#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n5l s GLN 27 N 0.00 4.29 0.54 0.11 -0.21 -1.26 -5.04 119.66 118.09 3n5l s GLN 27 Ca 0.00 1.02 -0.21 0.00 0.02 0.00 0.00 55.36 56.20 3n5l s GLN 27 Cb 0.00 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 3n5l s GLN 27 CO 0.00 0.20 1.23 -2.14 -2.12 0.00 0.00 175.29 172.46 3n5l s PRO 28 N -2.53 3.24 -0.14 2.91 0.02 -1.26 -4.60 135.00 132.64 3n5l s PRO 28 Ca 0.52 1.90 -0.08 0.00 0.02 0.00 0.00 61.00 63.37 3n5l s PRO 28 Cb -0.14 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 3n5l s PRO 28 CO 0.19 -1.01 0.13 0.08 -0.33 0.00 0.00 177.00 176.06 3n5l s VAL 29 N -1.52 5.45 -0.24 3.83 1.01 -1.26 -0.22 120.40 127.44 3n5l s VAL 29 Ca 0.72 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 3n5l s VAL 29 Cb -0.32 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3n5l s VAL 29 CO 0.37 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.37 3n5l s ILE 30 N -0.58 3.35 -0.43 2.22 -1.09 -0.47 -4.91 121.20 119.29 3n5l s ILE 30 Ca 0.13 -0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 57.67 3n5l s ILE 30 Cb -0.12 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3n5l s ILE 30 CO 0.02 0.30 0.67 0.20 -1.23 0.00 0.00 174.94 174.91 3n5l s ASN 31 N 1.44 6.35 -0.40 3.58 0.01 -1.26 -0.64 114.94 124.03 3n5l s ASN 31 Ca 0.04 -0.24 -0.14 0.00 -0.71 0.00 0.00 52.86 51.81 3n5l s ASN 31 Cb -0.15 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.20 3n5l s ASN 31 CO -0.03 -0.79 0.27 0.12 -1.51 0.00 0.00 177.10 175.17 3n5l s PHE 32 N 2.91 3.24 0.21 2.20 2.19 0.14 -1.10 117.98 127.77 3n5l s PHE 32 Ca 0.24 -0.72 -0.30 0.00 0.33 0.00 0.00 56.93 56.49 3n5l s PHE 32 Cb -0.14 -2.55 -0.08 0.00 -1.31 0.00 0.00 43.02 38.94 3n5l s PHE 32 CO 0.19 -0.61 1.02 0.20 1.83 0.00 0.00 175.22 177.85 3n5l s GLY 33 N 1.65 3.01 -0.18 13.12 0.00 0.12 -0.41 107.32 124.63 3n5l s GLY 33 Ca 0.04 0.72 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 3n5l s GLY 33 CO 0.09 1.43 0.01 -0.42 0.00 0.00 0.00 173.10 174.21 3n5l s ILE 34 N -0.69 0.66 0.64 0.90 1.01 -0.80 -1.15 121.20 121.76 3n5l s ILE 34 Ca 0.45 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 3n5l s ILE 34 Cb -0.28 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 3n5l s ILE 34 CO 0.34 -0.11 1.24 0.27 0.00 0.00 0.00 174.94 176.68 3n5l s ILE 35 N 1.81 2.36 -0.74 2.92 -4.36 -1.21 -4.57 121.20 117.40 3n5l s ILE 35 Ca -0.00 0.22 -0.08 0.00 -0.26 0.00 0.00 60.65 60.53 3n5l s ILE 35 Cb -0.16 -3.03 -0.18 0.00 1.25 0.00 0.00 42.46 40.34 3n5l s ILE 35 CO -0.07 -0.06 3.24 -1.54 0.24 0.00 0.00 174.94 176.75 3n5l n SER 36 N -1.90 6.68 0.21 4.36 3.41 -1.26 -4.51 113.62 120.61 3n5l n SER 36 Ca 0.14 -2.50 0.08 0.00 -0.26 0.00 0.00 58.87 56.34 3n5l n SER 36 Cb 0.49 -1.45 0.46 0.00 -0.26 0.00 0.00 64.21 63.46 3n5l n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3n5l h THR 37 N 2.50 0.78 -4.38 6.66 1.35 -1.97 -3.41 112.91 114.44 3n5l h THR 37 Ca 0.50 -1.16 -0.28 0.00 -0.55 0.00 0.00 66.41 64.92 3n5l h THR 37 Cb 0.91 1.72 -0.12 0.00 -1.73 0.00 0.00 68.15 68.94 3n5l h THR 37 CO 0.95 0.27 -0.39 -1.61 -0.25 0.00 0.00 175.52 174.50 3n5l s GLU 38 N -3.83 1.59 0.65 4.72 2.02 -1.26 -2.27 118.70 120.32 3n5l s GLU 38 Ca -0.01 -1.70 -0.18 0.00 0.02 0.00 0.00 54.97 53.10 3n5l s GLU 38 Cb 0.12 0.36 -0.02 0.00 0.10 0.00 0.00 34.13 34.70 3n5l s GLU 38 CO 0.66 -0.61 1.21 -1.13 0.02 0.00 0.00 175.26 175.41 3n5l n SER 39 N -0.91 1.72 -0.25 -0.19 3.41 -1.26 -4.77 113.62 111.37 3n5l n SER 39 Ca 0.02 0.81 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 3n5l n SER 39 Cb 0.63 -1.52 0.37 0.00 -0.26 0.00 0.00 64.21 63.44 3n5l n SER 39 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3n5l h SER 40 N 0.46 0.65 -0.39 4.04 4.64 -1.98 -0.02 113.55 120.95 3n5l h SER 40 Ca -0.50 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 3n5l h SER 40 Cb 1.35 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3n5l h SER 40 CO 0.52 0.36 -0.06 0.06 -0.87 0.00 0.00 176.83 176.84 3n5l h GLN 41 N 0.71 0.81 -0.16 4.77 3.07 -2.00 0.23 115.11 122.54 3n5l h GLN 41 Ca 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 58.65 58.87 3n5l h GLN 41 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.08 3n5l h GLN 41 CO -0.18 0.86 -0.04 -0.91 0.09 0.00 0.00 178.83 178.66 3n5l h ASN 42 N 0.74 0.31 -0.46 0.06 4.21 -1.65 -3.05 115.58 115.73 3n5l h ASN 42 Ca 0.13 -0.36 0.00 0.00 1.21 0.00 0.00 56.30 57.28 3n5l h ASN 42 Cb 0.54 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 3n5l h ASN 42 CO 0.03 0.60 0.30 -0.07 -1.29 0.00 0.00 177.43 177.00 3n5l h LEU 43 N 0.01 0.54 -0.86 1.61 3.38 -0.68 -2.35 115.31 116.97 3n5l h LEU 43 Ca 0.04 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.15 3n5l h LEU 43 Cb 0.46 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 3n5l h LEU 43 CO 0.02 0.41 0.41 0.11 0.09 0.00 0.00 178.44 179.47 3n5l h LYS 44 N 0.62 0.50 -0.63 1.13 1.57 -0.56 0.26 116.57 119.46 3n5l h LYS 44 Ca 0.17 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3n5l h LYS 44 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3n5l h LYS 44 CO -0.03 0.33 0.33 0.66 -0.57 0.00 0.00 179.45 180.17 3n5l h SER 45 N 0.52 0.79 0.31 0.86 4.64 -1.31 0.87 113.55 120.23 3n5l h SER 45 Ca 0.50 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.63 3n5l h SER 45 Cb 0.81 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3n5l h SER 45 CO -0.43 0.65 -1.80 2.30 -0.87 0.00 0.00 176.83 176.68 3n5l n ILE 46 N -4.37 0.67 0.06 0.95 -5.35 -0.82 -4.57 119.36 105.93 3n5l n ILE 46 Ca 0.06 -0.63 -0.23 0.00 -0.27 0.00 0.00 62.75 61.68 3n5l n ILE 46 Cb 0.11 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.55 3n5l n ILE 46 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 3n5l h TRP 47 N 0.00 0.66 -0.87 4.28 4.06 -0.26 -3.39 115.95 120.43 3n5l h TRP 47 Ca -0.16 -0.48 0.13 0.00 2.06 0.00 0.00 58.89 60.44 3n5l h TRP 47 Cb 1.40 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.47 3n5l h TRP 47 CO 0.00 1.65 0.56 0.93 -3.56 0.00 0.00 178.44 178.02 3n5l h GLU 48 N 0.01 0.71 -0.58 0.49 5.08 -1.02 -0.51 114.58 118.75 3n5l h GLU 48 Ca -0.33 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3n5l h GLU 48 Cb 2.02 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 31.08 3n5l h GLU 48 CO 0.15 0.47 0.17 -1.35 -1.00 0.00 0.00 179.01 177.45 3n5l h PRO 49 N 0.73 0.88 -0.15 2.33 0.11 -1.80 0.65 132.00 134.75 3n5l h PRO 49 Ca 0.42 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 3n5l h PRO 49 Cb 0.61 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3n5l h PRO 49 CO -0.19 0.77 -0.14 0.35 -0.21 0.00 0.00 178.00 178.58 3n5l h PHE 50 N 0.85 0.42 -0.52 0.65 3.57 -1.42 -2.42 116.94 118.07 3n5l h PHE 50 Ca 0.19 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3n5l h PHE 50 Cb 0.26 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3n5l h PHE 50 CO 0.02 0.73 0.11 -0.07 -2.23 0.00 0.00 178.31 176.87 3n5l h LEU 51 N -0.02 0.75 0.09 0.59 3.38 -1.03 -2.95 115.31 116.12 3n5l h LEU 51 Ca 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3n5l h LEU 51 Cb 0.66 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3n5l h LEU 51 CO 0.03 0.75 -0.04 0.50 0.09 0.00 0.00 178.44 179.77 3n5l h LYS 52 N 0.77 -0.12 -1.20 1.13 3.64 -0.82 -0.97 116.57 119.00 3n5l h LYS 52 Ca 0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3n5l h LYS 52 Cb 0.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3n5l h LYS 52 CO 0.00 -0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 176.85 3n5l n ASP 53 N -5.14 0.00 0.00 4.20 8.00 -0.92 -1.27 116.55 121.41 3n5l n ASP 53 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3n5l n ASP 53 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3n5l n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3n5l n SER 55 N 0.74 0.00 -0.34 -2.24 7.64 -0.37 -0.63 113.62 118.42 3n5l n SER 55 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 3n5l n SER 55 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 3n5l n SER 55 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3n5l h GLN 56 N 0.00 1.22 0.11 1.43 4.15 -1.44 0.24 115.11 120.81 3n5l h GLN 56 Ca 0.00 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 3n5l h GLN 56 Cb 0.00 -0.27 0.02 0.00 0.21 0.00 0.00 27.48 27.44 3n5l h GLN 56 CO 0.00 0.82 -0.73 1.96 -1.93 0.00 0.00 178.83 178.95 3n5l h GLN 57 N 1.25 0.31 0.00 1.69 1.08 -1.14 -3.35 115.11 114.95 3n5l h GLN 57 Ca 0.34 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 3n5l h GLN 57 Cb -0.12 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3n5l h GLN 57 CO -0.07 1.20 -0.44 1.79 -0.95 0.00 0.00 178.83 180.36 3n5l h THR 58 N -0.35 0.03 -0.05 -0.54 1.35 -1.77 -3.47 112.91 108.11 3n5l h THR 58 Ca -0.12 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 3n5l h THR 58 Cb 1.54 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 3n5l h THR 58 CO 0.14 0.02 -0.02 0.61 -0.25 0.00 0.00 175.52 176.02 3n5l n GLY 59 N 1.14 0.46 3.93 5.82 0.00 0.83 -5.04 105.19 112.34 3n5l n GLY 59 Ca 0.02 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3n5l n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n5l s TYR 60 N -1.85 3.49 -0.70 1.61 2.02 -1.21 -4.62 117.35 116.09 3n5l s TYR 60 Ca 0.00 0.20 -0.24 0.00 -0.37 0.00 0.00 57.07 56.67 3n5l s TYR 60 Cb 0.00 -1.73 0.06 0.00 -0.40 0.00 0.00 41.96 39.88 3n5l s TYR 60 CO 0.00 0.50 1.08 -1.14 -1.57 0.00 0.00 175.55 174.42 3n5l s GLN 61 N -3.10 3.16 -0.23 -0.62 0.74 0.69 -4.20 119.66 116.10 3n5l s GLN 61 Ca 0.36 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 54.83 3n5l s GLN 61 Cb -0.11 -4.26 -0.00 0.00 1.10 0.00 0.00 33.01 29.73 3n5l s GLN 61 CO 0.28 -1.93 0.86 0.08 -0.55 0.00 0.00 175.29 174.04 3n5l s VAL 62 N 4.57 4.82 -0.11 1.34 1.01 -1.26 -1.37 120.40 129.40 3n5l s VAL 62 Ca 0.27 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.92 3n5l s VAL 62 Cb -0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3n5l s VAL 62 CO 0.11 -0.07 -0.19 -0.54 0.00 0.00 0.00 175.10 174.40 3n5l s LYS 63 N 2.78 3.17 0.43 2.72 1.02 0.19 -4.88 119.74 125.18 3n5l s LYS 63 Ca 0.37 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 3n5l s LYS 63 Cb -0.15 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3n5l s LYS 63 CO 0.08 0.20 1.42 0.00 -0.92 0.00 0.00 175.35 176.13 3n5l s ALA 64 N 0.32 3.28 -0.15 5.17 0.00 -1.26 -0.68 121.76 128.44 3n5l s ALA 64 Ca -0.15 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3n5l s ALA 64 Cb -0.17 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.40 3n5l s