 0.04 0.00 0.00 61.00 61.58 3i6y s PRO 37 Cb -0.13 -1.88 0.92 0.00 0.04 0.00 0.00 34.50 33.45 3i6y s PRO 37 CO 0.01 -1.95 1.90 -1.35 0.04 0.00 0.00 177.00 175.65 3i6y h PRO 38 N -1.32 0.56 -0.67 0.56 0.11 -1.81 -1.46 132.00 127.96 3i6y h PRO 38 Ca -0.49 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.75 3i6y h PRO 38 Cb 1.31 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3i6y h PRO 38 CO 0.62 0.37 0.46 1.96 -0.21 0.00 0.00 178.00 181.20 3i6y h GLN 39 N 0.57 0.21 0.00 1.05 7.50 -1.91 -0.89 115.11 121.65 3i6y h GLN 39 Ca 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.54 3i6y h GLN 39 Cb 0.75 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.23 3i6y h GLN 39 CO -0.16 0.14 0.00 0.00 -1.50 0.00 0.00 178.83 177.31 3i6y h ALA 40 N 1.68 1.00 -0.14 3.87 0.00 -1.48 -2.12 119.26 122.07 3i6y h ALA 40 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i6y h ALA 40 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i6y h ALA 40 CO -0.07 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.61 3i6y n SER 41 N -2.32 2.33 -0.01 0.00 7.64 -0.34 -4.20 113.62 116.72 3i6y n SER 41 Ca -0.00 -1.79 0.09 0.00 1.01 0.00 0.00 58.87 58.19 3i6y n SER 41 Cb 0.12 -0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.11 3i6y n SER 41 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i6y n THR 42 N 0.78 0.00 0.00 0.44 -2.24 -0.80 -4.98 114.28 107.49 3i6y n THR 42 Ca 0.17 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3i6y n THR 42 Cb 0.46 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3i6y n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6y n GLY 43 N 1.43 1.53 3.76 3.38 0.00 -1.25 -5.10 105.19 108.93 3i6y n GLY 43 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3i6y n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y s ALA 44 N -2.17 2.76 -0.38 4.61 0.00 -1.21 -5.02 121.76 120.34 3i6y s ALA 44 Ca 0.00 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 3i6y s ALA 44 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3i6y s ALA 44 CO 0.00 -1.05 0.24 0.15 0.00 0.00 0.00 175.76 175.10 3i6y s LYS 45 N -3.01 2.95 0.26 0.00 1.02 -1.26 -4.45 119.74 115.24 3i6y s LYS 45 Ca 0.71 -1.01 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 3i6y s LYS 45 Cb -0.32 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 3i6y s LYS 45 CO 0.37 -0.68 0.52 0.14 -0.92 0.00 0.00 175.35 174.78 3i6y s VAL 46 N 1.61 5.04 0.76 3.17 -7.23 -0.72 -4.12 120.40 118.91 3i6y s VAL 46 Ca 0.03 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.17 3i6y s VAL 46 Cb -0.19 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.10 3i6y s VAL 46 CO 0.08 -0.24 1.11 -2.16 -0.31 0.00 0.00 175.10 173.59 3i6y s PRO 47 N -3.33 2.39 -0.11 4.82 0.04 -1.26 -0.63 135.00 136.91 3i6y s PRO 47 Ca 0.44 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.94 3i6y s PRO 47 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3i6y s PRO 47 CO 0.28 -1.37 -0.18 0.08 0.04 0.00 0.00 177.00 175.85 3i6y s VAL 48 N -3.33 1.73 -0.32 -0.36 1.01 -0.91 -1.01 120.40 117.21 3i6y s VAL 48 Ca 0.60 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 3i6y s VAL 48 Cb -0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3i6y s VAL 48 CO 0.52 0.49 0.26 -0.22 0.00 0.00 0.00 175.10 176.14 3i6y s LEU 49 N 0.82 4.35 -0.04 3.92 2.96 0.55 -0.90 118.68 130.33 3i6y s LEU 49 Ca -0.09 -0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.32 3i6y s LEU 49 Cb -0.16 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 3i6y s LEU 49 CO 0.00 -0.20 0.83 -0.31 -1.32 0.00 0.00 176.35 175.35 3i6y s TYR 50 N 1.81 3.61 -0.14 5.38 1.51 0.09 -1.24 117.35 128.36 3i6y s TYR 50 Ca 0.08 1.45 0.01 0.00 -1.01 0.00 0.00 57.07 57.60 3i6y s TYR 50 Cb -0.17 -2.96 -0.00 0.00 -0.11 0.00 0.00 41.96 38.73 3i6y s TYR 50 CO 0.11 0.03 -0.18 -0.46 -1.11 0.00 0.00 175.55 173.94 3i6y s TRP 51 N 0.97 2.73 -0.11 2.71 -0.11 0.12 -0.72 118.94 124.54 3i6y s TRP 51 Ca 0.44 -1.05 0.00 0.00 1.22 0.00 0.00 56.10 56.71 3i6y s TRP 51 Cb -0.19 -1.84 -0.02 0.00 -1.50 0.00 0.00 33.47 29.92 3i6y s TRP 51 CO 0.22 -0.46 -0.12 -0.51 -4.62 0.00 0.00 176.95 171.46 3i6y s LEU 52 N 0.69 2.81 0.42 5.86 1.43 0.44 -3.90 118.68 126.42 3i6y s LEU 52 Ca -0.08 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3i6y s LEU 52 Cb -0.16 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3i6y s LEU 52 CO 0.02 0.22 0.59 -0.44 0.23 0.00 0.00 176.35 176.96 3i6y s SER 53 N 0.04 5.74 0.45 2.29 0.01 -1.26 -2.10 113.70 118.87 3i6y s SER 53 Ca -0.04 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.09 3i6y s SER 53 Cb -0.14 -1.07 0.04 0.00 0.21 0.00 0.00 66.02 65.06 3i6y s SER 53 CO 0.04 -0.69 0.31 0.61 0.41 0.00 0.00 173.24 173.92 3i6y n GLY 54 N -1.90 0.90 3.62 3.44 0.00 -1.19 -2.79 105.19 107.27 3i6y n GLY 54 Ca 0.04 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 3i6y n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6y n LEU 55 N 0.00 2.32 0.00 0.99 4.77 -1.26 -2.05 117.00 121.77 3i6y n LEU 55 Ca 0.05 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 3i6y n LEU 55 Cb 0.19 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3i6y n LEU 55 CO 0.13 -1.07 0.00 0.35 -1.33 0.00 0.00 177.39 175.46 3i6y n THR 56 N 0.60 0.00 -1.48 -5.08 -2.24 -0.19 -5.01 114.28 100.88 3i6y n THR 56 Ca 0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 3i6y n THR 56 Cb 0.32 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3i6y n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i6y n SER 58 N -3.29 1.19 0.00 0.00 3.41 -1.26 -4.35 113.62 109.33 3i6y n SER 58 Ca 0.08 -0.90 0.01 0.00 -0.26 0.00 0.00 58.87 57.80 3i6y n SER 58 Cb 0.54 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 3i6y n SER 58 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i6y n ASP 59 N -1.62 0.00 -0.08 4.04 5.75 -1.26 -3.91 116.55 119.47 3i6y n ASP 59 Ca 0.00 -1.56 -0.10 0.00 -0.01 0.00 0.00 54.79 53.12 3i6y n ASP 59 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3i6y n ASP 59 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i6y n GLU 60 N -0.53 0.98 -0.04 0.11 1.02 -1.26 -4.37 120.64 116.55 3i6y n GLU 60 Ca 0.01 0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 3i6y n GLU 60 Cb 0.00 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3i6y n GLU 60 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i6y h ASN 61 N 0.00 -0.35 0.00 1.62 4.21 -1.97 -1.15 115.58 117.94 3i6y h ASN 61 Ca -0.41 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.19 3i6y h ASN 61 Cb 1.75 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 39.15 3i6y h ASN 61 CO -0.03 -0.14 0.00 0.33 -1.29 0.00 0.00 177.43 176.31 3i6y n PHE 62 N -5.26 0.00 0.00 1.19 7.35 -1.26 -1.02 117.46 118.45 3i6y n PHE 62 Ca -0.02 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 3i6y n PHE 62 Cb 0.18 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 39.91 3i6y n PHE 62 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i6y n GLN 64 N 0.74 0.00 -0.01 -4.13 6.02 -0.44 -0.88 117.38 118.69 3i6y n GLN 64 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3i6y n GLN 64 Cb 0.11 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.32 3i6y n GLN 64 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i6y n LYS 65 N 0.00 0.48 0.17 -1.09 5.02 -0.19 -4.66 118.16 117.89 3i6y n LYS 65 Ca 0.00 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.29 3i6y n LYS 65 Cb 0.00 -1.14 0.22 0.00 -0.02 0.00 0.00 35.03 34.09 3i6y n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6y h ALA 66 N 0.52 0.86 -2.38 7.82 0.00 -1.17 -3.43 119.26 121.46 3i6y h ALA 66 Ca -0.02 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 3i6y h ALA 66 Cb 0.38 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3i6y h ALA 66 CO 0.00 0.51 -0.30 0.41 0.00 0.00 0.00 179.25 179.87 3i6y n GLY 67 N 0.65 0.06 0.16 0.00 0.00 -1.26 -4.10 105.19 100.70 3i6y n GLY 67 Ca 0.01 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3i6y n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y h ALA 68 N 0.50 0.93 -0.45 4.61 0.00 -1.91 -3.37 119.26 119.57 3i6y h ALA 68 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3i6y h ALA 68 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3i6y h ALA 68 CO 0.29 0.00 -0.06 1.96 0.00 0.00 0.00 179.25 181.44 3i6y h GLN 69 N 0.00 0.79 0.01 0.00 7.50 -1.96 -1.73 115.11 119.72 3i6y h GLN 69 Ca 0.00 -0.24 0.03 0.00 0.50 0.00 0.00 58.65 58.94 3i6y h GLN 69 Cb 0.89 -0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.29 3i6y h GLN 69 CO 0.00 0.83 -0.28 -0.09 -1.50 0.00 0.00 178.83 177.79 3i6y h ARG 70 N 0.72 -0.42 0.00 1.46 2.43 -1.96 -0.18 114.38 116.43 3i6y h ARG 70 Ca 0.13 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 3i6y h ARG 70 Cb 0.53 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3i6y h ARG 70 CO 0.03 -0.28 -0.56 1.25 -1.51 0.00 0.00 179.97 178.90 3i6y h LEU 71 N -0.44 0.00 -0.75 3.80 6.46 -1.81 -2.36 115.31 120.21 3i6y h LEU 71 Ca 0.06 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 3i6y h LEU 71 Cb 0.52 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 3i6y h LEU 71 CO -0.24 0.41 0.16 0.00 -0.62 0.00 0.00 178.44 178.16 3i6y h ALA 72 N 1.59 0.97 -0.11 1.25 0.00 -1.12 -1.05 119.26 120.79 3i6y h ALA 72 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i6y h ALA 72 Cb 1.