#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5a s ASP 2 N 0.00 6.98 0.13 6.12 1.01 -1.26 -4.35 116.67 125.30 3h5a s ASP 2 Ca 0.00 1.20 0.08 0.00 0.71 0.00 0.00 52.55 54.54 3h5a s ASP 2 Cb 0.00 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 3h5a s ASP 2 CO 0.00 0.21 -0.10 -0.31 0.21 0.00 0.00 175.17 175.18 3h5a s TYR 3 N -1.24 2.70 0.02 4.23 1.51 0.07 0.07 117.35 124.70 3h5a s TYR 3 Ca 0.32 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 3h5a s TYR 3 Cb -0.18 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3h5a s TYR 3 CO 0.19 0.45 -0.05 -1.50 -1.11 0.00 0.00 175.55 173.53 3h5a s ILE 4 N -1.37 0.33 0.15 2.71 2.07 0.30 -1.08 121.20 124.32 3h5a s ILE 4 Ca 0.22 -0.67 -0.30 0.00 -1.41 0.00 0.00 60.65 58.49 3h5a s ILE 4 Cb -0.10 -0.38 -0.08 0.00 0.13 0.00 0.00 42.46 42.03 3h5a s ILE 4 CO 0.14 -0.22 1.28 -0.22 -1.91 0.00 0.00 174.94 174.00 3h5a s LEU 5 N -0.95 4.41 0.37 8.50 2.96 -0.07 -1.06 118.68 132.84 3h5a s LEU 5 Ca -0.07 2.27 -0.28 0.00 -0.22 0.00 0.00 54.13 55.84 3h5a s LEU 5 Cb -0.06 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3h5a s LEU 5 CO -0.00 -0.50 1.40 -0.83 -1.32 0.00 0.00 176.35 175.10 3h5a s GLY 6 N 0.58 2.96 0.00 7.98 0.00 0.69 -4.87 107.32 114.66 3h5a s GLY 6 Ca 0.58 1.42 0.25 0.00 0.00 0.00 0.00 44.72 46.97 3h5a s GLY 6 CO 0.34 2.08 1.86 -2.13 0.00 0.00 0.00 173.10 175.25 3h5a n ARG 7 N 0.46 0.57 -0.20 2.90 3.00 -1.26 -2.87 116.66 119.26 3h5a n ARG 7 Ca 0.01 0.03 0.11 0.00 -0.00 0.00 0.00 57.85 58.00 3h5a n ARG 7 Cb 0.41 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 31.58 3h5a n ARG 7 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 3h5a n TYR 8 N -1.15 0.52 -3.16 -0.14 4.11 -1.26 -4.96 117.16 111.11 3h5a n TYR 8 Ca 0.15 -0.28 -0.39 0.00 -0.00 0.00 0.00 57.90 57.38 3h5a n TYR 8 Cb 0.15 -0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.43 3h5a n TYR 8 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3h5a s VAL 9 N -1.37 5.03 0.12 -3.48 0.11 -1.14 -4.79 120.40 114.88 3h5a s VAL 9 Ca 0.37 1.26 0.09 0.00 -2.93 0.00 0.00 61.98 60.77 3h5a s VAL 9 Cb 0.22 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 3h5a s VAL 9 CO 0.30 0.33 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.64 3h5a s LYS 10 N 0.42 1.19 0.03 1.54 1.02 -1.25 -4.94 119.74 117.75 3h5a s LYS 10 Ca 0.33 -1.23 0.06 0.00 0.02 0.00 0.00 55.97 55.14 3h5a s LYS 10 Cb -0.17 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.65 3h5a s LYS 10 CO 0.16 0.34 -0.16 0.42 -0.92 0.00 0.00 175.35 175.18 3h5a s ILE 11 N -1.29 1.30 -0.09 2.17 1.01 -1.26 -1.21 121.20 121.84 3h5a s ILE 11 Ca 0.09 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 3h5a s ILE 11 Cb -0.09 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.28 3h5a s ILE 11 CO 0.05 0.14 0.49 0.00 0.00 0.00 0.00 174.94 175.62 3h5a s ALA 12 N -0.73 -1.23 0.00 9.38 0.00 -0.77 -5.01 121.76 123.41 3h5a s ALA 12 Ca 0.04 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 3h5a s ALA 12 Cb -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 3h5a s ALA 12 CO 0.01 -0.28 1.22 0.50 0.00 0.00 0.00 175.76 177.20 3h5a s ARG 13 N -0.69 4.38 -0.29 0.00 6.06 -1.26 -0.76 118.95 126.39 3h5a s ARG 13 Ca -0.08 1.74 -0.16 0.00 -2.50 0.00 0.00 55.73 54.73 3h5a s ARG 13 Cb -0.03 -3.46 0.17 0.00 0.06 0.00 0.00 34.95 31.69 3h5a s ARG 13 CO 0.04 -0.37 1.09 -0.47 -2.50 0.00 0.00 175.30 173.10 