ALA 64 CO 0.07 -1.12 -0.13 0.12 0.00 0.00 0.00 175.76 174.71 3n5l s PHE 65 N -1.20 2.13 0.31 0.00 2.19 0.45 -4.76 117.98 117.09 3n5l s PHE 65 Ca 0.59 -1.22 0.09 0.00 0.33 0.00 0.00 56.93 56.72 3n5l s PHE 65 Cb -0.43 -1.56 -0.05 0.00 -1.31 0.00 0.00 43.02 39.67 3n5l s PHE 65 CO 0.56 -0.66 0.01 -0.06 1.83 0.00 0.00 175.22 176.89 3n5l s PHE 66 N 1.50 2.60 0.17 10.12 0.08 -1.26 -1.91 117.98 129.28 3n5l s PHE 66 Ca 0.04 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.61 3n5l s PHE 66 Cb -0.13 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 3n5l s PHE 66 CO -0.10 0.52 0.40 0.00 -0.10 0.00 0.00 175.22 175.94 3n5l s ALA 67 N -2.44 -0.54 0.45 5.36 0.00 -1.26 -4.93 121.76 118.41 3n5l s ALA 67 Ca 0.34 -0.47 0.21 0.00 0.00 0.00 0.00 51.96 52.03 3n5l s ALA 67 Cb -0.03 0.81 1.26 0.00 0.00 0.00 0.00 23.12 25.16 3n5l s ALA 67 CO 0.20 -0.70 2.05 -1.35 0.00 0.00 0.00 175.76 175.95 3n5l h PRO 68 N 2.39 0.00 -4.40 0.00 0.11 -1.99 -3.42 132.00 124.69 3n5l h PRO 68 Ca -0.31 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.52 3n5l h PRO 68 Cb 1.24 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 3n5l h PRO 68 CO 0.44 0.14 -0.39 0.16 -0.21 0.00 0.00 178.00 178.14 3n5l s ASP 69 N -6.59 0.72 0.32 -2.05 1.47 -1.26 -4.91 116.67 104.38 3n5l s ASP 69 Ca -0.04 -1.44 0.06 0.00 1.18 0.00 0.00 52.55 52.31 3n5l s ASP 69 Cb 0.15 0.54 0.56 0.00 -0.34 0.00 0.00 42.92 43.82 3n5l s ASP 69 CO 0.64 -1.07 1.79 1.88 0.68 0.00 0.00 175.17 179.08 3n5l h TYR 70 N 2.30 0.36 -0.64 2.11 -1.99 -1.93 -2.74 116.97 114.43 3n5l h TYR 70 Ca -0.29 -0.07 0.13 0.00 2.00 0.00 0.00 58.73 60.50 3n5l h TYR 70 Cb 1.24 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.84 3n5l h TYR 70 CO 1.03 0.55 0.44 0.00 -0.00 0.00 0.00 178.16 180.18 3n5l h ALA 71 N 1.45 2.16 -0.25 3.88 0.00 -1.96 -1.51 119.26 123.03 3n5l h ALA 71 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3n5l h ALA 71 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n5l h ALA 71 CO 0.04 -0.32 -0.06 0.78 0.00 0.00 0.00 179.25 179.68 3n5l h GLY 72 N 0.32 0.42 0.63 0.00 0.00 -1.86 0.14 103.07 102.72 3n5l h GLY 72 Ca 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3n5l h GLY 72 CO -0.08 0.24 -0.23 -2.22 0.00 0.00 0.00 176.54 174.25 3n5l h ILE 73 N 0.37 1.43 0.02 2.60 1.08 -1.41 -1.92 117.51 119.68 3n5l h ILE 73 Ca 0.08 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 62.93 3n5l h ILE 73 Cb 0.35 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 3n5l h ILE 73 CO 0.02 0.46 -0.05 0.40 -0.69 0.00 0.00 178.15 178.28 3n5l h ILE 74 N -0.23 0.86 -0.44 -0.67 2.04 -1.20 -2.58 117.51 115.29 3n5l h ILE 74 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3n5l h ILE 74 Cb 0.86 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3n5l h ILE 74 CO 0.05 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.73 3n5l h GLN 75 N -0.11 0.73 0.00 2.37 1.08 -1.09 0.06 115.11 118.16 3n5l h GLN 75 Ca 0.02 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3n5l h GLN 75 Cb 0.12 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3n5l h GLN 75 CO -0.04 0.76 0.00 0.41 -0.95 0.00 0.00 178.83 179.01 3n5l n GLY 76 N -0.63 0.00 1.89 3.46 0.00 -0.72 -2.15 105.19 107.04 3n5l n GLY 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3n5l n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n5l n ARG 78 N 0.43 0.00 -0.83 1.61 0.63 0.01 -0.18 116.66 118.33 3n5l n ARG 78 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3n5l n ARG 78 Cb 0.00 0.00 0.27 0.00 0.45 0.00 0.00 32.46 33.18 3n5l n ARG 78 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3n5l n PHE 79 N 0.00 1.78 -2.17 -0.14 3.72 -0.92 -4.94 117.46 114.80 3n5l n PHE 79 Ca 0.00 -1.21 -0.21 0.00 -0.05 0.00 0.00 57.45 55.98 3n5l n PHE 79 Cb 0.00 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 37.95 3n5l n PHE 79 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3n5l n ASP 80 N -0.48 -5.78 0.02 4.37 8.00 -1.04 -4.86 116.55 116.80 3n5l n ASP 80 Ca 0.34 0.13 0.12 0.00 0.71 0.00 0.00 54.79 56.09 3n5l n ASP 80 Cb 1.19 -4.87 0.12 0.00 -0.02 0.00 0.00 41.12 37.53 3n5l n ASP 80 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3n5l n LYS 81 N -2.82 0.16 -4.78 -1.24 5.02 0.75 -4.79 118.16 110.45 3n5l n LYS 81 Ca -0.24 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.80 3n5l n LYS 81 Cb 0.69 -1.57 -0.17 0.00 -0.02 0.00 0.00 35.03 33.96 3n5l n LYS 81 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3n5l s VAL 82 N -3.10 1.41 -0.21 -0.18 1.01 -1.00 -4.80 120.40 113.52 3n5l s VAL 82 Ca 0.07 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3n5l s VAL 82 Cb 0.15 -1.25 -0.21 0.00 0.00 0.00 0.00 36.38 35.08 3n5l s VAL 82 CO 0.76 0.41 0.01 0.47 0.00 0.00 0.00 175.10 176.75 3n5l n ASP 83 N 3.64 1.38 -3.81 3.32 8.00 -0.26 -4.67 116.55 124.15 3n5l n ASP 83 Ca -0.21 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.16 3n5l n ASP 83 Cb 0.52 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.45 3n5l n ASP 83 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3n5l s ILE 84 N -2.52 0.03 0.01 0.53 2.07 -1.16 -1.42 121.20 118.74 3n5l s ILE 84 Ca -0.24 -0.27 -0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3n5l s ILE 84 Cb 0.08 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3n5l s ILE 84 CO 0.71 -0.15 0.04 0.00 -1.91 0.00 0.00 174.94 173.63 3n5l s ALA 85 N -0.54 -0.06 -0.25 1.50 0.00 0.41 0.11 121.76 122.92 3n5l s ALA 85 Ca -0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 3n5l s ALA 85 Cb -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3n5l s ALA 85 CO 0.01 -0.17 0.55 -0.46 0.00 0.00 0.00 175.76 175.69 3n5l s TRP 86 N -1.35 3.28 0.18 0.00 -0.00 -0.30 -1.57 118.94 119.18 3n5l s TRP 86 Ca -0.15 0.70 0.07 0.00 -0.00 0.00 0.00 56.10 56.73 3n5l s TRP 86 Cb -0.09 -2.75 -0.04 0.00 -0.00 0.00 0.00 33.47 30.59 3n5l s TRP 86 CO 0.00 -0.28 -0.15 0.71 -0.00 0.00 0.00 176.95 177.23 3n5l s TYR 87 N 2.32 1.66 0.92 5.86 2.02 -1.15 -3.36 117.35 125.63 3n5l s TYR 87 Ca 0.23 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 3n5l s TYR 87 Cb -0.16 -0.80 0.14 0.00 -0.40 0.00 0.00 41.96 40.74 3n5l s TYR 87 CO 0.09 0.30 1.15 0.20 -1.57 0.00 0.00 175.55 175.72 3n5l s GLY 88 N -3.00 1.59 0.15 0.71 0.00 -1.26 -3.60 107.32 101.91 3n5l s GLY 88 Ca 0.18 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 44.16 3n5l s GLY 88 CO 0.06 -0.03 1.68 3.43 0.00 0.00 0.00 173.10 178.24 3n5l h ASN 89 N -1.52 0.72 -0.47 1.64 2.35 -1.90 -0.25 115.58 116.15 3n5l h ASN 89 Ca -0.49 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.03 3n5l h ASN 89 Cb 1.32 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 3n5l h ASN 89 CO 0.59 0.73 0.20 0.50 -1.65 0.00 0.00 177.43 177.80 3n5l h LYS 90 N 0.67 0.69 -0.49 0.81 3.64 -1.92 -2.80 116.57 117.18 3n5l h LYS 90 Ca 0.16 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3n5l h LYS 90 Cb 0.26 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3n5l h LYS 90 CO -0.01 0.61 0.02 0.00 -2.27 0.00 0.00 179.45 177.80 3n5l h ALA 91 N 1.05 1.11 0.00 5.00 0.00 -1.35 -1.91 119.26 123.15 3n5l h ALA 91 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3n5l h ALA 91 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3n5l h ALA 91 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3n5l n ALA 92 N -2.47 1.33 0.00 0.00 0.00 -0.14 -0.73 120.51 118.50 3n5l n ALA 92 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3n5l n ALA 92 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3n5l n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3n5l n GLU 94 N 0.79 0.00 -0.17 0.00 -0.58 -0.72 -0.49 120.64 119.47 3n5l n GLU 94 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3n5l n GLU 94 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 3n5l n GLU 94 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3n5l h ALA 95 N 0.00 0.68 -0.68 0.62 0.00 -1.20 0.26 119.26 118.94 3n5l h ALA 95 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3n5l h ALA 95 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3n5l h ALA 95 CO 0.00 0.54 0.34 0.28 0.00 0.00 0.00 179.25 180.41 3n5l h VAL 96 N 0.78 1.22 0.00 0.00 2.07 -0.98 0.52 116.25 119.86 3n5l h VAL 96 Ca 0.13 -0.61 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 3n5l h VAL 96 Cb 0.60 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3n5l h VAL 96 CO 0.04 0.26 -1.04 0.44 0.02 0.00 0.00 177.57 177.29 3n5l h ASP 97 N 0.94 0.00 0.00 0.57 3.32 -1.75 -3.37 116.42 116.13 3n5l h ASP 97 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3n5l h ASP 97 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3n5l h ASP 97 CO -0.03 0.92 -0.21 0.54 -1.72 0.00 0.00 179.24 178.73 3n5l n ARG 98 N -3.28 4.26 -0.46 3.56 1.74 0.89 -4.81 116.66 118.55 3n5l n ARG 98 Ca -0.02 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.12 3n5l n ARG 98 Cb 0.92 -0.52 0.13 0.00 -1.02 0.00 0.00 32.46 31.97 3n5l n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n5l n ALA 99 N -0.87 2.69 -4.25 7.54 0.00 0.02 -4.81 120.51 120.83 3n5l n ALA 99 Ca 0.00 -2.59 -0.34 0.00 0.00 0.00 0.00 53.44 50.51 3n5l n ALA 99 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 3n5l n ALA 99 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3n5l n HIS 100 N -0.91 -1.52 -2.69 0.00 1.44 -1.05 -4.25 115.22 106.24 3n5l n HIS 100 Ca 0.14 0.73 -0.27 0.00 -2.01 0.00 0.00 57.72 56.31 3n5l n HIS 100 Cb 0.72 -2.87 0.00 0.00 0.12 0.00 0.00 29.99 27.97 3n5l n HIS 100 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3n5l s GLY 101 N -3.70 1.50 -0.08 -1.39 0.00 -0.32 -0.53 107.32 102.80 3n5l s GLY 101 Ca 0.48 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 3n5l s GLY 101 CO 0.95 -0.43 0.18 1.85 0.00 0.00 0.00 173.10 175.66 3n5l s GLU 102 N -4.73 0.16 0.05 2.90 2.12 0.02 -4.35 118.70 114.87 3n5l s GLU 102 Ca 0.48 0.37 -0.30 0.00 0.36 0.00 0.00 54.97 55.87 3n5l s GLU 102 Cb -0.10 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 3n5l s GLU 102 CO 0.44 -0.12 1.02 0.42 -0.54 0.00 0.00 175.26 176.48 3n5l s ILE 103 N 0.82 4.59 0.00 -3.70 1.01 -1.26 -1.37 121.20 121.29 3n5l s ILE 103 Ca -0.06 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.54 3n5l s ILE 103 Cb -0.08 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3n5l s ILE 103 CO -0.04 0.20 0.00 2.22 0.00 0.00 0.00 174.94 177.31 3n5l n PHE 104 N 3.53 0.00 -3.86 3.97 -1.74 -0.88 -4.13 117.46 114.36 3n5l n PHE 104 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 3n5l n PHE 104 Cb 0.50 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.44 