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i6y h ALA 72 CO 0.05 0.66 0.04 0.00 0.00 0.00 0.00 179.25 180.00 3i6y h ALA 73 N 1.12 0.14 -0.50 0.00 0.00 -0.85 0.25 119.26 119.42 3i6y h ALA 73 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i6y h ALA 73 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i6y h ALA 73 CO 0.00 -0.27 0.22 0.93 0.00 0.00 0.00 179.25 180.13 3i6y h GLU 74 N 0.01 0.70 -0.01 0.00 5.08 -1.32 -3.04 114.58 116.00 3i6y h GLU 74 Ca 0.04 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i6y h GLU 74 Cb 0.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i6y h GLU 74 CO -0.00 0.57 -0.63 1.28 -1.00 0.00 0.00 179.01 179.23 3i6y n LEU 75 N -4.36 1.54 -1.89 1.33 4.77 -0.41 -5.00 117.00 112.97 3i6y n LEU 75 Ca 0.04 -0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 3i6y n LEU 75 Cb 0.14 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3i6y n LEU 75 CO 0.38 0.31 0.09 0.61 -1.33 0.00 0.00 177.39 177.44 3i6y n GLY 76 N 1.44 0.24 3.46 -0.72 0.00 -0.05 -5.04 105.19 104.52 3i6y n GLY 76 Ca 0.08 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3i6y n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6y s ILE 77 N -3.14 3.62 0.27 -0.61 1.01 -0.44 -4.17 121.20 117.74 3i6y s ILE 77 Ca 0.17 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3i6y s ILE 77 Cb -0.08 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.74 3i6y s ILE 77 CO 0.31 0.50 0.72 0.00 0.00 0.00 0.00 174.94 176.48 3i6y s ALA 78 N 0.35 3.37 -0.07 9.38 0.00 -0.18 -4.31 121.76 130.31 3i6y s ALA 78 Ca -0.06 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.02 3i6y s ALA 78 Cb -0.15 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3i6y s ALA 78 CO 0.04 0.34 -0.18 0.42 0.00 0.00 0.00 175.76 176.37 3i6y s ILE 79 N -1.77 1.59 -0.14 0.00 1.01 -0.45 -0.33 121.20 121.11 3i6y s ILE 79 Ca 0.49 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3i6y s ILE 79 Cb -0.13 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3i6y s ILE 79 CO 0.19 0.45 -0.21 -0.69 0.00 0.00 0.00 174.94 174.68 3i6y s VAL 80 N 0.32 2.01 -0.37 2.92 1.01 -0.37 0.21 120.40 126.12 3i6y s VAL 80 Ca -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.95 3i6y s VAL 80 Cb -0.15 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3i6y s VAL 80 CO 0.05 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.78 3i6y s ALA 81 N 0.88 2.98 0.89 5.51 0.00 0.31 -0.70 121.76 131.63 3i6y s ALA 81 Ca -0.06 -2.65 -0.12 0.00 0.00 0.00 0.00 51.96 49.14 3i6y s ALA 81 Cb -0.15 -2.04 0.13 0.00 0.00 0.00 0.00 23.12 21.06 3i6y s ALA 81 CO -0.03 -1.75 1.09 -1.25 0.00 0.00 0.00 175.76 173.83 3i6y s PRO 82 N 0.75 1.29 1.10 0.00 0.04 -1.25 -1.27 135.00 135.66 3i6y s PRO 82 Ca 0.12 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 3i6y s PRO 82 Cb -0.20 -1.82 0.24 0.00 0.04 0.00 0.00 34.50 32.76 3i6y s PRO 82 CO -0.07 -2.19 1.16 0.34 0.04 0.00 0.00 177.00 176.28 3i6y s ASP 83 N -3.52 1.85 0.00 6.66 -1.08 -1.07 -4.32 116.67 115.18 3i6y s ASP 83 Ca 0.63 0.64 0.18 0.00 -0.52 0.00 0.00 52.55 53.49 3i6y s ASP 83 Cb -0.17 -0.93 -0.08 0.00 -1.46 0.00 0.00 42.92 40.28 3i6y s ASP 83 CO 0.56 -3.55 0.85 0.35 0.52 0.00 0.00 175.17 173.91 3i6y n THR 84 N -4.38 0.00 -3.67 1.71 -2.24 -1.26 -4.91 114.28 99.53 3i6y n THR 84 Ca 0.12 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3i6y n THR 84 Cb 0.59 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.93 3i6y n THR 84 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i6y s SER 85 N -2.32 -0.35 0.85 3.42 0.01 -1.26 -1.43 113.70 112.62 3i6y s SER 85 Ca 0.12 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 3i6y s SER 85 Cb 0.14 0.62 0.11 0.00 0.21 0.00 0.00 66.02 67.10 3i6y s SER 85 CO 0.57 -1.09 1.18 -2.16 0.41 0.00 0.00 173.24 172.15 3i6y s PRO 86 N -3.68 1.37 0.04 12.44 0.04 -1.26 -4.86 135.00 139.08 3i6y s PRO 86 Ca 0.08 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3i6y s PRO 86 Cb -0.03 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.76 3i6y s PRO 86 CO -0.02 -2.40 0.24 1.03 0.04 0.00 0.00 177.00 175.90 3i6y s ARG 87 N -4.36 0.75 0.00 4.56 1.81 -1.26 -4.69 118.95 115.75 3i6y s ARG 87 Ca 0.70 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 54.13 3i6y s ARG 87 Cb -0.26 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.55 3i6y s ARG 87 CO 0.54 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.34 3i6y n GLY 88 N 0.62 -1.62 3.67 -3.53 0.00 -1.26 -4.48 105.19 98.60 3i6y n GLY 88 Ca -0.19 -2.06 -0.46 0.00 0.00 0.00 0.00 46.02 43.31 3i6y n GLY 88 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i6y n GLU 89 N 0.00 2.20 -0.45 1.61 4.07 -1.26 -2.14 120.64 124.67 3i6y n GLU 89 Ca 0.00 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3i6y n GLU 89 Cb 0.00 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 28.81 3i6y n GLU 89 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i6y n GLY 90 N 3.46 1.05 3.69 8.31 0.00 -1.26 -5.03 105.19 115.41 3i6y n GLY 90 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3i6y n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6y s VAL 91 N -3.05 5.27 0.93 1.61 1.01 -0.91 -4.96 120.40 120.30 3i6y s VAL 91 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 3i6y s VAL 91 Cb 0.00 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.88 3i6y s VAL 91 CO 0.00 0.32 1.11 0.00 0.00 0.00 0.00 175.10 176.53 3i6y s ALA 92 N 0.96 1.30 0.20 5.51 0.00 -1.26 -4.86 121.76 123.61 3i6y s ALA 92 Ca 0.16 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 3i6y s ALA 92 Cb -0.14 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.66 3i6y s ALA 92 CO 0.06 -2.73 0.76 0.34 0.00 0.00 0.00 175.76 174.19 3i6y s ASP 93 N -2.84 -0.32 0.08 0.00 -1.08 -1.26 -4.40 116.67 106.84 3i6y s ASP 93 Ca 0.66 -0.37 0.05 0.00 -0.52 0.00 0.00 52.55 52.37 3i6y s ASP 93 Cb -0.22 0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 41.83 3i6y s ASP 93 CO 0.59 -1.09 -0.14 -0.62 0.52 0.00 0.00 175.17 174.42 3i6y s ASP 94 N -2.84 1.67 0.53 -0.34 2.15 -1.25 -4.91 116.67 111.67 3i6y s ASP 94 Ca 0.08 -0.64 0.30 0.00 0.43 0.00 0.00 52.55 52.73 3i6y s ASP 94 Cb -0.03 -0.05 1.47 0.00 -0.30 0.00 0.00 42.92 44.01 3i6y s ASP 94 CO -0.00 -0.09 2.05 -0.33 -0.17 0.00 0.00 175.17 176.63 3i6y h GLU 95 N 4.20 0.00 -6.92 4.34 5.08 -2.01 -3.45 114.58 115.82 3i6y h GLU 95 Ca -0.40 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.49 3i6y h GLU 95 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3i6y h GLU 95 CO 0.42 0.10 0.28 0.20 -1.00 0.00 0.00 179.01 179.01 3i6y s GLY 96 N -4.20 2.50 0.57 -3.84 0.00 -1.26 -4.95 107.32 96.13 3i6y s GLY 96 Ca -0.02 0.35 0.32 0.00 0.00 0.00 0.00 44.72 45.37 3i6y s GLY 96 CO 0.56 0.66 2.15 0.10 0.00 0.00 0.00 173.10 176.58 3i6y h TYR 97 N 2.40 0.00 -0.45 1.90 -0.00 -1.93 -3.17 116.97 115.71 3i6y h TYR 97 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3i6y h TYR 97 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3i6y h TYR 97 CO 0.62 0.06 0.00 -0.40 -0.00 0.00 0.00 178.16 178.44 3i6y n ASP 98 N -3.49 2.59 -3.67 0.10 5.75 -1.26 -4.46 116.55 112.10 3i6y n ASP 98 Ca -0.02 -1.97 -0.15 0.00 -0.01 0.00 0.00 54.79 52.64 3i6y n ASP 98 Cb 0.19 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 3i6y n ASP 98 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3i6y s LEU 99 N -1.10 0.23 0.00 -2.12 2.96 -1.20 -4.71 118.68 