3h5a s TYR 14 N 1.69 -0.38 0.00 5.12 5.04 -1.22 -4.91 117.35 122.70 3h5a s TYR 14 Ca 0.58 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3h5a s TYR 14 Cb -0.27 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.26 3h5a s TYR 14 CO 0.26 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.69 3h5a n GLY 15 N 3.59 1.27 0.10 8.97 0.00 -1.26 -3.26 105.19 114.60 3h5a n GLY 15 Ca -0.17 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3h5a n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h5a h SER 16 N 9.28 0.20 0.00 1.61 4.64 -1.89 -3.47 113.55 123.92 3h5a h SER 16 Ca 0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3h5a h SER 16 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3h5a h SER 16 CO 0.00 1.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.84 3h5a n GLY 17 N 1.61 0.86 3.82 -0.77 0.00 0.11 -3.77 105.19 107.07 3h5a n GLY 17 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3h5a n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h5a s GLY 18 N 0.00 0.21 -0.11 -0.02 0.00 0.83 -3.43 107.32 104.79 3h5a s GLY 18 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 3h5a s GLY 18 CO 0.00 0.01 0.02 1.08 0.00 0.00 0.00 173.10 174.21 3h5a s LEU 19 N -3.06 3.66 -0.14 0.66 1.43 0.06 -1.16 118.68 120.12 3h5a s LEU 19 Ca 0.15 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3h5a s LEU 19 Cb -0.05 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.35 3h5a s LEU 19 CO 0.09 0.33 -0.05 -0.69 0.23 0.00 0.00 176.35 176.26 3h5a s VAL 20 N -0.57 1.00 0.00 -1.59 1.01 -0.94 -1.84 120.40 117.47 3h5a s VAL 20 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3h5a s VAL 20 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3h5a s VAL 20 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3h5a n GLY 21 N 4.92 3.00 1.84 4.51 0.00 -0.35 -1.07 105.19 118.04 3h5a n GLY 21 Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3h5a n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 22 N 0.00 -5.05 1.28 -0.02 0.00 -1.26 -3.91 105.19 96.23 3h5a n GLY 22 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3h5a n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 23 N 0.66 -1.77 0.30 -0.02 0.00 -1.26 -4.43 105.19 98.65 3h5a n GLY 23 Ca 0.00 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.26 3h5a n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h5a h GLY 24 N 0.00 0.00 -2.19 -0.02 0.00 -2.03 -2.10 103.07 96.72 3h5a h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h5a h GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3h5a n LYS 25 N -3.39 2.83 -2.24 4.80 4.76 -1.26 -4.95 118.16 118.71 3h5a n LYS 25 Ca -0.02 -1.81 -0.41 0.00 -2.87 0.00 0.00 58.31 53.20 3h5a n LYS 25 Cb 0.17 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 3h5a n LYS 25 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3h5a s GLU 26 N -1.79 4.42 -0.02 1.97 2.12 -0.79 -4.76 118.70 119.85 3h5a s GLU 26 Ca 0.32 2.04 0.06 0.00 0.36 0.00 0.00 54.97 57.75 3h5a s GLU 26 Cb 0.21 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 3h5a s GLU 26 CO 0.14 -0.16 -0.18 -0.65 -0.54 0.00 0.00 175.26 173.87 3h5a s GLN 27 N -0.69 2.30 -0.26 4.30 -1.52 -0.23 -4.95 119.66 118.61 3h5a s GLN 27 Ca 0.53 -0.82 -0.05 0.00 -1.95 0.00 0.00 55.36 53.06 3h5a s GLN 27 Cb -0.36 -2.24 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 3h5a s GLN 27 CO 0.42 0.59 0.03 -0.47 -0.25 