3n5l n PHE 104 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3n5l s ALA 105 N -1.11 -0.46 0.01 1.98 0.00 -1.22 -2.60 121.76 118.37 3n5l s ALA 105 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3n5l s ALA 105 Cb 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 3n5l s ALA 105 CO 0.00 -0.73 -0.02 -1.14 0.00 0.00 0.00 175.76 173.87 3n5l s GLN 106 N -3.92 0.17 0.42 0.00 0.74 0.99 -1.04 119.66 117.01 3n5l s GLN 106 Ca 0.13 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.07 3n5l s GLN 106 Cb 0.01 0.03 -0.09 0.00 1.10 0.00 0.00 33.01 34.06 3n5l s GLN 106 CO -0.01 -0.02 0.89 0.95 -0.55 0.00 0.00 175.29 176.55 3n5l s THR 107 N -0.70 4.54 -0.06 -0.34 -4.23 -0.20 -1.27 115.64 113.38 3n5l s THR 107 Ca -0.07 1.20 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 3n5l s THR 107 Cb -0.05 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.15 3n5l s THR 107 CO -0.00 -0.40 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.83 3n5l s VAL 108 N -2.27 1.32 0.40 2.29 1.01 -0.92 -4.48 120.40 117.75 3n5l s VAL 108 Ca 0.58 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 3n5l s VAL 108 Cb -0.10 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 3n5l s VAL 108 CO 0.21 0.39 1.47 0.00 0.00 0.00 0.00 175.10 177.16 3n5l n ALA 109 N 3.44 2.26 -0.19 5.51 0.00 -1.26 -0.65 120.51 129.62 3n5l n ALA 109 Ca -0.20 0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.71 3n5l n ALA 109 Cb 0.53 -2.41 0.48 0.00 0.00 0.00 0.00 19.45 18.05 3n5l n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n5l h ALA 110 N 2.77 2.08 0.00 0.00 0.00 -1.25 -1.13 119.26 121.73 3n5l h ALA 110 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3n5l h ALA 110 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3n5l h ALA 110 CO 0.63 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 3n5l n SER 111 N -4.50 0.49 0.00 0.00 3.41 -1.26 -4.61 113.62 107.15 3n5l n SER 111 Ca 0.16 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 3n5l n SER 111 Cb 0.54 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3n5l n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n5l n GLY 112 N 0.55 1.53 3.64 5.00 0.00 -0.43 -5.04 105.19 110.45 3n5l n GLY 112 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3n5l n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n5l n ALA 113 N -0.07 0.53 1.73 4.61 0.00 -1.26 -4.90 120.51 121.15 3n5l n ALA 113 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.74 3n5l n ALA 113 Cb 0.00 -2.14 0.51 0.00 0.00 0.00 0.00 19.45 17.82 3n5l n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3n5l n PRO 114 N -0.04 0.87 -1.79 0.00 -0.04 -1.26 -4.12 135.00 128.61 3n5l n PRO 114 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3n5l n PRO 114 Cb 0.40 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3n5l n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3n5l n GLY 115 N 0.59 -0.60 3.31 0.55 0.00 -1.26 -4.35 105.19 103.42 3n5l n GLY 115 Ca 0.13 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 3n5l n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n5l s TYR 116 N -3.48 1.80 0.02 1.61 1.13 -0.19 -4.93 117.35 113.33 3n5l s TYR 116 Ca 0.00 -1.66 0.03 0.00 -1.41 0.00 0.00 57.07 54.03 3n5l s TYR 116 Cb 0.00 -0.76 -0.02 0.00 -1.10 0.00 0.00 41.96 40.09 3n5l s TYR 116 CO 0.00 -0.85 -0.09 -1.58 -2.51 0.00 0.00 175.55 170.52 3n5l s TRP 117 N -3.38 0.82 0.43 -3.49 0.51 -1.26 -0.60 118.94 111.97 3n5l s TRP 117 Ca 0.40 -0.30 -0.22 0.00 -2.12 0.00 0.00 56.10 53.86 3n5l s TRP 117 Cb 0.02 -0.50 -0.10 0.00 -0.81 0.00 0.00 33.47 32.08 3n5l s TRP 117 CO 0.28 -0.02 0.99 0.45 -0.51 0.00 0.00 176.95 178.14 3n5l s SER 118 N -0.89 6.79 0.03 2.95 0.15 -1.26 -1.32 113.70 120.15 3n5l s SER 118 Ca -0.01 1.81 0.04 0.00 0.70 0.00 0.00 55.95 58.49 3n5l s SER 118 Cb -0.06 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 3n5l s SER 118 CO 0.00 -0.46 -0.12 -0.76 1.20 0.00 0.00 173.24 173.10 3n5l s LEU 119 N -3.08 2.15 -0.17 3.45 1.43 -0.54 -1.14 118.68 120.79 3n5l s LEU 119 Ca 0.62 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3n5l s LEU 119 Cb -0.14 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3n5l s LEU 119 CO 0.18 0.01 0.11 -0.76 0.23 0.00 0.00 176.35 176.12 3n5l s LEU 120 N -1.02 4.13 0.04 1.79 1.43 -0.43 -1.12 118.68 123.49 3n5l s LEU 120 Ca 0.00 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 3n5l s LEU 120 Cb -0.07 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3n5l s LEU 120 CO 0.01 0.25 -0.25 0.27 0.23 0.00 0.00 176.35 176.86 3n5l s ILE 121 N -0.10 2.25 0.32 -0.59 -4.36 -0.16 -0.39 121.20 118.16 3n5l s ILE 121 Ca 0.09 -1.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 3n5l s ILE 121 Cb -0.12 -1.88 -0.06 0.00 1.25 0.00 0.00 42.46 41.66 3n5l s ILE 121 CO 0.00 0.39 0.05 0.00 0.24 0.00 0.00 174.94 175.62 3n5l s ALA 122 N -0.80 2.33 0.17 2.27 0.00 -0.30 -1.45 121.76 123.98 3n5l s ALA 122 Ca 0.12 -2.04 -0.30 0.00 0.00 0.00 0.00 51.96 49.74 3n5l s ALA 122 Cb -0.10 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 3n5l s ALA 122 CO 0.02 -0.30 0.97 1.21 0.00 0.00 0.00 175.76 177.67 3n5l s ASN 123 N -3.48 7.52 0.64 0.00 3.84 -1.26 -0.18 114.94 122.03 3n5l s ASN 123 Ca 0.36 1.90 0.37 0.00 0.21 0.00 0.00 52.86 55.70 3n5l s ASN 123 Cb 0.08 -2.60 2.06 0.00 -0.55 0.00 0.00 41.25 40.24 3n5l s ASN 123 CO 0.15 -0.00 2.22 0.07 -2.79 0.00 0.00 177.10 176.75 3n5l h LYS 124 N 4.95 0.00 0.00 0.43 2.10 -0.85 -1.79 116.57 121.41 3n5l h LYS 124 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3n5l h LYS 124 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3n5l h LYS 124 CO 0.70 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.90 3n5l n ASP 125 N -3.28 0.82 -4.93 7.07 8.00 -1.26 -4.88 116.55 118.09 3n5l n ASP 125 Ca -0.02 0.59 -0.26 0.00 0.71 0.00 0.00 54.79 55.82 3n5l n ASP 125 Cb 0.18 -0.81 0.03 0.00 -0.02 0.00 0.00 41.12 40.51 3n5l n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3n5l s SER 126 N -4.53 5.50 0.00 -2.24 1.04 -0.68 -4.99 113.70 107.81 3n5l s SER 126 Ca 0.10 0.56 0.30 0.00 0.48 0.00 0.00 55.95 57.39 3n5l s SER 126 Cb 0.12 -1.54 1.47 0.00 0.10 0.00 0.00 66.02 66.17 3n5l s SER 126 CO 0.57 -1.09 1.98 0.29 0.98 0.00 0.00 173.24 175.97 3n5l n LYS 127 N -2.54 1.32 -2.59 4.02 5.02 -1.26 -4.76 118.16 117.37 3n5l n LYS 127 Ca 0.05 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.44 3n5l n LYS 127 Cb 0.58 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3n5l n LYS 127 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n5l s ILE 128 N -2.01 3.93 -0.68 -0.18 1.01 -1.26 -4.81 121.20 117.19 3n5l s ILE 128 Ca 0.43 0.62 0.06 0.00 0.00 0.00 0.00 60.65 61.76 3n5l s ILE 128 Cb 0.21 -4.79 0.04 0.00 0.01 0.00 0.00 42.46 37.93 3n5l s ILE 128 CO 0.36 -1.55 0.64 0.47 0.00 0.00 0.00 174.94 174.86 3n5l n ASP 129 N 8.75 1.37 -3.92 3.58 8.00 -1.26 -4.84 116.55 128.22 3n5l n ASP 129 Ca 0.05 -1.18 -0.08 0.00 0.71 0.00 0.00 54.79 54.29 3n5l n ASP 129 Cb 0.49 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 3n5l n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3n5l s SER 130 N -0.58 -0.14 0.19 -2.24 1.04 -1.26 -4.76 113.70 105.96 3n5l s SER 130 Ca 0.06 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 3n5l s SER 130 Cb 0.05 0.64 0.15 0.00 0.10 0.00 0.00 66.02 66.96 3n5l s SER 130 CO 0.09 -1.23 1.83 0.25 0.98 0.00 0.00 173.24 175.16 3n5l h LEU 131 N 2.16 0.59 -0.85 2.42 5.85 -1.97 -2.52 115.31 120.99 3n5l h LEU 131 Ca -0.24 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3n5l h LEU 131 Cb 1.25 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3n5l h LEU 131 CO 0.31 0.41 0.41 -0.08 -0.34 0.00 0.00 178.44 179.15 3n5l h GLU 132 N 0.72 1.22 -0.44 1.25 4.22 -1.96 -0.40 114.58 119.20 3n5l h GLU 132 Ca 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.51 3n5l h GLU 132 Cb 0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3n5l h GLU 132 CO -0.11 0.93 0.00 -0.25 -2.18 0.00 0.00 179.01 177.40 3n5l n ASP 133 N -4.31 0.00 0.00 1.04 8.00 -0.95 -0.77 116.55 119.56 3n5l n ASP 133 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3n5l n ASP 133 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3n5l n ASP 133 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n5l n LEU 135 N 0.58 0.00 -0.37 0.64 4.77 -0.16 -1.88 117.00 120.58 3n5l n LEU 135 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3n5l n LEU 135 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3n5l n LEU 135 CO 0.00 0.00 1.26 0.00 -1.33 0.00 0.00 177.39 177.32 3n5l h ALA 136 N 0.00 1.42 -0.65 -1.18 0.00 -1.20 -2.79 119.26 114.87 3n5l h ALA 136 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n5l h ALA 136 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3n5l h ALA 136 CO 0.00 0.41 0.00 0.09 0.00 0.00 0.00 179.25 179.75 3n5l n ASN 137 N -4.52 4.36 -0.31 0.00 3.02 -0.79 -4.70 115.26 112.33 3n5l n ASN 137 Ca 0.16 -2.29 0.13 0.00 -0.03 0.00 0.00 54.58 52.55 3n5l n ASN 137 Cb 0.21 -0.53 0.31 0.00 -0.61 0.00 0.00 39.78 39.16 3n5l n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n5l h ALA 138 N 3.94 1.48 0.00 5.41 0.00 -1.74 -0.27 119.26 128.08 3n5l h ALA 138 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3n5l h ALA 138 Cb 1.26 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3n5l h ALA 138 CO 0.14 -0.27 -0.01 1.57 0.00 0.00 0.00 179.25 180.68 3n5l h LYS 139 N 0.48 0.00 -0.02 0.00 -0.00 -1.78 -0.81 116.57 114.45 3n5l h LYS 139 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.21 3n5l h LYS 139 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.24 3n5l h LYS 139 CO -0.48 0.01 -0.17 0.43 -0.00 0.00 0.00 179.45 179.23 3n5l n SER 140 N -3.66 2.29 -4.64 7.07 7.64 -0.12 -3.49 113.62 118.71 3n5l n SER 140 Ca -0.03 -1.67 -0.28 0.00 1.01 0.00 0.00 58.87 57.90 3n5l n SER 140 Cb 0.09 0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 3n5l n SER 140 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3n5l s LEU 141 N -2.20 3.26 -0.23 -3.43 1.43 -0.33 -4.85 118.68 112.33 3n5l s LEU 141 Ca 0.26 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3n5l s LEU 141 Cb 0.19 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3n5l s LEU 141 CO 0.41 0.12 0.11 -0.89 0.23 0.00 0.00 176.35 176.33 3n5l s THR 142 N -1.55 4.87 -0.18 5.49 2.01 -1.26 -1.40 115.64 123.61 3n5l s THR 142 Ca 0.26 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 3n5l s THR 142 Cb -0.10 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 3n5l s THR 142 CO 0.17 0.37 -0.05 0.12 -0.69 0.00 0.00 174.62 174.54 3n5l s PHE 143 N 1.09 2.95 -0.81 4.92 5.36 -0.40 -0.89 117.98 130.20 3n5l s PHE 143 Ca 0.06 -0.64 -0.17 0.00 -0.96 0.00 0.00 56.93 55.21 3n5l s PHE 143 Cb -0.14 -2.01 0.16 0.00 -0.34 0.00 0.00 43.02 40.69 3n5l s PHE 143 CO 0.04 -0.30 0.89 0.20 -1.46 0.00 0.00 175.22 174.59 3n5l s GLY 144 N 0.89 2.16 0.80 13.12 0.00 0.44 -1.07 107.32 123.66 3n5l s GLY 144 Ca -0.01 -2.84 -0.12 0.00 0.00 0.00 0.00 44.72 41.76 3n5l s GLY 144 CO 0.01 1.63 1.12 0.21 0.00 0.00 0.00 173.10 176.07 3n5l s ASN 145 N 3.10 4.52 0.71 1.64 3.84 0.05 -1.66 114.94 127.13 3n5l s ASN 145 Ca 0.22 1.11 -0.01 0.00 0.21 0.00 0.00 52.86 54.40 3n5l s ASN 145 Cb -0.11 -1.79 0.13 0.00 -0.55 0.00 0.00 41.25 38.92 3n5l s ASN 145 CO -0.05 -1.93 0.89 0.61 -2.79 0.00 0.00 177.10 173.82 3n5l n GLY 146 N -2.52 0.60 3.67 1.21 0.00 -0.65 -2.06 105.19 105.45 3n5l n GLY 146 Ca 0.07 -2.01 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 3n5l n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n5l n ASP 147 N -2.94 3.23 0.28 1.61 -0.08 -1.09 -4.30 116.55 113.26 3n5l n ASP 147 Ca 0.15 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.69 3n5l n ASP 147 Cb 0.52 -1.44 0.99 0.00 2.34 0.00 0.00 41.12 43.53 3n5l n ASP 147 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3n5l h PRO 148 N 6.32 0.00 -0.64 -0.67 0.13 -1.94 -0.02 132.00 135.18 3n5l h PRO 148 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3n5l h PRO 148 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3n5l h PRO 148 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 3n5l n ASN 149 N -2.85 4.27 -4.78 1.44 3.02 -1.26 -4.78 115.26 110.32 3n5l n ASN 149 Ca -0.02 -2.50 -0.37 0.00 -0.03 0.00 0.00 54.58 51.66 3n5l n ASN 149 Cb 0.09 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 3n5l n ASN 149 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3n5l s SER 150 N -0.75 6.62 -0.00 6.41 0.15 -0.02 -2.91 113.70 123.20 3n5l s SER 150 Ca 0.43 0.74 -0.23 0.00 0.70 0.00 0.00 55.95 57.58 3n5l s SER 150 Cb 0.29 -2.22 -0.13 0.00 -1.71 0.00 0.00 66.02 62.25 3n5l s SER 150 CO 0.18 0.18 0.97 0.74 1.20 0.00 0.00 173.24 176.51 3n5l h THR 151 N 4.29 0.00 0.00 6.45 2.02 -1.92 -1.89 112.91 121.87 3n5l h THR 151 Ca -0.46 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 3n5l h THR 151 Cb 1.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3n5l h THR 151 CO 0.69 0.00 -0.46 0.77 0.37 0.00 0.00 175.52 176.89 3n5l h SER 152 N -1.21 0.00 1.16 4.18 4.64 -1.95 -0.29 113.55 120.08 3n5l h SER 152 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3n5l h SER 152 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3n5l h SER 152 CO 0.14 0.46 -0.64 1.23 -0.87 0.00 0.00 176.83 177.15 3n5l h GLY 153 N 2.62 0.00 0.00 -0.77 0.00 -1.82 -3.41 103.07 99.70 3n5l h GLY 153 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n5l h GLY 153 CO 0.06 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.58 3n5l n TYR 154 N -2.54 -2.72 0.14 5.60 4.19 -0.96 -1.63 117.16 119.24 3n5l n TYR 154 Ca 0.02 0.54 -0.14 0.00 3.31 0.00 0.00 57.90 61.63 3n5l n TYR 154 Cb 0.50 0.83 -0.08 0.00 0.49 0.00 0.00 39.34 41.09 3n5l n TYR 154 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 3n5l h LEU 155 N 0.00 -0.27 0.49 2.98 5.85 -1.15 0.19 115.31 123.39 3n5l h LEU 155 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3n5l h LEU 155 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3n5l h LEU 155 CO 0.00 -0.05 -0.23 0.58 -0.34 0.00 0.00 178.44 178.40 3n5l h VAL 156 N -0.48 0.49 -0.33 1.05 2.07 -1.32 -0.65 116.25 117.08 3n5l h VAL 156 Ca -0.03 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3n5l h VAL 156 Cb 0.36 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3n5l h VAL 156 CO 0.05 0.04 -0.16 1.55 0.02 0.00 0.00 177.57 179.08 3n5l h PRO 157 N -0.81 0.58 -1.00 1.57 0.13 -1.78 -0.07 132.00 130.62 3n5l h PRO 157 Ca -0.07 -0.19 0.20 0.00 -0.87 0.00 0.00 66.00 65.07 3n5l h PRO 157 Cb 0.57 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.55 3n5l h PRO 157 CO 0.11 0.72 0.61 0.78 -0.23 0.00 0.00 178.00 180.00 3n5l h GLY 158 N 0.97 1.67 0.00 1.56 0.00 -0.37 0.16 103.07 107.07 3n5l h GLY 158 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3n5l h GLY 158 CO 0.04 -0.06 -0.20 -1.82 0.00 0.00 0.00 176.54 174.50 3n5l h TYR 159 N 0.71 0.00 -0.01 5.60 3.20 -0.78 0.63 116.97 126.32 3n5l h TYR 159 Ca 0.57 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.30 3n5l h TYR 159 Cb 0.96 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3n5l h TYR 159 CO -0.00 0.00 -0.66 1.88 -1.64 0.00 0.00 178.16 177.73 3n5l h TYR 160 N -0.98 0.05 0.00 -3.82 0.05 -0.95 -1.06 116.97 110.26 3n5l h TYR 160 Ca 0.00 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3n5l h TYR 160 Cb 0.20 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3n5l h TYR 160 CO -0.09 0.69 -0.93 0.28 -1.05 0.00 0.00 178.16 177.06 3n5l n VAL 161 N -3.77 1.47 -0.06 -2.88 0.31 -0.06 -4.51 118.33 108.84 3n5l n VAL 161 Ca -0.01 0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.37 3n5l n VAL 161 Cb 0.65 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 3n5l n VAL 161 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3n5l h PHE 162 N -1.00 0.00 -0.36 3.52 0.04 -1.32 -2.94 116.94 114.88 3n5l h PHE 162 Ca -0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3n5l h PHE 162 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 3n5l h PHE 162 CO -0.27 0.48 0.18 0.00 -0.60 0.00 0.00 178.31 178.09 3n5l h ALA 163 N -0.56 0.46 -0.27 2.45 0.00 -0.74 -0.44 119.26 120.16 3n5l h ALA 163 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3n5l h ALA 163 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3n5l h ALA 163 CO -0.01 0.02 0.05 0.87 0.00 0.00 0.00 179.25 180.18 3n5l h LYS 164 N 0.45 0.39 -0.40 0.00 1.79 -1.35 -1.89 116.57 115.56 3n5l h LYS 164 Ca 0.12 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3n5l h LYS 164 Cb 0.10 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3n5l h LYS 164 CO -0.02 0.38 0.00 0.09 -1.08 0.00 0.00 179.45 178.82 3n5l n ASN 165 N -4.37 2.97 -3.86 0.86 3.02 -1.11 -4.98 115.26 107.79 3n5l n ASN 165 Ca 0.01 -1.93 -0.26 0.00 -0.03 0.00 0.00 54.58 52.36 3n5l n ASN 165 Cb 0.18 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3n5l n ASN 165 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3n5l n ASN 166 N 1.15 -1.45 -4.03 6.41 5.15 -0.54 -5.00 115.26 116.95 3n5l n ASN 166 Ca 0.19 -0.99 -0.29 0.00 -0.60 0.00 0.00 54.58 52.89 3n5l n ASN 166 Cb 0.51 -3.25 -0.17 0.00 -0.53 0.00 0.00 39.78 36.35 3n5l n ASN 166 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3n5l s VAL 167 N -3.82 1.50 -0.41 3.44 1.01 -0.29 -5.04 120.40 116.80 3n5l s VAL 167 Ca 0.10 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3n5l s VAL 167 Cb -0.04 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3n5l s VAL 167 CO 0.87 0.45 0.54 -0.62 0.00 0.00 0.00 175.10 176.33 3n5l s ASP 168 N 1.26 6.28 0.24 3.32 -1.08 -1.26 -4.44 116.67 120.99 3n5l s ASP 168 Ca -0.01 -0.37 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 3n5l s ASP 168 Cb -0.14 -2.27 0.34 0.00 -1.46 0.00 0.00 42.92 39.39 3n5l s ASP 168 CO -0.06 -0.63 1.84 1.55 0.52 0.00 0.00 175.17 178.39 3n5l h PRO 169 N 8.71 0.88 -0.40 4.34 0.13 -1.98 0.50 132.00 144.17 3n5l h PRO 169 Ca -0.26 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.87 3n5l h PRO 169 Cb 1.11 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 3n5l h PRO 169 CO 0.83 0.58 0.27 0.28 -0.23 0.00 0.00 178.00 179.73 3n5l h VAL 170 N 0.91 0.96 0.00 1.56 2.07 -1.94 -2.55 116.25 117.26 3n5l h VAL 170 Ca 0.37 -0.11 -0.22 0.00 0.82 0.00 0.00 66.70 67.57 3n5l h VAL 170 Cb 0.22 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3n5l h VAL 170 CO -0.19 0.06 -1.99 0.29 0.02 0.00 0.00 177.57 175.75 3n5l n LYS 171 N -4.48 0.66 0.09 1.57 5.02 -0.74 -4.61 118.16 115.67 3n5l n LYS 171 Ca 0.05 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 3n5l n LYS 171 Cb 0.25 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.51 3n5l n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n5l h ALA 172 N 1.37 0.15 -2.31 7.82 0.00 -0.52 -3.46 119.26 122.32 3n5l h ALA 172 Ca -0.29 -0.94 -0.49 0.00 0.00 0.00 0.00 54.91 53.18 3n5l h ALA 172 Cb 1.74 0.05 0.04 0.00 0.00 0.00 0.00 17.79 19.63 3n5l h ALA 172 CO 0.03 1.03 0.15 -0.06 0.00 0.00 0.00 179.25 180.40 3n5l s PHE 173 N -2.65 3.57 0.23 0.00 0.08 -1.09 -2.58 117.98 115.54 3n5l s PHE 173 Ca -0.05 0.87 -0.07 0.00 0.12 0.00 0.00 56.93 57.81 3n5l s PHE 173 Cb 0.07 -2.35 0.28 0.00 -0.57 0.00 0.00 43.02 40.45 3n5l s PHE 173 CO 0.87 -0.33 1.87 -0.22 -0.10 0.00 0.00 175.22 177.31 3n5l h LYS 174 N 0.16 0.99 -2.70 0.44 3.64 -1.01 -3.45 116.57 114.63 3n5l h LYS 174 Ca -0.47 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3n5l h LYS 174 Cb 1.20 -0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 3n5l h LYS 174 CO 0.62 0.65 0.22 -0.98 -2.27 0.00 0.00 179.45 177.69 3n5l s ARG 175 N -6.09 1.20 -0.04 1.90 1.70 -1.21 -5.03 118.95 111.38 3n5l s ARG 175 Ca -0.13 -0.28 0.02 0.00 -0.47 0.00 0.00 55.73 54.88 3n5l s ARG 175 Cb 0.17 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 35.12 3n5l s ARG 175 CO 0.79 -0.49 -0.10 0.95 -1.08 0.00 0.00 175.30 175.37 3n5l s THR 176 N -3.06 0.89 0.35 4.99 -4.23 -1.26 -1.28 115.64 112.04 3n5l s THR 176 Ca -0.02 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 3n5l s THR 176 Cb -0.01 -0.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 3n5l s THR 176 CO -0.07 0.28 0.07 -0.76 -0.54 0.00 0.00 174.62 173.61 3n5l s LEU 177 N 0.39 3.09 -0.07 4.79 1.02 -0.23 -4.98 118.68 122.68 3n5l s LEU 177 Ca -0.07 -0.92 -0.00 0.00 0.02 0.00 0.00 54.13 53.15 3n5l s LEU 177 Cb -0.11 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.63 3n5l s LEU 177 CO 0.01 -0.28 -0.03 0.20 0.02 0.00 0.00 176.35 176.27 3n5l s ASN 178 N -3.78 1.56 0.22 2.29 0.01 -1.26 -0.77 114.94 113.21 3n5l s ASN 178 Ca 0.36 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 52.24 3n5l s ASN 178 Cb -0.01 -0.55 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 3n5l s ASN 178 CO 0.21 -0.13 0.42 -0.44 -1.51 0.00 0.00 177.10 175.64 3n5l s SER 179 N 1.57 -0.06 0.87 -1.22 0.01 -0.87 -4.90 113.70 109.09 3n5l s SER 179 Ca -0.00 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.23 3n5l s SER 179 Cb -0.13 0.54 0.11 0.00 0.21 0.00 0.00 66.02 66.75 3n5l s SER 179 CO -0.04 -1.06 1.10 -0.94 0.41 0.00 0.00 173.24 172.70 3n5l s SER 180 N -3.01 3.80 0.13 2.44 1.04 -1.26 -2.67 113.70 114.17 3n5l s SER 180 Ca 0.21 1.39 -0.25 0.00 0.48 0.00 0.00 55.95 57.78 3n5l s SER 180 Cb 0.01 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 3n5l s SER 180 CO 0.06 -2.42 1.63 0.45 0.98 0.00 0.00 173.24 173.94 3n5l h HIS 181 N -1.40 -0.74 -0.38 5.02 3.86 -1.80 -0.60 115.15 119.12 3n5l h HIS 181 Ca -0.49 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.77 3n5l h HIS 181 Cb 1.28 0.34 -0.03 0.00 1.06 0.00 0.00 27.41 30.07 3n5l h HIS 181 CO 0.43 -0.36 0.22 1.49 0.86 0.00 0.00 177.93 180.57 3n5l h GLU 182 N -0.37 0.44 -0.44 2.45 4.81 -1.78 -1.38 114.58 118.31 3n5l h GLU 182 Ca 0.09 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3n5l h GLU 182 Cb 0.