112.74 3i6y s LEU 99 Ca 0.33 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3i6y s LEU 99 Cb 0.18 1.77 0.00 0.00 0.50 0.00 0.00 46.19 48.64 3i6y s LEU 99 CO 0.24 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3i6y n GLY 100 N 1.29 1.40 3.77 7.98 0.00 -1.26 -3.89 105.19 114.47 3i6y n GLY 100 Ca -0.20 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3i6y n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6y s GLN 101 N 0.00 4.40 0.00 1.61 -0.21 -1.26 -1.19 119.66 123.01 3i6y s GLN 101 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 55.36 57.53 3i6y s GLN 101 Cb 0.00 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.92 3i6y s GLN 101 CO 0.00 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 3i6y n GLY 102 N 0.86 0.35 2.73 3.09 0.00 -1.26 -4.81 105.19 106.14 3i6y n GLY 102 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3i6y n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y n ALA 103 N 1.00 2.58 0.31 4.61 0.00 -0.33 -1.02 120.51 127.66 3i6y n ALA 103 Ca 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 53.44 51.63 3i6y n ALA 103 Cb 0.16 -0.89 0.65 0.00 0.00 0.00 0.00 19.45 19.36 3i6y n ALA 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6y h GLY 104 N 2.02 0.00 -0.40 0.00 0.00 -1.29 -3.37 103.07 100.03 3i6y h GLY 104 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3i6y h GLY 104 CO 0.06 0.00 -0.10 0.69 0.00 0.00 0.00 176.54 177.20 3i6y n PHE 105 N -2.56 -0.08 -3.14 5.60 3.01 -1.26 -2.92 117.46 116.12 3i6y n PHE 105 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3i6y n PHE 105 Cb 0.19 -2.04 0.01 0.00 -0.01 0.00 0.00 39.48 37.63 3i6y n PHE 105 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i6y n TYR 106 N -1.69 -1.83 -3.60 1.38 4.01 -1.26 -4.84 117.16 109.33 3i6y n TYR 106 Ca -0.05 0.45 -0.22 0.00 -0.16 0.00 0.00 57.90 57.92 3i6y n TYR 106 Cb 0.42 -3.61 -0.02 0.00 -0.31 0.00 0.00 39.34 35.83 3i6y n TYR 106 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3i6y s VAL 107 N -3.02 2.40 -0.47 -0.72 -7.23 -1.15 -3.79 120.40 106.43 3i6y s VAL 107 Ca 0.32 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 3i6y s VAL 107 Cb -0.16 -2.75 0.08 0.00 0.56 0.00 0.00 36.38 34.11 3i6y s VAL 107 CO 0.40 0.00 0.37 0.20 -0.31 0.00 0.00 175.10 175.76 3i6y s ASN 108 N -4.20 6.00 0.40 4.85 0.01 -1.26 -2.67 114.94 118.06 3i6y s ASN 108 Ca 0.46 -1.45 -0.26 0.00 -0.71 0.00 0.00 52.86 50.90 3i6y s ASN 108 Cb -0.03 -2.13 -0.09 0.00 0.41 0.00 0.00 41.25 39.42 3i6y s ASN 108 CO 0.27 -0.64 1.26 0.00 -1.51 0.00 0.00 177.10 176.48 3i6y s ALA 109 N 1.57 3.25 -0.03 0.60 0.00 0.23 -4.92 121.76 122.45 3i6y s ALA 109 Ca 0.04 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3i6y s ALA 109 Cb -0.25 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3i6y s ALA 109 CO 0.05 -0.71 0.07 0.25 0.00 0.00 0.00 175.76 175.41 3i6y n THR 110 N 0.18 0.00 -3.36 0.00 -2.24 0.46 -4.44 114.28 104.88 3i6y n THR 110 Ca 0.03 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 3i6y n THR 110 Cb 0.44 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 3i6y n THR 110 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i6y s GLN 111 N -1.96 4.17 0.42 -0.78 -1.52 -0.60 -4.78 119.66 114.61 3i6y s GLN 111 Ca -0.01 0.52 -0.24 0.00 -1.95 0.00 0.00 55.36 53.69 3i6y s GLN 111 Cb 0.02 -3.32 -0.08 0.00 -0.22 0.00 0.00 33.01 29.41 3i6y s GLN 111 CO 0.11 0.45 1.17 0.00 -0.25 0.00 0.00 175.29 176.77 3i6y s ALA 112 N -0.37 3.09 -0.75 6.09 0.00 -1.26 -0.51 121.76 128.04 3i6y s ALA 112 Ca 0.26 0.95 0.26 0.00 0.00 0.00 0.00 51.96 53.43 3i6y s ALA 112 Cb -0.17 -3.38 0.76 0.00 0.00 0.00 0.00 23.12 20.33 3i6y s ALA 112 CO 0.14 -0.57 1.70 -0.35 0.00 0.00 0.00 175.76 176.67 3i6y n PRO 113 N -0.14 0.23 -0.03 0.00 -0.04 -1.26 -4.86 135.00 128.90 3i6y n PRO 113 Ca 0.05 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 3i6y n PRO 113 Cb 0.47 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.72 3i6y n PRO 113 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i6y h TRP 114 N 0.00 0.34 -0.03 0.54 4.06 -1.68 -2.45 115.95 116.73 3i6y h TRP 114 Ca 0.00 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.97 3i6y h TRP 114 Cb 0.71 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.76 3i6y h TRP 114 CO 0.00 0.17 0.03 -2.95 -3.56 0.00 0.00 178.44 172.13 3i6y h ASN 115 N 0.33 0.00 -0.49 -3.49 -1.07 -1.01 0.07 115.58 109.91 3i6y h ASN 115 Ca 0.24 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.65 3i6y h ASN 115 Cb 0.50 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.73 3i6y h ASN 115 CO -0.06 0.00 0.33 0.03 0.07 0.00 0.00 177.43 177.80 3i6y h ARG 116 N 0.00 0.49 0.00 4.14 3.08 -1.73 -3.38 114.38 116.98 3i6y h ARG 116 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i6y h ARG 116 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3i6y h ARG 116 CO -0.00 0.32 -0.15 0.72 -1.07 0.00 0.00 179.97 179.80 3i6y n HIS 117 N -4.48 0.00 -2.44 3.04 8.25 -0.92 -4.74 115.22 113.94 3i6y n HIS 117 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3i6y n HIS 117 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3i6y n HIS 117 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i6y n TYR 118 N -0.25 3.09 -4.18 4.41 4.01 -0.04 -4.60 117.16 119.60 3i6y n TYR 118 Ca 0.00 -2.83 -0.33 0.00 -0.16 0.00 0.00 57.90 54.57 3i6y n TYR 118 Cb 0.00 -1.92 -0.15 0.00 -0.31 0.00 0.00 39.34 36.95 3i6y n TYR 118 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3i6y s GLN 119 N 0.27 3.12 0.00 -0.72 -1.52 -1.26 -0.61 119.66 118.95 3i6y s GLN 119 Ca 0.39 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 3i6y s GLN 119 Cb 0.08 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.20 3i6y s GLN 119 CO 0.01 -0.16 0.00 0.98 -0.25 0.00 0.00 175.29 175.87 3i6y n TYR 121 N 4.53 0.00 -0.13 0.91 9.36 -1.09 -1.59 117.16 129.16 3i6y n TYR 121 Ca -0.20 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.04 3i6y n TYR 121 Cb 0.51 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.52 3i6y n TYR 121 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3i6y h ASP 122 N 0.00 0.71 0.03 2.98 3.32 -1.91 0.72 116.42 122.27 3i6y h ASP 122 Ca 0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3i6y h ASP 122 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3i6y h ASP 122 CO 0.00 0.53 -0.02 0.22 -1.72 0.00 0.00 179.24 178.26 3i6y h TYR 123 N 0.83 -0.04 -0.12 4.55 3.20 -1.66 0.12 116.97 123.85 3i6y h TYR 123 Ca 0.22 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.88 3i6y h TYR 123 Cb -0.06 0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.23 3i6y h TYR 123 CO 0.00 -0.02 -0.78 0.28 -1.64 0.00 0.00 178.16 176.00 3i6y h VAL 124 N -0.06 1.31 0.21 1.81 2.07 -1.71 0.12 116.25 120.00 3i6y h VAL 124 Ca -0.00 -2.06 -0.31 0.00 0.82 0.00 0.00 66.70 65.14 3i6y h VAL 124 Cb 0.05 2.06 0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3i6y h VAL 124 CO 0.01 0.64 -1.36 0.58 0.02 0.00 0.00 177.57 177.46 3i6y h VAL 125 N 0.44 1.30 0.00 2.57 2.07 -0.85 -3.40 116.25 118.38 3i6y h VAL 125 Ca -0.05 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 64.84 3i6y h VAL 125 Cb 1.39 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 34.13 3i6y h VAL 125 CO 0.15 0.78 -0.49 0.59 0.02 0.00 0.00 177.57 178.62 3i6y n ASN 126 N -3.78 1.42 -0.05 0.57 4.13 0.38 -4.74 115.26 113.19 3i6y n ASN 126 Ca -0.16 0.21 -0.14 0.00 1.68 0.00 0.00 54.58 56.18 3i6y n ASN 126 Cb 1.05 -0.50 -0.08 0.00 -1.54 0.00 0.00 39.78 38.72 3i6y n ASN 126 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3i6y h GLU 127 N -0.42 0.37 0.44 3.52 4.81 -1.08 -3.04 114.58 119.18 3i6y h GLU 127 Ca -0.02 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3i6y h GLU 127 Cb 0.47 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3i6y h GLU 127 CO -0.01 0.81 -0.21 1.25 -0.73 0.00 0.00 179.01 180.12 3i6y h LEU 128 N -0.03 -0.50 -1.27 1.64 5.85 -1.02 -1.54 115.31 118.43 3i6y h LEU 128 Ca 0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3i6y h LEU 128 Cb 0.78 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3i6y h LEU 128 CO 0.05 -0.25 0.44 1.55 -0.34 0.00 0.00 178.44 179.88 3i6y h PRO 129 N -0.72 0.93 -0.46 5.25 0.13 -1.76 0.64 132.00 136.00 3i6y h PRO 129 Ca -0.06 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.03 3i6y h PRO 129 Cb 0.52 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 