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3n5l h GLU 182 CO -0.30 0.29 0.27 0.28 -0.73 0.00 0.00 179.01 178.82 3n5l h VAL 183 N 0.45 1.06 -0.40 0.32 2.07 -1.79 -1.56 116.25 116.40 3n5l h VAL 183 Ca 0.15 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3n5l h VAL 183 Cb 0.01 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3n5l h VAL 183 CO -0.07 0.10 0.15 0.78 0.02 0.00 0.00 177.57 178.55 3n5l h ASN 184 N 0.54 0.18 -0.50 0.57 2.35 -0.85 0.59 115.58 118.46 3n5l h ASN 184 Ca 0.17 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3n5l h ASN 184 Cb -0.00 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3n5l h ASN 184 CO -0.07 0.14 0.09 0.00 -1.65 0.00 0.00 177.43 175.94 3n5l h ALA 185 N 1.25 0.66 -0.37 -0.83 0.00 -0.83 -1.26 119.26 117.87 3n5l h ALA 185 Ca 0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3n5l h ALA 185 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3n5l h ALA 185 CO -0.17 0.38 -0.22 -0.07 0.00 0.00 0.00 179.25 179.17 3n5l h LEU 186 N 0.69 0.74 -1.30 0.00 3.38 -1.22 -1.55 115.31 116.05 3n5l h LEU 186 Ca 0.15 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3n5l h LEU 186 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3n5l h LEU 186 CO 0.01 0.94 -0.07 0.00 0.09 0.00 0.00 178.44 179.41 3n5l h ALA 187 N 1.11 1.43 -0.05 1.53 0.00 -0.44 0.22 119.26 123.06 3n5l h ALA 187 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3n5l h ALA 187 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3n5l h ALA 187 CO 0.06 0.40 -0.19 0.28 0.00 0.00 0.00 179.25 179.79 3n5l h VAL 188 N 0.37 1.45 -0.95 0.00 2.07 -0.96 0.20 116.25 118.43 3n5l h VAL 188 Ca 0.08 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3n5l h VAL 188 Cb 0.36 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 3n5l h VAL 188 CO 0.02 0.45 0.63 0.00 0.02 0.00 0.00 177.57 178.68 3n5l h ALA 189 N 0.42 1.21 -0.39 1.67 0.00 -0.96 -2.46 119.26 118.76 3n5l h ALA 189 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n5l h ALA 189 Cb 0.83 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3n5l h ALA 189 CO 0.04 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.96 3n5l n ASN 190 N -4.43 2.83 -1.93 0.00 3.02 0.76 -4.95 115.26 110.56 3n5l n ASN 190 Ca 0.11 -2.20 -0.21 0.00 -0.03 0.00 0.00 54.58 52.25 3n5l n ASN 190 Cb 0.03 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 3n5l n ASN 190 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n5l n LYS 191 N 0.61 -1.53 0.08 3.52 5.02 -0.92 -4.89 118.16 120.05 3n5l n LYS 191 Ca 0.15 1.13 -0.17 0.00 -2.02 0.00 0.00 58.31 57.39 3n5l n LYS 191 Cb 0.52 -5.62 -0.10 0.00 -0.02 0.00 0.00 35.03 29.82 3n5l n LYS 191 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3n5l h GLN 192 N 0.00 0.48 -5.82 1.97 4.15 -0.88 -3.46 115.11 111.55 3n5l h GLN 192 Ca -0.45 -0.61 -0.50 0.00 0.77 0.00 0.00 58.65 57.86 3n5l h GLN 192 Cb 1.35 0.19 -0.19 0.00 0.21 0.00 0.00 27.48 29.05 3n5l h GLN 192 CO 0.60 1.24 -0.79 0.14 -1.93 0.00 0.00 178.83 178.09 3n5l s VAL 193 N -3.04 1.62 0.02 2.39 -7.23 -0.97 -4.99 120.40 108.20 3n5l s VAL 193 Ca -0.07 -1.74 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3n5l s VAL 193 Cb 0.07 -1.65 -0.30 0.00 0.56 0.00 0.00 36.38 35.07 3n5l s VAL 193 CO 0.90 -0.27 0.93 0.44 -0.31 0.00 0.00 175.10 176.78 3n5l h ASP 194 N 3.58 0.51 -4.89 4.85 3.32 -1.34 -3.38 116.42 119.07 3n5l h ASP 194 Ca -0.42 -0.63 -0.15 0.00 0.02 0.00 0.00 57.03 55.84 3n5l h ASP 194 Cb 1.20 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 40.37 3n5l h ASP 194 CO 0.47 1.52 -0.50 0.68 -1.72 0.00 0.00 179.24 179.69 3n5l s VAL 195 N -2.62 0.08 0.15 -1.35 -7.23 -1.11 -4.06 120.40 104.26 3n5l s VAL 195 Ca -0.09 -0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 59.27 3n5l s VAL 195 Cb 0.06 -0.41 0.04 0.00 0.56 0.00 0.00 36.38 36.63 3n5l s VAL 195 CO 0.88 -0.36 0.45 0.00 -0.31 0.00 0.00 175.10 175.76 3n5l s ALA 196 N -1.28 -0.97 0.42 1.32 0.00 -0.53 -0.42 121.76 120.30 3n5l s ALA 196 Ca -0.14 -0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 3n5l s ALA 196 Cb -0.07 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 3n5l s ALA 196 CO 0.01 -0.70 0.85 0.95 0.00 0.00 0.00 175.76 176.88 3n5l s THR 197 N -3.82 4.62 0.00 0.00 -4.23 -0.66 -0.99 115.64 110.56 3n5l s THR 197 Ca 0.05 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 3n5l s THR 197 Cb 0.01 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3n5l s THR 197 CO -0.09 -0.44 0.00 0.33 -0.54 0.00 0.00 174.62 173.87 3n5l n PHE 198 N -1.01 -0.60 -3.62 3.99 7.35 -0.28 -4.70 117.46 118.59 3n5l n PHE 198 Ca 0.05 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.64 3n5l n PHE 198 Cb 0.54 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.34 3n5l n PHE 198 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3n5l s ASN 199 N -0.21 -0.40 0.38 -2.13 2.20 -1.26 -1.47 114.94 112.04 3n5l s ASN 199 Ca 0.00 -0.28 0.17 0.00 -0.94 0.00 0.00 52.86 51.81 3n5l s ASN 199 Cb 0.00 0.62 0.74 0.00 -2.00 0.00 0.00 41.25 40.61 3n5l s ASN 199 CO 0.00 -1.08 1.78 0.71 -2.94 0.00 0.00 177.10 175.57 3n5l h THR 200 N 2.07 1.00 -0.13 0.54 1.35 -1.54 -3.03 112.91 113.17 3n5l h THR 200 Ca -0.29 -1.43 -0.10 0.00 -0.55 0.00 0.00 66.41 64.04 3n5l h THR 200 Cb 1.28 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3n5l h THR 200 CO 0.35 0.37 -0.32 -0.33 -0.25 0.00 0.00 175.52 175.33 3n5l h GLU 201 N 0.00 0.44 -1.23 4.72 5.08 -1.97 -2.27 114.58 119.34 3n5l h GLU 201 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3n5l h GLU 201 Cb 0.81 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3n5l h GLU 201 CO 0.05 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 179.39 3n5l n GLY 202 N 0.50 0.00 0.87 -3.84 0.00 -1.15 -1.87 105.19 99.71 3n5l n GLY 202 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3n5l n GLY 202 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3n5l n GLU 204 N 0.75 0.00 -0.34 1.61 2.13 -0.86 -0.61 120.64 123.32 3n5l n GLU 204 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3n5l n GLU 204 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 3n5l n GLU 204 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3n5l h ARG 205 N 0.00 1.26 -0.55 5.31 2.47 -1.66 -2.46 114.38 118.76 3n5l h ARG 205 Ca 0.00 -0.13 -0.11 0.00 -1.26 0.00 0.00 59.98 58.48 3n5l h ARG 205 Cb 0.00 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.04 3n5l h ARG 205 CO 0.00 0.90 -0.09 1.25 0.56 0.00 0.00 179.97 182.60 3n5l h LEU 206 N 1.28 1.01 -1.34 3.04 5.85 -1.14 -0.45 115.31 123.55 3n5l h LEU 206 Ca 0.33 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3n5l h LEU 206 Cb -0.02 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3n5l h LEU 206 CO -0.06 1.10 0.46 -0.33 -0.34 0.00 0.00 178.44 179.27 3n5l h GLU 207 N 0.90 0.87 -0.05 1.25 5.08 -1.74 0.20 114.58 121.10 3n5l h GLU 207 Ca 0.15 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3n5l h GLU 207 Cb 0.64 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3n5l h GLU 207 CO 0.04 0.58 -0.16 1.25 -1.00 0.00 0.00 179.01 179.72 3n5l h LEU 208 N 0.90 0.23 0.21 1.33 5.85 -1.18 -3.23 115.31 119.41 3n5l h LEU 208 Ca 0.26 -0.62 -0.35 0.00 0.84 0.00 0.00 57.88 58.01 3n5l h LEU 208 Cb -0.05 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 40.93 3n5l h LEU 208 CO -0.06 0.81 -1.66 0.71 -0.34 0.00 0.00 178.44 177.89 3n5l h THR 209 N -0.34 1.04 -2.01 1.05 1.35 -0.86 -3.41 112.91 109.73 3n5l h THR 209 Ca -0.01 -2.56 -0.55 0.00 -0.55 0.00 0.00 66.41 62.75 3n5l h THR 209 Cb 0.79 2.85 -0.39 0.00 -1.73 0.00 0.00 68.15 69.67 3n5l h THR 209 CO 0.03 0.84 -1.10 0.00 -0.25 0.00 0.00 175.52 175.04 3n5l n GLN 210 N -3.64 0.87 -0.15 4.72 6.02 0.70 -4.98 117.38 120.92 3n5l n GLN 210 Ca -0.23 -3.33 0.14 0.00 -0.01 0.00 0.00 57.00 53.57 3n5l n GLN 210 Cb 1.08 -1.37 0.50 0.00 1.02 0.00 0.00 30.24 31.47 3n5l n GLN 210 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3n5l h PRO 211 N 3.79 0.41 -0.46 -1.09 0.13 -1.56 0.44 132.00 133.66 3n5l h PRO 211 Ca 0.08 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3n5l h PRO 211 Cb 0.89 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 3n5l h PRO 211 CO 0.49 0.27 0.21 0.93 -0.23 0.00 0.00 178.00 179.68 3n5l h GLU 212 N 0.43 0.64 0.21 0.86 3.07 -1.90 -1.03 114.58 116.86 3n5l h GLU 212 Ca 0.35 -0.07 -0.29 0.00 -0.50 0.00 0.00 59.36 58.84 3n5l h GLU 212 Cb 0.75 -0.13 0.03 0.00 -0.84 0.00 0.00 28.75 28.57 3n5l h GLU 212 CO -0.11 0.51 -1.27 0.87 -1.40 0.00 0.00 179.01 177.61 3n5l h LYS 213 N 0.65 0.45 -0.80 2.33 1.79 -1.29 -3.26 116.57 116.43 3n5l h LYS 213 Ca 0.16 -0.77 0.06 0.00 -2.18 0.00 0.00 60.65 57.92 3n5l h LYS 213 Cb 0.08 0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 3n5l h LYS 213 CO -0.02 1.37 0.53 0.00 -1.08 0.00 0.00 179.45 180.24 3n5l h ALA 214 N 0.12 1.60 -0.07 3.86 0.00 -1.15 -1.20 119.26 122.42 3n5l h ALA 214 Ca -0.22 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3n5l h ALA 214 Cb 1.98 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3n5l h ALA 214 CO 0.23 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.83 3n5l h ARG 215 N 0.90 0.00 -0.00 0.00 3.08 -1.23 -2.05 114.38 115.07 3n5l h ARG 215 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3n5l h ARG 215 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3n5l h ARG 215 CO -0.12 0.00 -0.06 1.04 -1.07 0.00 0.00 179.97 179.76 3n5l n GLN 216 N -3.90 0.25 -3.53 0.04 1.13 -0.45 -4.88 117.38 106.03 3n5l n GLN 216 Ca -0.01 -0.04 -0.35 0.00 -1.94 0.00 0.00 57.00 54.66 3n5l n GLN 216 Cb 0.17 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.96 3n5l n GLN 216 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3n5l s LEU 217 N -2.78 4.36 -0.10 1.08 1.43 -0.77 -0.19 118.68 121.71 3n5l s LEU 217 Ca 0.21 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3n5l