3i6y h PRO 129 CO 0.10 0.63 0.24 0.93 -0.23 0.00 0.00 178.00 179.67 3i6y h GLU 130 N 0.95 0.47 0.34 0.86 4.39 -1.40 -1.03 114.58 119.15 3i6y h GLU 130 Ca 0.25 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 3i6y h GLU 130 Cb -0.07 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3i6y h GLU 130 CO -0.05 0.31 -0.16 1.25 -1.16 0.00 0.00 179.01 179.20 3i6y h LEU 131 N 0.48 -0.38 -0.54 1.33 5.85 -0.39 -1.37 115.31 120.30 3i6y h LEU 131 Ca 0.19 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3i6y h LEU 131 Cb 0.08 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3i6y h LEU 131 CO -0.12 -0.23 0.22 0.40 -0.34 0.00 0.00 178.44 178.37 3i6y h ILE 132 N -0.50 0.85 -0.05 4.05 1.08 -0.79 -2.23 117.51 119.92 3i6y h ILE 132 Ca -0.05 -0.14 -0.10 0.00 -0.39 0.00 0.00 64.86 64.18 3i6y h ILE 132 Cb 0.38 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3i6y h ILE 132 CO 0.08 0.08 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.83 3i6y h GLU 133 N 0.41 0.11 -0.14 2.37 5.08 -1.09 -0.84 114.58 120.49 3i6y h GLU 133 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3i6y h GLU 133 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i6y h GLU 133 CO -0.24 0.54 0.00 -1.13 -1.00 0.00 0.00 179.01 177.18 3i6y n SER 134 N -4.00 0.14 0.00 1.42 3.41 -0.53 -4.81 113.62 109.26 3i6y n SER 134 Ca -0.02 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3i6y n SER 134 Cb 0.49 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3i6y n SER 134 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i6y n PHE 136 N -0.31 0.00 -1.96 7.33 3.72 -0.32 -5.10 117.46 120.82 3i6y n PHE 136 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3i6y n PHE 136 Cb 0.03 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3i6y n PHE 136 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i6y n PRO 137 N 0.00 2.49 -4.24 -1.08 -0.04 -1.26 -4.88 135.00 125.99 3i6y n PRO 137 Ca 0.00 -2.66 -0.19 0.00 -0.04 0.00 0.00 63.50 60.61 3i6y n PRO 137 Cb 0.00 -3.37 -0.11 0.00 -0.04 0.00 0.00 33.50 29.97 3i6y n PRO 137 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i6y s VAL 138 N 5.29 1.37 0.18 0.52 -7.23 -1.26 -1.75 120.40 117.52 3i6y s VAL 138 Ca 0.55 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 3i6y s VAL 138 Cb 0.08 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.61 3i6y s VAL 138 CO 0.05 -0.32 0.25 -1.54 -0.31 0.00 0.00 175.10 173.22 3i6y n SER 139 N 0.75 0.09 -1.13 4.85 3.41 0.19 -4.73 113.62 117.06 3i6y n SER 139 Ca -0.17 -1.13 0.10 0.00 -0.26 0.00 0.00 58.87 57.41 3i6y n SER 139 Cb 0.56 -0.18 0.27 0.00 -0.26 0.00 0.00 64.21 64.60 3i6y n SER 139 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i6y n ASP 140 N -3.12 3.29 -4.72 4.04 5.75 -1.26 -4.84 116.55 115.69 3i6y n ASP 140 Ca 0.03 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.42 3i6y n ASP 140 Cb 0.12 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 3i6y n ASP 140 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3i6y s LYS 141 N -1.24 4.52 0.05 0.11 -0.14 -1.26 -5.05 119.74 116.74 3i6y s LYS 141 Ca 0.41 1.17 -0.11 0.00 -1.36 0.00 0.00 55.97 56.08 3i6y s LYS 141 Cb 0.22 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.96 3i6y s LYS 141 CO 0.29 0.10 0.24 -0.98 -0.76 0.00 0.00 175.35 174.24 3i6y s ARG 142 N 0.55 0.78 0.26 1.68 1.70 -1.26 -2.15 118.95 120.51 3i6y s ARG 142 Ca 0.44 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 55.06 3i6y s ARG 142 Cb -0.20 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 3i6y s ARG 142 CO 0.24 -0.24 0.14 0.00 -1.08 0.00 0.00 175.30 174.35 3i6y s ALA 143 N -2.85 1.63 -0.07 7.88 0.00 -0.08 -0.91 121.76 127.37 3i6y s ALA 143 Ca -0.03 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 3i6y s ALA 143 Cb 0.00 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.35 3i6y s ALA 143 CO -0.05 -0.52 0.19 -1.50 0.00 0.00 0.00 175.76 173.87 3i6y s ILE 144 N -3.82 -0.00 0.18 0.00 2.07 -0.99 -0.73 121.20 117.90 3i6y s ILE 144 Ca 0.38 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.55 3i6y s ILE 144 Cb 0.06 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3i6y s ILE 144 CO 0.15 0.00 0.26 0.00 -1.91 0.00 0.00 174.94 173.45 3i6y s ALA 145 N 0.14 0.25 0.00 1.50 0.00 0.10 -1.72 121.76 122.04 3i6y s ALA 145 Ca -0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 3i6y s ALA 145 Cb -0.02 0.98 0.10 0.00 0.00 0.00 0.00 23.12 24.18 3i6y s ALA 145 CO -0.00 -0.65 1.26 0.20 0.00 0.00 0.00 175.76 176.57 3i6y s GLY 146 N -3.02 -0.22 -0.08 0.00 0.00 -1.09 -0.42 107.32 102.50 3i6y s GLY 146 Ca 0.22 0.26 0.04 0.00 0.00 0.00 0.00 44.72 45.24 3i6y s GLY 146 CO 0.04 3.08 -0.20 -1.58 0.00 0.00 0.00 173.10 174.43 3i6y s HIS 147 N -2.21 2.14 0.00 1.90 5.65 -0.89 -1.03 115.29 120.85 3i6y s HIS 147 Ca 0.22 -0.80 0.00 0.00 0.25 0.00 0.00 55.06 54.74 3i6y s HIS 147 Cb 0.01 -1.45 0.00 0.00 -1.18 0.00 0.00 32.58 29.96 3i6y s HIS 147 CO -0.01 -0.32 0.00 0.45 -0.65 0.00 0.00 174.74 174.21 3i6y n SER 148 N 3.46 0.00 0.00 9.88 2.88 -0.20 -2.95 113.62 126.69 3i6y n SER 148 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3i6y n SER 148 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3i6y n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i6y n GLY 150 N 0.00 0.00 0.21 0.46 0.00 -1.12 -1.45 105.19 103.29 3i6y n GLY 150 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i6y n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i6y h GLY 151 N 0.00 0.76 0.06 -0.02 0.00 -1.60 0.37 103.07 102.62 3i6y h GLY 151 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 47.33 46.65 3i6y h GLY 151 CO 0.00 0.69 -0.16 0.84 0.00 0.00 0.00 176.54 177.90 3i6y h HIS 152 N 0.44 -0.40 0.12 5.60 -0.00 -1.43 0.08 115.15 119.56 3i6y h HIS 152 Ca 0.05 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3i6y h HIS 152 Cb 0.83 0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 28.45 3i6y h HIS 152 CO 0.07 -0.25 -0.27 0.78 -0.00 0.00 0.00 177.93 178.26 3i6y h GLY 153 N -0.08 -0.51 0.99 5.26 0.00 -1.75 -0.88 103.07 106.10 3i6y h GLY 153 Ca 0.20 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3i6y h GLY 153 CO -0.47 -0.23 -0.14 0.00 0.00 0.00 0.00 176.54 175.71 3i6y h ALA 154 N 0.23 -0.39 -0.23 3.60 0.00 -0.76 -1.41 119.26 120.30 3i6y h ALA 154 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i6y h ALA 154 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i6y h ALA 154 CO -0.15 -0.71 0.15 -0.07 0.00 0.00 0.00 179.25 178.46 3i6y h LEU 155 N -0.40 0.26 -0.32 0.00 3.38 -0.90 -0.08 115.31 117.26 3i6y h LEU 155 Ca -0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3i6y h LEU 155 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3i6y h LEU 155 CO 0.07 0.20 -0.07 0.71 0.09 0.00 0.00 178.44 179.43 3i6y h THR 156 N 0.30 1.28 -0.46 0.22 1.35 -1.12 -1.29 112.91 113.19 3i6y h THR 156 Ca 0.08 -1.11 -0.02 0.00 -0.55 0.00 0.00 66.41 64.81 3i6y h THR 156 Cb -0.02 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 3i6y h THR 156 CO -0.02 0.36 0.20 0.40 -0.25 0.00 0.00 175.52 176.21 3i6y h ILE 157 N 0.39 1.20 -0.37 6.82 2.04 -1.20 -2.09 117.51 124.29 3i6y h ILE 157 Ca 0.08 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3i6y h ILE 157 Cb 0.56 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3i6y h ILE 157 CO 0.03 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.54 3i6y h ALA 158 N 1.04 0.48 -0.24 1.87 0.00 -0.88 -0.99 119.26 120.54 3i6y h ALA 158 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i6y h ALA 158 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i6y h ALA 158 CO -0.02 0.10 -0.06 -0.07 0.00 0.00 0.00 179.25 179.20 3i6y h LEU 159 N 0.45 0.35 0.00 0.00 3.38 -1.14 -2.27 115.31 116.09 3i6y h LEU 159 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i6y h LEU 159 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i6y h LEU 159 CO -0.01 0.46 -0.71 0.03 0.09 0.00 0.00 178.44 178.30 3i6y h ARG 160 N 0.36 0.00 -1.88 1.13 3.08 -1.27 -3.38 114.38 112.42 3i6y h ARG 160 Ca 0.08 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.60 3i6y h ARG 160 Cb 0.33 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.97 3i6y h ARG 160 CO 0.01 0.00 -0.90 0.09 -1.07 0.00 0.00 179.97 178.11 3i6y n ASN 161 N -2.10 3.05 0.21 7.04 3.02 -0.39 -4.95 115.26 121.14 3i6y n ASN 161 Ca 0.03 -3.36 0.07 0.00 -0.03 0.00 0.00 54.58 51.28 3i6y n ASN 161 Cb 0.44 -0.55 0.57 0.00 -0.61 0.00 0.00 39.78 39.63 3i6y n ASN 161 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i6y h PRO 162 N 2.91 0.09 0.00 3.52 0.13 -1.62 0.07 132.00 137.11 3i6y h PRO 162 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3i6y h PRO 162 Cb 0.81 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3i6y h PRO 162 CO 0.69 0.10 0.00 0.93 -0.23 0.00 0.00 178.00 179.49 3i6y h GLU 163 N 0.09 0.00 0.00 0.86 4.39 -1.92 -3.24 114.58 114.76 3i6y h GLU 163 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3i6y h GLU 163 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3i6y h GLU 163 CO 0.00 0.00 -1.08 0.54 -1.16 0.00 0.00 179.01 177.31 3i6y n ARG 164 N -2.64 0.52 -4.75 2.33 5.12 0.01 -4.88 116.66 112.36 3i6y n ARG 164 Ca 0.03 0.06 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 3i6y n ARG 164 Cb 0.37 -1.73 -0.17 0.00 -1.16 0.00 0.00 32.46 29.77 3i6y n ARG 164 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i6y s TYR 165 N -3.33 1.73 0.22 -1.55 2.02 -1.18 -4.56 117.35 110.70 3i6y s TYR 165 Ca 0.00 -0.66 0.17 0.00 -0.37 0.00 0.00 57.07 56.21 3i6y s TYR 165 Cb 0.11 -1.23 0.64 0.00 -0.40 0.00 0.00 41.96 41.09 3i6y s TYR 165 CO 0.80 -0.31 1.73 1.96 -1.57 0.00 0.00 175.55 178.16 3i6y h GLN 166 N 6.88 0.00 -2.21 -0.62 1.08 -1.31 -3.47 115.11 115.45 3i6y h GLN 166 Ca -0.28 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.04 3i6y h GLN 166 Cb 1.20 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.48 3i6y h GLN 166 CO 0.47 0.42 0.52 -1.54 -0.95 0.00 0.00 178.83 177.75 3i6y s SER 167 N -6.56 -0.34 -0.02 1.46 1.04 -1.26 -4.37 113.70 103.64 3i6y s SER 167 Ca -0.01 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 3i6y s SER 167 Cb 0.12 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3i6y s SER 167 CO 0.70 -0.59 0.10 0.54 0.98 0.00 0.00 173.24 174.97 3i6y s VAL 168 N -3.06 0.05 0.16 5.02 0.11 -0.49 -2.35 120.40 119.83 3i6y s VAL 168 Ca 0.05 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 3i6y s VAL 168 Cb -0.01 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 3i6y s VAL 168 CO -0.09 -0.21 0.25 -0.94 -3.33 0.00 0.00 175.10 170.79 3i6y s SER 169 N -0.67 0.08 0.06 3.54 1.04 -0.70 -2.03 113.70 115.02 3i6y s SER 169 Ca -0.07 -0.95 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 3i6y s SER 169 Cb -0.05 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3i6y s SER 169 CO 0.00 -0.88 0.43 0.00 0.98 0.00 0.00 173.24 173.77 3i6y s ALA 170 N -3.99 -1.04 -0.16 5.32 0.00 -0.26 -2.66 121.76 118.97 3i6y s ALA 170 Ca 0.19 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3i6y s ALA 170 Cb 0.04 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3i6y s ALA 170 CO 0.01 -0.51 -0.18 -0.06 0.00 0.00 0.00 175.76 175.02 3i6y s PHE 171 N -2.79 2.76 -1.50 0.00 0.40 -0.19 -0.86 117.98 115.79 3i6y s PHE 171 Ca -0.03 -1.32 -0.10 0.00 -0.60 0.00 0.00 56.93 54.88 3i6y s PHE 171 Cb -0.00 -1.89 0.07 0.00 0.51 0.00 0.00 43.02 41.71 3i6y s PHE 171 CO -0.05 -0.63 0.84 0.43 0.70 0.00 0.00 175.22 176.52 3i6y n SER 172 N 4.30 -3.42 -4.75 1.36 7.64 -0.35 -1.03 113.62 117.37 3i6y n SER 172 Ca -0.20 -0.84 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 3i6y n SER 172 Cb 0.51 -3.67 0.03 0.00 -1.01 0.00 0.00 64.21 60.07 3i6y n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i6y s PRO 173 N -6.54 3.16 -0.77 1.43 0.04 -1.26 -2.55 135.00 128.52 3i6y s PRO 173 Ca 0.48 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 63.32 3i6y s PRO 173 Cb -0.24 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 3i6y s PRO 173 CO 0.85 -1.12 1.70 0.42 0.04 0.00 0.00 177.00 178.89 3i6y s ILE 174 N -1.41 3.54 0.14 0.56 1.01 -0.83 -4.61 121.20 119.60 3i6y s ILE 174 Ca 0.72 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.37 3i6y s ILE 174 Cb -0.36 -4.33 -0.19 0.00 0.01 0.00 0.00 42.46 37.59 3i6y s ILE 174 CO 0.42 -1.27 1.31 0.78 0.00 0.00 0.00 174.94 176.17 3i6y h ASN 175 N 12.23 0.19 -2.06 3.58 4.21 -1.39 -3.39 115.58 128.96 3i6y h ASN 175 Ca -0.11 -0.18 -0.53 0.00 1.21 0.00 0.00 56.30 56.69 3i6y h ASN 175 Cb 1.08 -0.06 -0.40 0.00 -1.12 0.00 0.00 38.32 37.81 3i6y h ASN 175 CO 1.26 1.06 -1.02 -3.20 -1.29 0.00 0.00 177.43 174.23 3i6y n ASN 176 N -3.54 1.47 0.24 5.81 4.05 -1.26 -1.36 115.26 120.67 3i6y n ASN 176 Ca -0.03 -3.05 0.08 0.00 0.45 0.00 0.00 54.58 52.02 3i6y n ASN 176 Cb 0.89 -0.62 0.58 0.00 1.23 0.00 0.00 39.78 41.85 3i6y n ASN 176 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i6y h PRO 177 N 3.44 0.00 -0.05 1.20 0.13 -1.87 0.12 132.00 134.97 3i6y h PRO 177 Ca 0.11 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3i6y h PRO 177 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3i6y h PRO 177 CO 0.57 0.17 0.07 -0.39 -0.23 0.00 0.00 178.00 178.20 3i6y h VAL 178 N 0.00 0.42 -0.32 1.56 -1.51 -1.90 -2.77 116.25 111.74 3i6y h VAL 178 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 3i6y h VAL 178 Cb 0.35 0.94 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 3i6y h VAL 178 CO 0.02 0.00 0.01 0.59 -1.23 0.00 0.00 177.57 176.96 3i6y n ASN 179 N -3.70 3.50 -4.19 4.19 5.03 0.41 -4.67 115.26 115.84 3i6y n ASN 179 Ca -0.02 -3.25 -0.13 0.00 0.87 0.00 0.00 54.58 52.05 3i6y n ASN 179 Cb 0.16 -0.58 -0.10 0.00 -1.02 0.00 0.00 39.78 38.23 3i6y n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i6y h PRO 181 N 3.25 0.99 -0.12 0.00 0.11 -1.87 0.26 132.00 134.62 3i6y h PRO 181 Ca -0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i6y h PRO 181 Cb 1.18 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3i6y h PRO 181 CO 0.58 0.65 0.06 -1.49 -0.21 0.00 0.00 178.00 177.60 3i6y h TRP 182 N 1.02 0.17 -0.11 0.65 6.55 -1.92 -0.48 115.95 121.83 3i6y h TRP 182 Ca 0.29 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 60.10 3i6y h TRP 182 Cb -0.08 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.17 3i6y h TRP 182 CO -0.00 0.21 -0.01 0.78 -1.05 0.00 0.00 178.44 178.37 3i6y h GLY 183 N 0.09 0.21 0.69 1.49 0.00 -1.58 -2.61 103.07 101.36 3i6y h GLY 183 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.26 3i6y h GLY 183 CO -0.01 0.15 0.26 1.46 0.00 0.00 0.00 176.54 178.41 3i6y h GLN 184 N -0.10 0.49 -0.12 4.80 4.20 -0.80 0.17 115.11 123.76 3i6y h GLN 184 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i6y h GLN 184 Cb 0.39 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3i6y h GLN 184 CO 0.01 0.33 0.07 -0.22 -0.67 0.00 0.00 178.83 178.34 3i6y h LYS 185 N 0.51 0.16 -0.09 1.46 3.64 -1.07 -1.10 116.57 120.08 3i6y h LYS 185 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3i6y h LYS 185 Cb 0.16 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i6y h LYS 185 CO -0.17 0.16 -0.02 0.00 -2.27 0.00 0.00 179.45 177.15 3i6y h ALA 186 N 1.00 0.13 -0.60 5.00 0.00 -1.27 -1.98 119.26 121.54 3i6y h ALA 186 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3i6y h ALA 186 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3i6y h ALA 186 CO -0.01 -0.15 0.27 0.74 0.00 0.00 0.00 179.25 180.11 3i6y h PHE 187 N -0.14 0.88 -0.26 0.00 0.04 -0.67 0.24 116.94 117.04 3i6y h PHE 187 Ca 0.02 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3i6y h PHE 187 Cb 0.42 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3i6y h PHE 187 CO 0.05 0.68 0.16 1.15 -0.60 0.00 0.00 178.31 179.76 3i6y h THR 188 N 0.83 1.05 0.10 -1.55 2.02 -1.18 0.46 112.91 114.63 3i6y h THR 188 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3i6y h THR 188 Cb 0.15 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3i6y h THR 188 CO -0.02 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.88 3i6y h ALA 189 N 1.11 -0.14 0.08 6.16 0.00 -1.04 -1.18 119.26 124.24 3i6y h ALA 189 Ca 0.10 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 3i6y h ALA 189 Cb -0.02 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i6y h ALA 189 CO -0.03 -0.43 -1.12 1.88 0.00 0.00 0.00 179.25 179.55 3i6y h TYR 190 N -0.44 0.60 0.00 0.00 0.05 -0.45 -3.39 116.97 113.34 3i6y h TYR 190 Ca -0.01 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.38 3i6y h TYR 190 Cb 0.37 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3i6y h TYR 190 CO 0.03 1.25 -0.72 1.28 -1.05 0.00 0.00 178.16 178.94 3i6y n LEU 191 N -3.65 0.18 0.00 3.88 4.77 0.15 -0.40 117.00 121.93 3i6y n LEU 191 Ca -0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3i6y n LEU 191 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3i6y n LEU 191 CO 0.53 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3i6y n GLY 192 N 1.55 -2.27 0.03 -0.72 0.00 -0.45 -4.68 105.19 98.66 3i6y n GLY 192 Ca 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.41 3i6y n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i6y n LYS 193 N -0.15 0.16 -2.74 1.61 5.02 -1.26 -4.19 118.16 116.62 3i6y n LYS 193 Ca 0.00 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 3i6y n LYS 193 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3i6y n LYS 193 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i6y s ASP 194 N -2.89 6.19 0.16 4.39 2.15 -1.26 -4.88 116.67 120.53 3i6y s ASP 194 Ca 0.15 -0.85 0.18 0.00 0.43 0.00 0.00 52.55 52.46 3i6y s ASP 194 Cb 0.18 -2.47 0.78 0.00 -0.30 0.00 0.00 42.92 41.11 3i6y s ASP 194 CO 0.60 -1.57 1.54 0.35 -0.17 0.00 0.00 175.17 175.92 3i6y n THR 195 N 6.10 1.05 -0.07 1.71 -2.24 -1.26 -0.79 114.28 118.78 3i6y n THR 195 Ca 0.01 0.34 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 3i6y n THR 195 Cb 0.47 -1.24 0.52 0.00 -2.10 0.00 0.00 70.33 67.98 3i6y n THR 195 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i6y h ASP 196 N 0.00 0.32 1.09 3.42 3.32 -1.98 -2.19 116.42 120.41 3i6y h ASP 196 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3i6y h ASP 196 Cb 0.23 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3i6y h ASP 196 CO 0.00 0.19 0.00 0.35 -1.72 0.00 0.00 179.24 178.06 3i6y n THR 197 N -4.46 0.47 0.09 0.35 -2.24 0.03 -3.15 114.28 105.36 3i6y n THR 197 Ca 0.10 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 3i6y n THR 197 Cb 0.39 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 3i6y n THR 197 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3i6y h TRP 198 N 0.00 0.00 -0.97 4.78 4.06 -1.53 -3.40 115.95 118.89 3i6y h TRP 198 Ca 0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 3i6y h TRP 198 Cb 0.55 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.60 3i6y h TRP 198 CO 0.00 0.40 0.57 0.00 -3.56 0.00 0.00 178.44 175.86 3i6y h ARG 199 N 0.00 0.70 0.00 0.49 3.08 -1.49 0.13 114.38 117.28 3i6y h ARG 199 Ca -0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3i6y h ARG 199 Cb 1.38 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3i6y h ARG 199 CO 0.04 0.46 0.00 -0.85 -1.07 0.00 0.00 179.97 178.55 3i6y n GLU 200 N -4.80 0.75 -0.06 0.04 0.28 -1.26 -2.64 120.64 112.95 3i6y n GLU 200 Ca 0.22 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.30 3i6y n GLU 200 Cb 0.56 -1.44 0.10 0.00 1.43 0.00 0.00 31.44 32.10 3i6y n GLU 200 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3i6y n TYR 201 N -0.94 0.02 -3.95 -1.84 4.01 0.44 -4.96 117.16 109.93 3i6y n TYR 201 Ca 0.16 -0.86 -0.34 0.00 -0.16 0.00 0.00 57.90 56.69 3i6y n TYR 201 Cb 0.07 -0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 38.83 3i6y n TYR 201 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i6y s ASP 202 N -2.36 4.47 0.21 7.72 -1.08 -1.08 -4.78 116.67 119.77 3i6y s ASP 202 Ca 0.24 -1.02 -0.09 0.00 -0.52 0.00 0.00 52.55 51.16 3i6y s ASP 202 Cb 0.21 -1.67 0.25 0.00 -1.46 0.00 0.00 42.92 40.25 3i6y s ASP 202 CO 0.02 -0.17 1.78 0.00 0.52 0.00 0.00 175.17 177.33 3i6y h ALA 203 N 7.99 0.85 -0.59 3.66 0.00 -1.84 -0.05 119.26 129.29 3i6y h ALA 203 Ca -0.29 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3i6y h ALA 203 Cb 1.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3i6y h ALA 203 CO 0.56 -0.05 0.10 0.77 0.00 0.00 0.00 179.25 180.62 3i6y h SER 204 N 0.57 0.92 -0.26 0.00 0.02 -1.57 -3.07 113.55 110.16 3i6y h SER 204 Ca 0.30 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3i6y h SER 204 Cb 0.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3i6y h SER 204 CO -0.23 0.95 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.29 3i6y h LEU 205 N 0.87 0.50 -1.47 5.07 3.38 -1.73 -2.52 115.31 119.40 3i6y h LEU 205 Ca 0.18 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i6y h LEU 205 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i6y h LEU 205 CO 0.01 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.45 3i6y n LEU 206 N -4.55 0.00 0.00 1.67 4.77 -0.07 -2.81 117.00 116.01 3i6y n LEU 206 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3i6y n LEU 206 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3i6y n LEU 206 CO 0.39 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.31 3i6y n ARG 208 N 0.70 0.00 0.00 3.23 0.63 -0.95 -0.59 116.66 119.68 3i6y n ARG 208 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3i6y n ARG 208 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 3i6y n ARG 208 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i6y n ALA 209 N 0.00 2.94 -1.66 5.13 0.00 -1.12 -4.65 120.51 121.15 3i6y n ALA 209 Ca 0.00 -0.64 -0.49 0.00 0.00 0.00 0.00 53.44 52.31 3i6y n ALA 209 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3i6y n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6y n ALA 210 N 0.61 0.66 0.54 0.00 0.00 0.24 -4.88 120.51 117.68 3i6y n ALA 210 Ca 0.11 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.09 3i6y n ALA 210 Cb 0.49 -2.31 0.08 0.00 0.00 0.00 0.00 19.45 17.71 3i6y n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i6y n LYS 211 N 4.01 0.31 -3.83 0.00 5.02 -1.26 -4.89 118.16 117.52 3i6y n LYS 211 Ca 0.19 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.40 3i6y n LYS 211 Cb 0.26 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 3i6y n LYS 211 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3i6y s GLN 212 N -3.20 0.13 -0.04 1.97 0.74 -1.26 -5.15 119.66 112.85 3i6y s GLN 212 Ca 0.04 0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.45 3i6y s GLN 212 Cb 0.14 0.06 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 3i6y s GLN 212 CO 0.77 -0.02 0.44 0.71 -0.55 0.00 0.00 175.29 176.64 3i6y s TYR 213 N 0.09 3.65 -0.20 1.67 2.02 -1.26 -4.93 117.35 118.38 3i6y s TYR 213 Ca -0.00 0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 3i6y s TYR 213 Cb -0.01 -2.41 -0.00 0.00 -0.40 0.00 0.00 41.96 39.14 3i6y s TYR 213 CO 0.00 0.45 -0.08 0.08 -1.57 0.00 0.00 175.55 174.42 3i6y s VAL 214 N -0.39 3.09 0.26 0.71 1.01 -1.26 -5.04 120.40 118.78 3i6y s VAL 214 Ca 0.25 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 3i6y s VAL 214 Cb -0.16 -2.38 -0.13 0.00 0.00 0.00 0.00 36.38 33.70 3i6y s VAL 214 CO 0.12 0.46 1.35 -2.65 0.00 0.00 0.00 175.10 174.38 3i6y n PRO 215 N 4.63 1.97 -4.29 2.72 -0.01 -1.26 -4.73 135.00 134.02 3i6y n PRO 215 Ca -0.19 0.70 -0.19 0.00 -0.01 0.00 0.00 63.50 63.81 3i6y n PRO 215 Cb 0.51 -2.32 -0.13 0.00 -0.01 0.00 0.00 33.50 31.55 3i6y n PRO 215 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3i6y s ALA 216 N -0.29 1.04 -0.03 3.55 0.00 -0.24 -1.39 121.76 124.40 3i6y s ALA 216 Ca 0.66 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3i6y s ALA 216 Cb -0.65 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3i6y s ALA 216 CO 0.52 0.18 -0.02 -1.17 0.00 0.00 0.00 175.76 175.27 3i6y s LEU 217 N -1.16 1.42 -0.04 0.00 2.96 -0.86 -1.66 118.68 119.35 3i6y s LEU 217 Ca -0.00 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3i6y s LEU 217 Cb -0.08 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.34 3i6y s LEU 217 CO 0.01 -0.05 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 3i6y s VAL 218 N 0.71 0.49 -0.09 1.68 1.01 0.05 -1.10 120.40 123.15 3i6y s VAL 218 Ca -0.08 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3i6y s VAL 218 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 3i6y s VAL 218 CO -0.01 0.21 -0.14 -1.81 0.00 0.00 0.00 175.10 173.35 3i6y s ASP 219 N 0.84 4.00 -0.06 3.32 1.01 -0.04 -0.57 116.67 125.18 3i6y s ASP 219 Ca -0.11 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 52.89 3i6y s ASP 219 Cb -0.14 -1.24 0.02 0.00 1.01 0.00 0.00 42.92 42.57 3i6y s ASP 219 CO 0.00 0.25 -0.07 -1.58 0.21 0.00 0.00 175.17 173.98 3i6y s GLN 220 N -0.17 1.18 -0.01 8.23 2.00 -0.22 -1.21 119.66 129.46 3i6y s GLN 220 Ca -0.00 -0.22 -0.30 0.00 -2.00 0.00 0.00 55.36 52.84 3i6y s GLN 220 Cb -0.13 -1.10 -0.03 0.00 0.80 0.00 0.00 33.01 32.55 3i6y s GLN 220 CO 0.03 -0.07 1.02 0.20 -0.50 0.00 0.00 175.29 175.98 3i6y s GLY 221 N 0.93 2.72 0.50 2.59 0.00 -1.26 -0.86 107.32 111.94 