s LEU 217 Cb 0.19 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3n5l s LEU 217 CO 0.51 0.17 -0.20 -0.75 0.23 0.00 0.00 176.35 176.32 3n5l s LYS 218 N -1.84 2.65 -0.16 1.70 2.20 0.74 -4.68 119.74 120.36 3n5l s LYS 218 Ca 0.33 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 3n5l s LYS 218 Cb -0.14 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 3n5l s LYS 218 CO 0.18 0.08 1.15 0.08 -0.36 0.00 0.00 175.35 176.47 3n5l s VAL 219 N 0.58 4.47 -0.76 4.02 1.01 -1.26 -1.15 120.40 127.32 3n5l s VAL 219 Ca -0.14 1.78 0.15 0.00 0.00 0.00 0.00 61.98 63.77 3n5l s VAL 219 Cb -0.17 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 3n5l s VAL 219 CO 0.05 -0.10 0.67 2.30 0.00 0.00 0.00 175.10 178.01 3n5l n ILE 220 N 5.09 0.00 -3.59 2.22 -5.35 0.48 -4.96 119.36 113.24 3n5l n ILE 220 Ca 0.12 -0.14 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 3n5l n ILE 220 Cb 0.46 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.30 3n5l n ILE 220 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3n5l s TRP 221 N -2.45 -0.65 -0.02 4.28 -0.00 -1.18 -3.45 118.94 115.47 3n5l s TRP 221 Ca 0.06 1.41 0.01 0.00 -0.00 0.00 0.00 56.10 57.58 3n5l s TRP 221 Cb 0.12 0.35 0.01 0.00 -0.00 0.00 0.00 33.47 33.95 3n5l s TRP 221 CO 0.63 -0.42 -0.03 0.21 -0.00 0.00 0.00 176.95 177.35 3n5l s LYS 222 N -0.29 0.40 0.85 5.86 2.20 -1.26 -1.32 119.74 126.19 3n5l s LYS 222 Ca -0.03 -0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.42 3n5l s LYS 222 Cb -0.03 -0.47 0.14 0.00 -1.51 0.00 0.00 37.83 35.96 3n5l s LYS 222 CO 0.02 -0.03 1.19 -1.54 -0.36 0.00 0.00 175.35 174.64 3n5l s SER 223 N 0.52 3.91 0.91 1.43 1.04 -0.29 -5.00 113.70 116.21 3n5l s SER 223 Ca -0.05 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 3n5l s SER 223 Cb -0.09 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.53 3n5l s SER 223 CO -0.01 -2.22 1.11 -2.84 0.98 0.00 0.00 173.24 170.26 3n5l s PRO 224 N -5.60 1.11 0.28 4.02 0.02 -1.26 -4.72 135.00 128.84 3n5l s PRO 224 Ca 0.68 1.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.63 3n5l s PRO 224 Cb -0.07 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 3n5l s PRO 224 CO 0.49 -2.47 1.29 -0.11 -0.33 0.00 0.00 177.00 175.87 3n5l n LEU 225 N -4.09 2.96 -4.40 -5.54 7.94 -1.26 -4.56 117.00 108.05 3n5l n LEU 225 Ca 0.09 1.17 -0.33 0.00 -1.11 0.00 0.00 56.01 55.84 3n5l n LEU 225 Cb 0.53 -1.41 -0.14 0.00 0.53 0.00 0.00 43.42 42.93 3n5l n LEU 225 CO 0.52 -0.68 -0.47 -0.63 -1.11 0.00 0.00 177.39 175.02 3n5l s ILE 226 N -0.60 2.91 0.89 1.96 1.01 0.23 -4.97 121.20 122.63 3n5l s ILE 226 Ca 0.62 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3n5l s ILE 226 Cb -0.64 -2.16 0.12 0.00 0.01 0.00 0.00 42.46 39.79 3n5l s ILE 226 CO 0.56 0.56 1.10 -2.16 0.00 0.00 0.00 174.94 175.00 3n5l s PRO 227 N -0.19 1.31 0.63 2.79 0.04 -1.26 -1.02 135.00 137.30 3n5l s PRO 227 Ca -0.00 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 3n5l s PRO 227 Cb -0.13 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3n5l s PRO 227 CO 0.03 -2.27 1.23 0.20 0.04 0.00 0.00 177.00 176.22 3n5l s GLY 228 N -3.19 2.68 0.31 0.56 0.00 -1.26 -4.67 107.32 101.75 3n5l s GLY 228 Ca 0.64 1.02 -0.30 0.00 0.00 0.00 0.00 44.72 46.09 3n5l s GLY 228 CO 0.58 1.43 1.54 0.99 0.00 0.00 0.00 173.10 177.63 3n5l s ASP 229 N -1.65 6.42 0.51 1.64 1.01 -1.26 -4.71 116.67 118.62 3n5l s ASP 229 Ca 0.78 2.92 -0.06 0.00 0.71 0.00 0.00 52.55 56.90 3n5l s ASP 229 Cb -0.32 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 40.94 3n5l s ASP 229 CO 0.37 -0.86 0.82 -2.16 0.21 0.00 0.00 175.17 173.55 3n5l s PRO 230 N -0.86 3.49 -0.14 8.23 0.04 -1.24 -1.03 135.00 143.48 3n5l s PRO 230 Ca 0.60 0.24 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 3n5l s PRO 230 Cb -0.46 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3n5l s PRO 230 CO 0.51 -0.29 0.09 -0.51 0.04 0.00 0.00 177.00 176.83 3n5l s LEU 231 N -4.81 4.04 -0.04 -3.56 2.01 -0.21 -2.95 118.68 113.16 3n5l s LEU 231 Ca 0.49 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.91 3n5l s LEU 231 Cb -0.10 -1.99 0.00 0.00 0.01 0.00 0.00 46.19 44.10 3n5l s LEU 231 CO 0.46 0.30 -0.12 -0.69 1.01 0.00 0.00 176.35 177.31 3n5l s VAL 232 N -0.36 1.04 0.22 -1.59 1.01 -0.61 -2.07 120.40 118.04 3n5l s VAL 232 Ca 0.10 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3n5l s VAL 232 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3n5l s VAL 232 CO 0.02 0.32 0.01 -1.66 0.00 0.00 0.00 175.10 173.78 3n5l s TRP 233 N 0.24 2.79 0.20 5.22 -2.14 -0.47 -0.44 118.94 124.34 3n5l s TRP 233 Ca -0.05 -0.18 -0.30 0.00 2.66 0.00 0.00 56.10 58.23 3n5l s TRP 233 Cb -0.11 -1.30 -0.09 0.00 -3.10 0.00 0.00 33.47 28.88 3n5l s TRP 233 CO 0.01 0.56 1.28 -0.98 -2.66 0.00 0.00 176.95 175.16 3n5l s ARG 234 N -3.29 4.41 0.09 3.25 1.70 -0.51 -0.80 118.95 123.81 3n5l s ARG 234 Ca 0.29 2.02 0.19 0.00 -0.47 0.00 0.00 55.73 57.76 3n5l s ARG 234 Cb -0.08 -3.20 0.80 0.00 -0.57 0.00 0.00 34.95 31.90 3n5l s ARG 234 CO 0.19 -0.21 1.60 0.27 -1.08 0.00 0.00 175.30 176.08 3n5l n ASN 235 N 2.47 0.26 -1.12 -2.89 0.23 0.31 -2.02 115.26 112.51 3n5l n ASN 235 Ca 0.05 0.56 0.07 0.00 -0.53 0.00 0.00 54.58 54.73 3n5l n ASN 235 Cb 0.43 -0.62 0.25 0.00 -2.08 0.00 0.00 39.78 37.76 3n5l n ASN 235 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3n5l n ASN 236 N -1.78 3.25 -4.70 0.53 6.94 -1.26 -4.94 115.26 113.30 3n5l n ASN 236 Ca 0.03 -2.19 -0.35 0.00 -0.02 0.00 0.00 54.58 52.05 3n5l n ASN 236 Cb 0.22 -0.43 0.11 0.00 -2.36 0.00 0.00 39.78 37.31 3n5l n ASN 236 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3n5l n LEU 237 N 0.85 4.96 -4.76 -4.53 4.77 -0.85 -4.98 117.00 112.46 3n5l n LEU 237 Ca 0.18 0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 56.49 3n5l n LEU 237 Cb 0.58 -1.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.20 3n5l n LEU 237 CO 0.15 -1.46 0.77 -0.94 -1.33 0.00 0.00 177.39 174.58 3n5l s SER 238 N -1.86 4.96 0.25 -1.43 1.04 -1.26 -4.83 113.70 110.56 3n5l s SER 238 Ca 0.77 2.15 -0.03 0.00 0.48 0.00 0.00 55.95 59.31 3n5l s SER 238 Cb -0.32 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 63.70 3n5l s SER 238 CO 0.47 -1.74 1.74 0.44 0.98 0.00 0.00 173.24 175.14 3n5l h ASP 239 N 0.18 0.35 -0.34 7.02 3.32 -1.98 -0.80 116.42 124.18 3n5l h ASP 239 Ca -0.48 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3n5l h ASP 239 Cb 1.27 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 3n5l h ASP 239 CO 0.53 0.14 0.20 -0.08 -1.72 0.00 0.00 179.24 178.31 3n5l h GLU 240 N 0.49 0.46 -0.08 3.56 4.81 -1.99 0.25 114.58 122.08 3n5l h GLU 240 Ca 0.42 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.62 3n5l h GLU 240 Cb 0.62 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3n5l h GLU 240 CO -0.39 0.35 0.03 1.96 -0.73 0.00 0.00 179.01 180.23 3n5l h GLN 241 N 0.43 0.07 -0.56 1.92 4.20 -1.76 -1.01 115.11 118.40 3n5l h GLN 241 Ca 0.12 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3n5l h GLN 241 Cb 0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3n5l h GLN 241 CO -0.02 0.05 0.32 0.87 -0.67 0.00 0.00 178.83 179.38 3n5l h LYS 242 N 0.08 0.61 -0.49 1.46 1.57 -0.80 0.18 116.57 119.17 3n5l h LYS 242 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3n5l h LYS 242 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3n5l h LYS 242 CO -0.03 0.41 0.04 -0.91 -0.57 0.00 0.00 179.45 178.39 3n5l h ASN 243 N 0.63 0.82 -0.16 0.86 2.35 -0.83 -0.23 115.58 119.02 3n5l h ASN 243 Ca 0.23 -0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 3n5l h ASN 243 Cb 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3n5l h ASN 243 CO -0.12 0.90 -0.31 0.11 -1.65 0.00 0.00 177.43 176.36 3n5l h LYS 244 N 0.71 0.66 -0.41 0.81 1.57 -0.82 -1.58 116.57 117.51 3n5l h LYS 244 Ca 0.14 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3n5l h LYS 244 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3n5l h LYS 244 CO 0.02 0.89 0.03 -0.07 -0.57 0.00 0.00 179.45 179.74 3n5l h LEU 245 N 0.56 0.69 -0.42 2.94 3.38 -0.43 -0.48 115.31 121.55 3n5l h LEU 245 Ca 0.06 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3n5l h LEU 245 Cb 0.81 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3n5l h LEU 245 CO 0.07 0.81 0.25 0.03 0.09 0.00 0.00 178.44 179.68 3n5l h ARG 246 N 0.54 0.49 -0.45 1.13 3.08 -0.91 -1.18 114.38 117.09 3n5l h ARG 246 Ca 0.12 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3n5l h ARG 246 Cb 0.44 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3n5l h ARG 246 CO 0.02 0.33 0.27 -0.44 -1.07 0.00 0.00 179.97 179.08 3n5l h ASP 247 N 0.51 0.45 0.56 7.04 3.32 -1.08 -1.66 116.42 125.57 3n5l h ASP 247 Ca 0.17 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3n5l h ASP 247 Cb 0.00 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.46 3n5l h ASP 247 CO -0.07 0.33 -0.27 0.15 -1.72 0.00 0.00 179.24 177.65 3n5l h PHE 248 N 0.56 -0.70 -0.51 4.55 3.57 -0.61 -1.63 116.94 122.17 3n5l h PHE 248 Ca 0.18 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3n5l h PHE 248 Cb -0.01 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3n5l h PHE 248 CO -0.06 -0.41 0.22 0.74 -2.23 0.00 0.00 178.31 176.57 3n5l h PHE 249 N -0.80 0.75 0.00 0.41 0.04 -1.18 -0.16 116.94 116.00 3n5l h PHE 249 Ca -0.08 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 3n5l h PHE 249 Cb 0.60 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3n5l h PHE 249 CO -0.03 0.61 -0.21 0.74 -0.60 0.00 0.00 178.31 178.82 3n5l h PHE 250 N 0.68 0.00 -0.01 -0.55 0.04 -1.32 -3.12 116.94 112.66 3n5l h PHE 250 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3n5l h PHE 250 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3n5l h PHE 250 CO -0.00 0.21 -0.64 1.63 -0.60 0.00 0.00 178.31 178.91 3n5l n LYS 251 N -3.24 0.46 -2.25 1.51 5.02 -0.62 -4.96 118.16 114.09 3n5l n LYS 251 Ca 0.02 -0.35 -0.39 0.00 -2.02 0.00 0.00 58.31 55.56 3n5l n LYS 251 Cb 0.