3i6y s GLY 221 Ca -0.11 0.55 0.31 0.00 0.00 0.00 0.00 44.72 45.48 3i6y s GLY 221 CO 0.01 1.80 1.90 0.83 0.00 0.00 0.00 173.10 177.63 3i6y h GLU 222 N 6.88 0.00 -0.61 2.90 5.08 -0.63 -2.56 114.58 125.64 3i6y h GLU 222 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3i6y h GLU 222 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i6y h GLU 222 CO 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3i6y n ALA 223 N -2.06 3.63 -2.41 3.43 0.00 0.42 -4.86 120.51 118.66 3i6y n ALA 223 Ca 0.01 -1.79 -0.43 0.00 0.00 0.00 0.00 53.44 51.24 3i6y n ALA 223 Cb 0.34 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3i6y n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i6y s ASP 224 N -0.80 6.73 0.43 0.00 -1.08 -0.96 -4.53 116.67 116.46 3i6y s ASP 224 Ca 0.53 1.34 0.29 0.00 -0.52 0.00 0.00 52.55 54.19 3i6y s ASP 224 Cb 0.38 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.87 3i6y s ASP 224 CO 0.18 -1.00 1.90 0.78 0.52 0.00 0.00 175.17 177.55 3i6y h ASN 225 N 9.05 0.00 -0.01 -0.34 2.35 -1.91 -2.42 115.58 122.30 3i6y h ASN 225 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3i6y h ASN 225 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 3i6y h ASN 225 CO 1.02 0.00 -0.22 0.49 -1.65 0.00 0.00 177.43 177.06 3i6y n PHE 226 N -2.54 0.00 0.16 1.19 3.72 -1.26 -4.73 117.46 114.01 3i6y n PHE 226 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 3i6y n PHE 226 Cb 0.07 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 3i6y n PHE 226 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3i6y h LEU 227 N 3.50 -1.36 -0.04 4.37 6.46 -1.80 -0.07 115.31 126.37 3i6y h LEU 227 Ca 0.00 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3i6y h LEU 227 Cb 0.86 0.49 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 3i6y h LEU 227 CO 0.00 -0.55 0.02 0.00 -0.62 0.00 0.00 178.44 177.29 3i6y h ALA 228 N -0.44 0.06 0.07 1.25 0.00 -1.85 0.09 119.26 118.44 3i6y h ALA 228 Ca -0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 3i6y h ALA 228 Cb 0.75 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3i6y h ALA 228 CO -0.21 -0.39 -1.12 1.49 0.00 0.00 0.00 179.25 179.02 3i6y h GLU 229 N -0.04 0.50 0.00 0.00 4.81 -1.85 -3.41 114.58 114.59 3i6y h GLU 229 Ca 0.01 -0.63 -0.03 0.00 -0.13 0.00 0.00 59.36 58.58 3i6y h GLU 229 Cb 0.11 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3i6y h GLU 229 CO -0.00 1.25 -1.15 1.04 -0.73 0.00 0.00 179.01 179.43 3i6y n GLN 230 N -3.74 3.00 -0.10 1.92 1.13 -0.06 -4.47 117.38 115.07 3i6y n GLN 230 Ca -0.10 -0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.77 3i6y n GLN 230 Cb 0.93 -1.06 -0.06 0.00 0.11 0.00 0.00 30.24 30.16 3i6y n GLN 230 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i6y n LEU 231 N -2.00 1.70 -3.29 1.08 4.77 -0.99 -4.41 117.00 113.86 3i6y n LEU 231 Ca -0.03 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 3i6y n LEU 231 Cb 0.48 -0.68 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3i6y n LEU 231 CO 0.05 0.16 0.05 0.29 -1.33 0.00 0.00 177.39 176.61 3i6y n LYS 232 N -4.14 -3.34 0.08 3.23 5.02 -0.02 -1.26 118.16 117.74 3i6y n LYS 232 Ca -0.32 0.86 0.04 0.00 -2.02 0.00 0.00 58.31 56.87 3i6y n LYS 232 Cb 0.67 -5.85 0.43 0.00 -0.02 0.00 0.00 35.03 30.27 3i6y n LYS 232 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i6y h PRO 233 N -1.28 0.35 -0.64 1.97 0.13 -1.88 -1.84 132.00 128.80 3i6y h PRO 233 Ca -0.61 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 64.61 3i6y h PRO 233 Cb 1.32 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3i6y h PRO 233 CO 0.45 0.33 0.43 1.05 -0.23 0.00 0.00 178.00 180.04 3i6y h GLU 234 N 0.34 0.29 -0.34 0.86 9.09 -1.97 -0.43 114.58 122.42 3i6y h GLU 234 Ca 0.08 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.32 3i6y h GLU 234 Cb 0.14 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3i6y h GLU 234 CO -0.00 0.19 -0.41 0.28 0.05 0.00 0.00 179.01 179.12 3i6y h VAL 235 N 0.30 1.28 -0.42 -1.06 2.07 -1.70 -0.57 116.25 116.14 3i6y h VAL 235 Ca 0.30 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 3i6y h VAL 235 Cb 0.79 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3i6y h VAL 235 CO -0.07 0.52 0.01 0.25 0.02 0.00 0.00 177.57 178.30 3i6y h LEU 236 N 0.69 0.73 -0.91 2.57 5.85 -1.12 -2.59 115.31 120.53 3i6y h LEU 236 Ca 0.05 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3i6y h LEU 236 Cb 0.99 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3i6y h LEU 236 CO 0.10 0.85 0.56 -0.33 -0.34 0.00 0.00 178.44 179.28 3i6y h GLU 237 N 0.58 1.23 -0.42 1.25 5.08 -0.97 -1.38 114.58 119.96 3i6y h GLU 237 Ca 0.12 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3i6y h GLU 237 Cb 0.47 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3i6y h GLU 237 CO 0.02 0.85 0.19 0.00 -1.00 0.00 0.00 179.01 179.07 3i6y h ALA 238 N 1.31 0.54 -0.52 3.43 0.00 -1.03 -0.07 119.26 122.91 3i6y h ALA 238 Ca 0.33 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3i6y h ALA 238 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3i6y h ALA 238 CO -0.06 0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.60 3i6y h ALA 239 N 1.04 0.66 -0.09 0.00 0.00 -1.07 -1.51 119.26 118.29 3i6y h ALA 239 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6y h ALA 239 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i6y h ALA 239 CO -0.02 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.29 3i6y h ALA 240 N 1.24 0.12 0.00 0.00 0.00 -0.96 -2.13 119.26 117.53 3i6y h ALA 240 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i6y h ALA 240 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i6y h ALA 240 CO -0.10 -0.37 -0.15 1.03 0.00 0.00 0.00 179.25 179.66 3i6y h SER 241 N 0.09 0.00 1.18 0.00 0.87 -0.85 0.46 113.55 115.30 3i6y h SER 241 Ca 0.03 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3i6y h SER 241 Cb 0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3i6y h SER 241 CO -0.01 0.15 -0.66 0.28 -0.53 0.00 0.00 176.83 176.07 3i6y h SER 242 N 0.00 0.00 -0.24 6.23 0.02 -1.00 -3.34 113.55 115.21 3i6y h SER 242 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i6y h SER 242 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3i6y h SER 242 CO 0.02 0.66 0.00 -3.20 -1.14 0.00 0.00 176.83 173.17 3i6y n ASN 243 N -3.35 3.56 -3.27 3.07 5.15 -0.83 -4.97 115.26 114.63 3i6y n ASN 243 Ca 0.01 -2.84 -0.22 0.00 -0.60 0.00 0.00 54.58 50.93 3i6y n ASN 243 Cb 0.76 -0.47 -0.00 0.00 -0.53 0.00 0.00 39.78 39.54 3i6y n ASN 243 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3i6y n ASN 244 N -0.43 -3.70 -4.75 1.20 3.02 -0.85 -4.91 115.26 104.84 3i6y n ASN 244 Ca 0.19 -0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 3i6y n ASN 244 Cb 0.78 -3.07 -0.05 0.00 -0.61 0.00 0.00 39.78 36.83 3i6y n ASN 244 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i6y s TYR 245 N -2.89 3.83 -0.97 3.10 6.14 0.10 -4.94 117.35 121.72 3i6y s TYR 245 Ca 0.36 1.82 -0.16 0.00 0.64 0.00 0.00 57.07 59.72 3i6y s TYR 245 Cb -0.19 -3.09 -0.10 0.00 0.42 0.00 0.00 41.96 39.00 3i6y s TYR 245 CO 0.44 0.07 2.07 -0.35 0.64 0.00 0.00 175.55 178.43 3i6y n PRO 246 N 1.68 1.98 -4.17 4.97 -0.04 -1.26 -4.79 135.00 133.37 3i6y n PRO 246 Ca -0.01 -1.90 -0.34 0.00 -0.04 0.00 0.00 63.50 61.21 3i6y n PRO 246 Cb 0.47 -2.86 -0.14 0.00 -0.04 0.00 0.00 33.50 30.93 3i6y n PRO 246 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i6y s LEU 247 N 1.04 2.96 -0.35 1.53 2.96 -1.26 -1.08 118.68 124.48 3i6y s LEU 247 Ca 0.52 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.00 3i6y s LEU 247 Cb 0.14 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 45.10 3i6y s LEU 247 CO 0.04 0.05 0.22 -0.70 -1.32 0.00 0.00 176.35 174.64 3i6y s GLU 248 N 1.04 3.19 -0.22 1.98 2.12 -0.66 -5.02 118.70 121.12 3i6y s GLU 248 Ca 0.01 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.45 3i6y s GLU 248 Cb -0.15 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 3i6y s GLU 248 CO 0.00 -0.56 -0.01 -1.17 -0.54 0.00 0.00 175.26 172.99 3i6y s LEU 249 N 1.64 3.07 -0.13 2.70 0.20 -1.26 -0.77 118.68 124.13 3i6y s LEU 249 Ca 0.04 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.55 3i6y s LEU 249 Cb -0.18 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3i6y s LEU 249 CO 0.08 -0.01 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.85 3i6y s ARG 250 N 1.44 3.29 -0.15 1.98 0.52 0.27 -4.99 118.95 121.31 3i6y s ARG 250 Ca 0.05 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 3i6y s ARG 250 Cb -0.14 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 3i6y s ARG 250 CO -0.01 0.15 0.05 0.45 0.02 0.00 0.00 175.30 175.96 3i6y s SER 251 N 0.50 5.57 -0.19 0.23 0.15 -1.26 -1.05 113.70 117.66 3i6y s SER 251 Ca -0.10 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.69 3i6y s SER 251 Cb -0.16 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 62.33 3i6y s SER 251 CO 0.04 0.25 -0.15 -1.00 1.20 0.00 0.00 173.24 173.59 3i6y s HIS 252 N -0.09 2.59 0.30 3.44 0.09 -0.04 -4.96 115.29 116.62 3i6y s HIS 252 Ca 0.06 -1.62 -0.30 0.00 -0.00 0.00 0.00 55.06 53.20 3i6y s HIS 252 Cb -0.12 -1.76 -0.11 0.00 -0.00 0.00 0.00 32.58 30.58 3i6y s HIS 252 CO 0.01 -0.77 1.55 -2.00 -0.00 0.00 0.00 174.74 173.53 3i6y s GLU 253 N 1.34 4.15 0.00 1.40 -6.30 -1.26 -0.79 118.70 117.25 3i6y s GLU 253 Ca 0.01 2.52 0.00 0.00 -2.50 0.00 0.00 54.97 55.00 3i6y s GLU 253 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.95 3i6y s GLU 253 CO -0.10 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.02 3i6y n GLY 254 N 1.93 2.71 3.81 -1.50 0.00 -1.26 -4.85 105.19 106.03 3i6y n GLY 254 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3i6y n GLY 254 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i6y s TYR 255 N -2.07 3.61 0.00 1.61 2.02 -1.17 -4.60 117.35 116.75 3i6y s TYR 255 Ca 0.00 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 3i6y s TYR 255 Cb 0.00 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 3i6y s TYR 255 CO 0.00 0.25 0.00 -0.40 -1.57 0.00 0.00 175.55 173.83 3i6y n ASP 256 N 0.48 0.42 -0.36 2.29 5.68 -1.26 -0.44 116.55 123.36 3i6y n ASP 256 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.42 3i6y n ASP 256 Cb 0.51 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.84 3i6y n ASP 256 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3i6y n HIS 257 N 0.00 0.00 -2.12 2.11 -0.00 -1.26 -4.37 115.22 109.58 3i6y n HIS 257 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3i6y n HIS 257 Cb 0.00 -0.08 0.12 0.00 -0.00 0.00 0.00 29.99 30.04 3i6y n HIS 257 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3i6y s SER 258 N -2.37 4.03 0.45 0.26 1.04 -1.26 -4.91 113.70 110.94 3i6y s SER 258 Ca 0.27 0.29 0.31 0.00 0.48 0.00 0.00 55.95 57.30 3i6y s SER 258 Cb 0.19 -0.63 1.54 0.00 0.10 0.00 0.00 66.02 67.22 3i6y s SER 258 CO 0.48 -2.13 1.94 1.88 0.98 0.00 0.00 173.24 176.39 3i6y h TYR 259 N -1.06 0.00 -0.82 5.02 -1.99 -1.94 -1.84 116.97 114.34 3i6y h TYR 259 Ca -0.43 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 3i6y h TYR 259 Cb 1.28 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.97 3i6y h TYR 259 CO -0.33 0.00 0.35 1.88 -0.00 0.00 0.00 178.16 180.06 3i6y h TYR 260 N 0.00 1.22 0.09 4.88 0.05 -1.92 -0.26 116.97 121.03 3i6y h TYR 260 Ca 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3i6y h TYR 260 Cb 0.19 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.56 3i6y h TYR 260 CO 0.00 0.91 -0.04 0.35 -1.05 0.00 0.00 178.16 178.32 3i6y h PHE 261 N 1.18 -0.11 -0.27 4.88 3.57 -1.63 -2.54 116.94 122.01 3i6y h PHE 261 Ca 0.28 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.84 3i6y h PHE 261 Cb 0.18 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 3i6y h PHE 261 CO 0.02 0.22 -0.16 0.82 -2.23 0.00 0.00 178.31 176.97 3i6y h ILE 262 N -0.45 0.52 -0.55 1.41 2.04 -1.34 -1.33 117.51 117.81 3i6y h ILE 262 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3i6y h ILE 262 Cb 0.38 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3i6y h ILE 262 CO 0.02 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.54 3i6y h ALA 263 N 1.05 1.91 0.00 1.87 0.00 -1.09 -0.56 119.26 122.44 3i6y h ALA 263 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i6y h ALA 263 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i6y h ALA 263 CO -0.36 -0.01 -0.13 0.77 0.00 0.00 0.00 179.25 179.52 3i6y h SER 264 N 0.47 0.00 0.00 0.00 0.02 -0.79 -3.21 113.55 110.04 3i6y h SER 264 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3i6y h SER 264 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3i6y h SER 264 CO -0.07 0.13 -0.00 0.49 -1.14 0.00 0.00 176.83 176.24 3i6y n PHE 265 N -3.94 0.00 0.04 3.45 3.72 -0.79 -4.81 117.46 115.13 3i6y n PHE 265 Ca -0.02 -0.34 -0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3i6y n PHE 265 Cb 0.22 -0.03 0.30 0.00 -0.94 0.00 0.00 39.48 39.02 3i6y n PHE 265 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3i6y h ILE 266 N 1.00 1.21 -0.89 4.37 6.09 -1.13 -2.12 117.51 126.03 3i6y h ILE 266 Ca 0.00 -0.90 -0.02 0.00 -1.37 0.00 0.00 64.86 62.57 3i6y h ILE 266 Cb 0.67 1.12 -0.04 0.00 0.47 0.00 0.00 36.82 39.03 3i6y h ILE 266 CO 0.00 0.29 0.48 -0.33 -3.07 0.00 0.00 178.15 175.53 3i6y h GLU 267 N 0.40 1.25 -0.72 2.19 5.08 -1.87 0.05 114.58 120.96 3i6y h GLU 267 Ca 0.08 -0.15 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3i6y h GLU 267 Cb 0.42 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 3i6y h GLU 267 CO 0.02 0.92 0.30 -0.44 -1.00 0.00 0.00 179.01 178.82 3i6y h ASP 268 N 1.25 0.32 -0.26 1.42 3.32 -1.75 0.15 116.42 120.87 3i6y h ASP 268 Ca 0.31 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 3i6y h ASP 268 Cb 0.04 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3i6y h ASP 268 CO -0.05 0.15 -0.12 0.45 -1.72 0.00 0.00 179.24 177.95 3i6y h HIS 269 N 0.48 0.62 -0.65 4.55 3.86 -0.94 -0.83 115.15 122.23 3i6y h HIS 269 Ca 0.38 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3i6y h HIS 269 Cb 0.53 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3i6y h HIS 269 CO -0.15 0.79 0.38 -0.07 0.86 0.00 0.00 177.93 179.74 3i6y h LEU 270 N 0.27 0.80 -0.67 2.43 3.38 -0.55 -0.28 115.31 120.69 3i6y h LEU 270 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3i6y h LEU 270 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3i6y h LEU 270 CO 0.04 0.64 0.09 0.03 0.09 0.00 0.00 178.44 179.33 3i6y h ARG 271 N 0.89 1.12 0.11 1.13 3.08 -0.60 -0.64 114.38 119.47 3i6y h ARG 271 Ca 0.23 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3i6y h ARG 271 Cb -0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3i6y h ARG 271 CO -0.04 1.03 -0.22 0.35 -1.07 0.00 0.00 179.97 180.01 3i6y h PHE 272 N 1.04 -0.59 -0.78 3.04 3.57 -0.90 -2.10 116.94 120.22 3i6y h PHE 272 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3i6y h PHE 272 Cb 0.47 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3i6y h PHE 272 CO 0.03 -0.32 0.31 0.45 -2.23 0.00 0.00 178.31 176.56 3i6y h HIS 273 N -0.41 1.18 -0.93 0.41 3.86 -0.97 -2.75 115.15 115.54 3i6y h HIS 273 Ca 0.03 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.22 3i6y h HIS 273 Cb 0.44 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 3i6y h HIS 273 CO -0.21 0.89 0.60 1.03 0.86 0.00 0.00 177.93 181.11 3i6y h SER 274 N 1.13 0.93 -0.99 2.45 0.87 -0.96 0.74 113.55 117.71 3i6y h SER 274 Ca 0.26 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 3i6y h SER 274 Cb 0.21 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 3i6y h SER 274 CO -0.02 0.59 0.64 -1.13 -0.53 0.00 0.00 176.83 176.37 3i6y h ASN 275 N 1.05 0.97 0.27 6.23 -0.73 -1.07 -1.20 115.58 121.10 3i6y h ASN 275 Ca 0.40 0.03 -0.33 0.00 1.87 0.00 0.00 56.30 58.27 3i6y h ASN 275 Cb 0.22 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.58 3i6y h ASN 275 CO -0.16 0.57 -2.00 -1.22 -0.37 0.00 0.00 177.43 174.26 3i6y n TYR 276 N -4.55 0.64 0.18 0.67 4.01 -0.12 -4.14 117.16 113.85 3i6y n TYR 276 Ca 0.17 0.22 0.02 0.00 -0.16 0.00 0.00 57.90 58.15 3i6y n TYR 276 Cb 0.27 -1.11 0.32 0.00 -0.31 0.00 0.00 39.34 38.50 3i6y n TYR 276 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i6y h LEU 277 N 0.01 0.00 -0.05 7.72 3.38 0.54 -2.83 115.31 124.07 3i6y h LEU 277 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3i6y h LEU 277 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 3i6y h LEU 277 CO 0.06 0.43 -0.03 0.59 0.09 0.00 0.00 178.44 179.58 3i6y n ASN 278 N -3.94 0.11 -0.60 -0.43 4.13 -0.47 -4.93 115.26 109.14 3i6y n ASN 278 Ca -0.02 -0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.07 3i6y n ASN 278 Cb 0.47 -0.21 0.42 0.00 -1.54 0.00 0.00 39.78 38.91 3i6y n ASN 278 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54