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3n5l n LYS 251 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3n5l s TYR 252 N -2.78 3.13 0.00 2.13 5.04 -0.10 -4.12 117.35 120.66 3n5l s TYR 252 Ca 0.14 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3n5l s TYR 252 Cb 0.17 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 39.00 3n5l s TYR 252 CO 0.70 -1.41 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 3n5l n GLY 253 N 0.79 1.45 0.17 8.97 0.00 -1.26 -4.75 105.19 110.56 3n5l n GLY 253 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3n5l n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n5l h ALA 254 N 0.00 0.79 -4.60 4.61 0.00 -1.92 -3.42 119.26 114.72 3n5l h ALA 254 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.34 3n5l h ALA 254 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 3n5l h ALA 254 CO 0.00 0.20 -0.40 0.27 0.00 0.00 0.00 179.25 179.32 3n5l n ASN 255 N -3.02 -0.53 -0.25 0.00 0.23 -1.26 -5.05 115.26 105.39 3n5l n ASN 255 Ca 0.02 -2.86 -0.08 0.00 -0.53 0.00 0.00 54.58 51.13 3n5l n ASN 255 Cb 0.60 1.40 0.04 0.00 -2.08 0.00 0.00 39.78 39.74 3n5l n ASN 255 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3n5l h ALA 256 N 1.89 0.92 -0.30 -2.53 0.00 -1.99 -1.51 119.26 115.74 3n5l h ALA 256 Ca -0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3n5l h ALA 256 Cb 1.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3n5l h ALA 256 CO 0.29 0.66 0.17 1.49 0.00 0.00 0.00 179.25 181.86 3n5l h GLU 257 N 1.06 0.33 -0.41 0.00 4.22 -1.99 -0.67 114.58 117.12 3n5l h GLU 257 Ca 0.21 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.49 3n5l h GLU 257 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3n5l h GLU 257 CO 0.01 0.22 -0.33 1.96 -2.18 0.00 0.00 179.01 178.69 3n5l h GLN 258 N 0.34 0.92 -0.50 1.92 4.20 -1.87 -2.53 115.11 117.59 3n5l h GLN 258 Ca 0.12 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 3n5l h GLN 258 Cb 0.01 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3n5l h GLN 258 CO -0.07 1.10 0.13 0.87 -0.67 0.00 0.00 178.83 180.20 3n5l h LYS 259 N 0.77 0.75 -0.35 1.46 1.57 -1.12 -1.39 116.57 118.26 3n5l h LYS 259 Ca 0.08 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3n5l h LYS 259 Cb 0.91 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3n5l h LYS 259 CO 0.08 0.67 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.32 3n5l h LYS 260 N 0.73 0.68 -0.43 3.15 3.11 -0.95 -0.18 116.57 122.68 3n5l h LYS 260 Ca 0.17 -0.27 0.03 0.00 -2.81 0.00 0.00 60.65 57.77 3n5l h LYS 260 Cb 0.25 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 3n5l h LYS 260 CO -0.00 0.85 0.23 0.28 -2.81 0.00 0.00 179.45 178.00 3n5l h VAL 261 N 0.47 1.00 -0.30 2.00 2.07 -1.20 -0.63 116.25 119.67 3n5l h VAL 261 Ca 0.09 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3n5l h VAL 261 Cb 0.61 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3n5l h VAL 261 CO 0.04 0.09 0.11 -0.07 0.02 0.00 0.00 177.57 177.75 3n5l h LEU 262 N 0.47 0.14 -0.72 2.57 3.38 -1.17 -2.45 115.31 117.52 3n5l h LEU 262 Ca 0.18 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3n5l h LEU 262 Cb 0.06 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3n5l h LEU 262 CO -0.11 0.11 0.42 0.00 0.09 0.00 0.00 178.44 178.96 3n5l h ALA 263 N 1.18 0.97 0.00 1.53 0.00 -0.47 -1.19 119.26 121.29 3n5l h ALA 263 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3n5l h ALA 263 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3n5l h ALA 263 CO -0.12 0.13 -0.23 -0.44 0.00 0.00 0.00 179.25 178.59 3n5l h ASP 264 N 0.79 0.00 -0.10 0.00 3.32 -0.98 -1.42 116.42 118.03 3n5l h ASP 264 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3n5l h ASP 264 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3n5l h ASP 264 CO -0.17 0.23 0.00 0.18 -1.72 0.00 0.00 179.24 177.77 3n5l n LEU 265 N -3.58 1.17 -1.21 1.55 4.77 -0.58 -4.93 117.00 114.19 3n5l n LEU 265 Ca -0.01 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.39 3n5l n LEU 265 Cb 0.37 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3n5l n LEU 265 CO 0.33 0.24 -0.14 0.00 -1.33 0.00 0.00 177.39 176.49 3n5l n GLN 266 N -0.02 -0.88 -4.33 3.23 6.02 -0.53 -5.01 117.38 115.85 3n5l n GLN 266 Ca 0.16 0.62 -0.26 0.00 -0.01 0.00 0.00 57.00 57.52 3n5l n GLN 266 Cb 0.26 -4.72 -0.12 0.00 1.02 0.00 0.00 30.24 26.67 3n5l n GLN 266 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3n5l s TRP 267 N -2.54 2.00 -0.11 1.08 0.51 -0.56 -0.99 118.94 118.34 3n5l s TRP 267 Ca 0.00 -0.41 0.06 0.00 -2.12 0.00 0.00 56.10 53.63 3n5l s TRP 267 Cb 0.00 -1.07 -0.24 0.00 -0.81 0.00 0.00 33.47 31.35 3n5l s TRP 267 CO 0.00 0.28 0.40 -1.13 -0.51 0.00 0.00 176.95 175.99 3n5l n SER 268 N 0.90 1.29 -3.62 2.95 3.41 0.17 -3.49 113.62 115.22 3n5l n SER 268 Ca -0.18 0.24 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 3n5l n SER 268 Cb 0.54 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3n5l n SER 268 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3n5l s LYS 269 N -2.56 0.81 -0.00 4.33 -2.85 -1.25 -4.98 119.74 113.23 3n5l s LYS 269 Ca -0.14 -0.49 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 3n5l s LYS 269 Cb 0.07 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 3n5l s LYS 269 CO 0.79 -0.38 -0.04 -0.06 0.10 0.00 0.00 175.35 175.76 3n5l s PHE 270 N -2.47 2.97 0.12 1.78 0.08 -1.26 -2.16 117.98 117.04 3n5l s PHE 270 Ca 0.19 0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.31 3n5l s PHE 270 Cb 0.00 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3n5l s PHE 270 CO 0.01 0.41 -0.13 1.14 -0.10 0.00 0.00 175.22 176.55 3n5l s GLN 271 N -1.43 1.01 0.50 0.44 -2.07 -0.40 -4.76 119.66 112.95 3n5l s GLN 271 Ca 0.18 -1.27 -0.23 0.00 -1.82 0.00 0.00 55.36 52.22 3n5l s GLN 271 Cb -0.11 -0.81 -0.06 0.00 -1.09 0.00 0.00 33.01 30.94 3n5l s GLN 271 CO 0.08 0.14 1.33 0.00 -1.32 0.00 0.00 175.29 175.53 3n5l s ALA 272 N -2.38 2.97 0.36 2.60 0.00 -1.26 -0.01 121.76 124.04 3n5l s ALA 272 Ca 0.10 1.28 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 3n5l s ALA 272 Cb -0.03 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3n5l s ALA 272 CO 0.02 -1.16 0.62 0.45 0.00 0.00 0.00 175.76 175.69 3n5l s SER 273 N -0.92 0.49 0.35 0.00 0.15 -1.07 -4.59 113.70 108.11 3n5l s SER 273 Ca 0.67 -1.31 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 3n5l s SER 273 Cb -0.39 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3n5l s SER 273 CO 0.47 -1.47 0.54 -0.90 1.20 0.00 0.00 173.24 173.08 3n5l n ASP 274 N -1.38 -1.53 0.28 5.45 5.68 -1.26 -3.99 116.55 119.80 3n5l n ASP 274 Ca -0.03 -2.78 0.12 0.00 -0.50 0.00 0.00 54.79 51.60 3n5l n ASP 274 Cb 0.61 2.75 0.81 0.00 -1.14 0.00 0.00 41.12 44.14 3n5l n ASP 274 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3n5l h ASP 275 N 1.92 0.00 0.41 -1.12 3.32 -1.96 -1.98 116.42 117.00 3n5l h ASP 275 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3n5l h ASP 275 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3n5l h ASP 275 CO 0.37 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.33 3n5l h ASP 276 N 0.00 0.00 -0.94 6.45 3.32 -1.96 -1.01 116.42 122.28 3n5l h ASP 276 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.29 3n5l h ASP 276 Cb 0.01 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3n5l h ASP 276 CO -0.00 0.00 0.63 -0.61 -1.72 0.00 0.00 179.24 177.54 3n5l h GLN 277 N 0.00 0.29 0.00 3.56 4.15 -1.78 -1.58 115.11 119.76 3n5l h GLN 277 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3n5l h GLN 277 Cb 0.20 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3n5l h GLN 277 CO 0.00 0.19 0.00 1.28 -1.93 0.00 0.00 178.83 178.37 3n5l n LEU 278 N -4.46 0.04 -0.17 -2.39 4.77 -0.38 -4.32 117.00 110.08 3n5l n LEU 278 Ca 0.20 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.67 3n5l n LEU 278 Cb 0.81 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3n5l n LEU 278 CO 0.32 -0.04 0.92 -0.07 -1.33 0.00 0.00 177.39 177.19 3n5l h LEU 279 N 0.00 0.04 -1.44 2.23 3.38 -1.45 0.17 115.31 118.24 3n5l h LEU 279 Ca 0.00 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3n5l h LEU 279 Cb 0.48 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3n5l h LEU 279 CO 0.00 0.05 -0.26 -0.65 0.09 0.00 0.00 178.44 177.66 3n5l h PRO 280 N 0.26 0.00 -0.15 1.13 0.11 -1.82 -0.96 132.00 130.57 3n5l h PRO 280 Ca 0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 3n5l h PRO 280 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3n5l h PRO 280 CO -0.32 0.26 -0.39 0.82 -0.21 0.00 0.00 178.00 178.16 3n5l h ILE 281 N 0.00 1.35 -0.79 4.15 1.08 -1.40 -1.63 117.51 120.27 3n5l h ILE 281 Ca -0.00 -1.66 0.02 0.00 -0.39 0.00 0.00 64.86 62.83 3n5l h ILE 281 Cb 0.57 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 3n5l h ILE 281 CO 0.03 0.50 0.53 0.03 -0.69 0.00 0.00 178.15 178.55 3n5l h ARG 282 N 0.17 1.01 -0.32 2.37 3.08 -0.47 -0.08 114.38 120.13 3n5l h ARG 282 Ca -0.01 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3n5l h ARG 282 Cb 1.00 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3n5l h ARG 282 CO 0.08 0.67 -0.03 0.37 -1.07 0.00 0.00 179.97 179.99 3n5l h GLN 283 N 1.04 0.59 -0.77 0.04 4.15 -1.03 -1.12 115.11 118.00 3n5l h GLN 283 Ca 0.30 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 3n5l h GLN 283 Cb -0.06 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3n5l h GLN 283 CO -0.08 0.74 0.34 1.25 -1.93 0.00 0.00 178.83 179.15 3n5l h LEU 284 N 0.38 1.04 -0.49 -2.39 5.85 -1.02 0.12 115.31 118.81 3n5l h LEU 284 Ca 0.09 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3n5l h LEU 284 Cb 0.50 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3n5l h LEU 284 CO 0.02 0.91 0.25 -0.08 -0.34 0.00 0.00 178.44 179.20 3n5l h GLU 285 N 1.11 0.47 -0.29 1.25 4.57 -0.79 -0.58 114.58 120.32 3n5l h GLU 285 Ca 0.26 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.28 3n5l h GLU 285 Cb 0.17 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3n5l h GLU 285 CO -0.03 0.31 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.66 3n5l h LEU 286 N 0.48 0.70 -0.75 1.64 3.38 -0.71 -0.20 115.31 119.85 3n5l h LEU 286 Ca 0.21 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3n5l h LEU 286 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3n5l h LEU 286 CO -0.15 1.01 0.48 -0.26 0.09 0.00 0.00 178.44 179.61 3n5l h PHE 287 N 0.55 0.90 0.03 1.13 0.04 -0.47 0.41 116.94 119.52 3n5l h PHE 287 Ca 0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3n5l h PHE 287 Cb 0.90 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3n5l h PHE 287 CO 0.04 0.52 -0.01 -0.22 -0.60 0.00 0.00 178.31 178.04 3n5l h LYS 288 N 0.94 -0.03 -0.98 1.51 3.64 -0.76 -0.61 116.57 120.28 3n5l h LYS 288 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3n5l h LYS 288 Cb -0.00 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3n5l h LYS 288 CO -0.10 0.18 0.62 1.96 -2.27 0.00 0.00 179.45 179.83 3n5l h GLN 289 N -0.24 1.31 -0.18 1.90 4.20 -0.86 -0.49 115.11 120.75 3n5l h GLN 289 Ca -0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3n5l h GLN 289 Cb 0.23 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3n5l h GLN 289 CO 0.01 0.89 0.03 -0.09 -0.67 0.00 0.00 178.83 179.00 3n5l h ARG 290 N 1.34 0.29 -0.72 1.46 2.43 -0.75 -1.29 114.38 117.14 3n5l h ARG 290 Ca 0.36 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3n5l h ARG 290 Cb -0.11 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3n5l h ARG 290 CO -0.07 0.46 0.21 1.15 -1.51 0.00 0.00 179.97 180.21 3n5l h THR 291 N 0.08 1.26 -0.69 0.20 2.02 -1.00 -0.29 112.91 114.49 3n5l h THR 291 Ca 0.05 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.35 3n5l h THR 291 Cb 0.31 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3n5l h THR 291 CO 0.00 0.36 0.42 0.44 0.37 0.00 0.00 175.52 177.11 3n5l h ASP 292 N 1.08 0.68 -0.27 4.18 3.32 -0.97 0.10 116.42 124.53 3n5l h ASP 292 Ca 0.23 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3n5l h ASP 292 Cb 0.32 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3n5l h ASP 292 CO -0.00 0.46 0.07 0.58 -1.72 0.00 0.00 179.24 178.62 3n5l h VAL 293 N 0.81 1.21 -0.90 -1.35 2.07 -0.87 -2.29 116.25 114.93 3n5l h VAL 293 Ca 0.29 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3n5l h VAL 293 Cb 0.07 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3n5l h VAL 293 CO -0.13 0.22 0.59 0.00 0.02 0.00 0.00 177.57 178.28 3n5l h ALA 294 N 0.89 1.16 0.00 1.67 0.00 -0.79 -1.90 119.26 120.29 3n5l h ALA 294 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3n5l h ALA 294 Cb 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3n5l h ALA 294 CO 0.00 0.50 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 3n5l h ASN 295 N 1.19 0.00 -3.02 0.00 2.35 -0.83 -3.43 115.58 111.83 3n5l h ASN 295 Ca 0.34 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.54 3n5l h ASN 295 Cb -0.08 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 3n5l h ASN 295 CO -0.09 0.00 1.04 0.21 -1.65 0.00 0.00 177.43 176.94 3n5l s ASN 296 N -4.74 6.30 0.00 5.81 3.84 -0.72 -4.86 114.94 120.57 3n5l s ASN 296 Ca 0.04 0.21 0.25 0.00 0.21 0.00 0.00 52.86 53.57 3n5l s ASN 296 Cb 0.09 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.47 3n5l s ASN 296 CO 0.47 -1.58 1.84 0.00 -2.79 0.00 0.00 177.10 175.03 3n5l n ALA 297 N 8.96 2.24 1.05 1.71 0.00 -1.26 -3.31 120.51 129.90 3n5l n ALA 297 Ca 0.10 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3n5l n ALA 297 Cb 0.49 -1.41 0.34 0.00 0.00 0.00 0.00 19.45 18.87 3n5l n ALA 297 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3n5l n ASN 298 N -1.34 0.49 -4.84 0.00 3.02 -1.26 -4.90 115.26 106.43 3n5l n ASN 298 Ca 0.10 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.09 3n5l n ASN 298 Cb 0.22 0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3n5l n ASN 298 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n5l s LEU 299 N -2.91 3.95 0.72 3.41 1.43 -1.21 -5.06 118.68 119.01 3n5l s LEU 299 Ca 0.14 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 3n5l s LEU 299 Cb 0.18 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 42.09 3n5l s LEU 299 CO 0.64 -0.32 1.07 -0.83 0.23 0.00 0.00 176.35 177.14 3n5l s GLY 300 N -2.36 1.71 0.12 -3.19 0.00 -1.26 -4.82 107.32 97.52 3n5l s GLY 300 Ca 0.58 0.19 -0.23 0.00 0.00 0.00 0.00 44.72 45.26 3n5l s GLY 300 CO 0.17 0.51 1.69 0.00 0.00 0.00 0.00 173.10 175.47 3n5l h ALA 301 N -0.78 -0.11 -0.48 3.20 0.00 -1.99 0.25 119.26 119.36 3n5l h ALA 301 Ca -0.44 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 3n5l h ALA 301 Cb 1.22 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3n5l h ALA 301 CO 0.55 -0.60 -0.14 1.49 0.00 0.00 0.00 179.25 180.55 3n5l h GLU 302 N -0.19 0.94 -0.08 0.00 4.81 -1.98 -0.02 114.58 118.06 3n5l h GLU 302 Ca 0.05 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3n5l h GLU 302 Cb 0.26 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3n5l h GLU 302 CO -0.14 1.03 0.05 1.49 -0.73 0.00 0.00 179.01 180.71 3n5l h GLU 303 N 0.79 0.11 -0.34 1.92 4.81 -1.88 -0.61 114.58 119.37 3n5l h GLU 303 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3n5l h GLU 303 Cb 0.70 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3n5l h GLU 303 CO 0.05 0.10 0.11 -0.22 -0.73 0.00 0.00 179.01 178.32 3n5l h LYS 304 N 0.08 0.53 -0.88 1.92 3.64 -0.41 -2.13 116.57 119.32 3n5l h LYS 304 Ca 0.03 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3n5l h LYS 304 Cb 0.02 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3n5l h LYS 304 CO -0.01 0.56 0.57 0.00 -2.27 0.00 0.00 179.45 178.30 3n5l h ALA 305 N 0.95 1.15 -0.43 5.00 0.00 -0.78 -0.62 119.26 124.53 3n5l h ALA 305 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3n5l h ALA 305 Cb 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3n5l h ALA 305 CO -0.00 0.43 -0.00 0.00 0.00 0.00 0.00 179.25 179.67 3n5l h ALA 306 N 1.36 0.58 -0.51 0.00 0.00 -1.04 -2.24 119.26 117.40 3n5l h ALA 306 Ca 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3n5l h ALA 306 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3n5l h ALA 306 CO -0.11 0.37 0.29 0.87 0.00 0.00 0.00 179.25 180.68 3n5l h LYS 307 N 0.60 0.70 -0.43 0.00 1.57 -0.90 -1.54 116.57 116.57 3n5l h LYS 307 Ca 0.12 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3n5l h LYS 307 Cb 0.49 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3n5l h LYS 307 CO 0.02 0.53 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.12 3n5l h LEU 308 N 0.68 0.96 -0.33 2.94 3.38 -1.12 -1.29 115.31 120.54 3n5l h LEU 308 Ca 0.18 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3n5l h LEU 308 Cb 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3n5l h LEU 308 CO -0.03 1.17 0.11 0.50 0.09 0.00 0.00 178.44 180.28 3n5l h LYS 309 N 0.76 0.25 -0.32 1.13 1.63 -1.28 0.41 116.57 119.14 3n5l h LYS 309 Ca 0.09 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3n5l h LYS 309 Cb 0.83 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3n5l h LYS 309 CO 0.07 0.16 0.21 0.00 -3.45 0.00 0.00 179.45 176.45 3n5l h ALA 310 N 1.21 0.41 -0.82 5.00 0.00 -1.00 -0.92 119.26 123.13 3n5l h ALA 310 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3n5l h ALA 310 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3n5l h ALA 310 CO -0.15 -0.12 0.40 -0.07 0.00 0.00 0.00 179.25 179.32 3n5l h LEU 311 N 0.43 1.07 -1.21 0.00 3.38 -1.08 -1.78 115.31 116.13 3n5l h LEU 311 Ca 0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3n5l h LEU 311 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3n5l h LEU 311 CO -0.02 0.90 -0.01 0.44 0.09 0.00 0.00 178.44 179.84 3n5l h ASP 312 N 1.16 0.50 -0.36 -0.43 3.32 -0.44 -0.21 116.42 119.96 3n5l h ASP 312 Ca 0.28 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 3n5l h ASP 312 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3n5l h ASP 312 CO -0.04 0.58 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.45 3n5l h GLU 313 N 0.51 0.88 -0.58 3.56 5.08 -0.74 -0.32 114.58 122.97 3n5l h GLU 313 Ca 0.11 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3n5l h GLU 313 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3n5l h GLU 313 CO 0.01 1.04 0.37 0.93 -1.00 0.00 0.00 179.01 180.36 3n5l h GLU 314 N 0.74 0.76 -0.59 2.33 5.08 -0.81 -1.31 114.58 120.79 3n5l h GLU 314 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3n5l h GLU 314 Cb 0.83 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3n5l h GLU 314 CO 0.07 0.52 0.26 -0.07 -1.00 0.00 0.00 179.01 178.80 3n5l h LEU 315 N 0.78 0.79 -0.46 1.33 3.38 -0.90 -0.75 115.31 119.48 3n5l h LEU 315 Ca 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3n5l h LEU 315 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3n5l h LEU 315 CO -0.04 0.71 0.28 0.00 0.09 0.00 0.00 178.44 179.48 3n5l h ALA 316 N 1.10 0.58 -0.29 1.53 0.00 -0.79 0.23 119.26 121.62 3n5l h ALA 316 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3n5l h ALA 316 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3n5l h ALA 316 CO -0.02 0.06 0.16 -0.22 0.00 0.00 0.00 179.25 179.23 3n5l h LYS 317 N 0.61 0.41 -0.30 0.00 3.64 -1.12 -1.32 116.57 118.48 3n5l h LYS 317 Ca 0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3n5l h LYS 317 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3n5l h LYS 317 CO -0.03 0.35 0.17 1.25 -2.27 0.00 0.00 179.45 178.92 3n5l h LEU 318 N 0.35 0.37 -1.24 5.20 5.85 -0.74 -2.62 115.31 122.50 3n5l h LEU 318 Ca 0.10 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3n5l h LEU 318 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3n5l h LEU 318 CO -0.02 0.35 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.86 3n5l h GLU 319 N 0.37 0.00 -0.29 1.25 5.08 -0.35 -2.13 114.58 118.50 3n5l h GLU 319 Ca 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3n5l h GLU 319 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3n5l h GLU 319 CO -0.02 0.24 -0.06 -0.22 -1.00 0.00 0.00 179.01 177.96 3n5l h LYS 320 N 0.00 0.56 -1.52 2.33 3.64 -1.11 -1.67 116.57 118.79 3n5l h LYS 320 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3n5l h LYS 320 Cb 0.70 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3n5l h LYS 320 CO 0.03 0.75 0.00 -2.13 -2.27 0.00 0.00 179.45 175.83 3n5l n ARG 321 N -4.50 0.09 0.00 1.90 0.63 -0.80 -1.47 116.66 112.50 3n5l n ARG 321 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3n5l n ARG 321 Cb 0.31 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3n5l n ARG 321 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3n5l n ALA 323 N 0.85 0.00 0.22 5.13 0.00 -0.63 0.33 120.51 126.41 3n5l n ALA 323 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3n5l n ALA 323 Cb 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 3n5l n ALA 323 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3n5l h GLU 324 N 0.00 -0.49 -0.18 0.00 5.08 -1.53 -3.26 114.58 114.20 3n5l h GLU 324 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3n5l h GLU 324 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3n5l h GLU 324 CO 0.00 -0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.22 3n5l n ARG 325 N -5.31 1.32 -3.26 2.33 5.12 0.15 -3.53 116.66 113.48 3n5l n ARG 325 Ca -0.11 -0.47 -0.25 0.00 -1.93 0.00 0.00 57.85 55.10 3n5l n ARG 325 Cb 0.22 -1.13 -0.08 0.00 -1.16 0.00 0.00 32.46 30.31 3n5l n ARG 325 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3n5l n GLU 326 N -0.11 0.97 0.00 5.56 1.02 -1.23 -5.12 120.64 121.73 3n5l n GLU 326 Ca 0.04 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.71 3n5l n GLU 326 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3n5l n GLU 326 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35