0.00 0.00 175.29 175.60 3h5a s TYR 28 N -0.74 3.08 -0.13 0.91 5.04 -1.26 -2.22 117.35 122.02 3h5a s TYR 28 Ca 0.12 -0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3h5a s TYR 28 Cb -0.10 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 3h5a s TYR 28 CO 0.01 -0.55 -0.09 0.54 -1.34 0.00 0.00 175.55 174.12 3h5a s VAL 29 N 1.49 3.44 -0.17 3.14 0.11 -0.31 -4.98 120.40 123.12 3h5a s VAL 29 Ca 0.04 -0.53 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 3h5a s VAL 29 Cb -0.16 -2.47 -0.15 0.00 -1.53 0.00 0.00 36.38 32.07 3h5a s VAL 29 CO 0.00 0.52 0.23 -0.33 -3.33 0.00 0.00 175.10 172.20 3h5a h GLU 30 N 6.56 0.00 -5.88 1.54 3.07 -1.92 0.24 114.58 118.19 3h5a h GLU 30 Ca -0.30 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.05 3h5a h GLU 30 Cb 1.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 3h5a h GLU 30 CO 0.58 0.69 1.48 1.21 -1.40 0.00 0.00 179.01 181.57 3h5a s ASN 31 N -6.35 5.04 0.60 1.42 3.04 -1.26 -0.71 114.94 116.73 3h5a s ASN 31 Ca -0.21 1.02 0.31 0.00 0.04 0.00 0.00 52.86 54.03 3h5a s ASN 31 Cb 0.02 -2.51 1.84 0.00 -1.54 0.00 0.00 41.25 39.06 3h5a s ASN 31 CO 0.47 -2.42 2.20 0.25 -3.04 0.00 0.00 177.10 174.56 3h5a h LEU 32 N 17.13 0.00 0.52 3.21 6.46 -1.86 -0.23 115.31 140.54 3h5a h LEU 32 Ca -0.29 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 3h5a h LEU 32 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 3h5a h LEU 32 CO 1.13 0.00 -0.25 -0.37 -0.62 0.00 0.00 178.44 178.33 3h5a h VAL 33 N 0.00 0.49 -0.91 1.05 -1.51 -1.91 -2.50 116.25 110.96 3h5a h VAL 33 Ca 0.03 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.51 3h5a h VAL 33 Cb 0.20 0.49 -0.04 0.00 -2.13 0.00 0.00 31.29 29.80 3h5a h VAL 33 CO -0.00 0.00 0.59 0.25 -1.23 0.00 0.00 177.57 177.18 3h5a h LEU 34 N -0.69 1.06 0.36 4.19 5.85 -1.55 -2.28 115.31 122.25 3h5a h LEU 34 Ca -0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3h5a h LEU 34 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3h5a h LEU 34 CO 0.12 0.77 -0.33 -0.25 -0.34 0.00 0.00 178.44 178.41 3h5a h TRP 35 N 1.24 -0.90 -0.86 1.25 7.01 -1.03 0.12 115.95 122.77 3h5a h TRP 35 Ca 0.33 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.46 3h5a h TRP 35 Cb -0.13 0.35 -0.07 0.00 -2.10 0.00 0.00 29.16 27.22 3h5a h TRP 35 CO 0.00 -0.44 0.56 0.93 -2.79 0.00 0.00 178.44 176.70 3h5a h GLU 36 N -0.68 0.69 -0.20 2.65 5.08 -1.44 0.35 114.58 121.04 3h5a h GLU 36 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3h5a h GLU 36 Cb 0.58 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3h5a h GLU 36 CO -0.02 0.46 0.12 -0.91 -1.00 0.00 0.00 179.01 177.65 3h5a h ASN 37 N 0.71 0.24 -0.54 1.42 4.21 -1.05 0.19 115.58 120.77 3h5a h ASN 37 Ca 0.42 -0.05 0.10 0.00 1.21 0.00 0.00 56.30 57.98 3h5a h ASN 37 Cb 0.63 -0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 37.68 3h5a h ASN 37 CO -0.18 0.22 0.05 0.40 -1.29 0.00 0.00 177.43 176.63 3h5a h ILE 38 N 0.23 0.63 -0.54 2.81 2.04 0.13 -0.69 117.51 122.12 3h5a h ILE 38 Ca 0.07 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3h5a h ILE 38 Cb 0.03 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3h5a h ILE 38 CO -0.01 0.03 0.06 0.16 0.00 0.00 0.00 178.15 178.39 3h5a h ILE 39 N 0.18 1.26 -0.10 -0.67 -0.00 -0.78 0.63 117.51 118.03 3h5a h ILE 39 Ca 0.28 -1.00 0.04 0.00 -0.00 0.00 0.00 64.86 64.18 3h5a h ILE 39 Cb 0.41 0.86 -0.06 0.00 -0.00 0.00 0.00 36.82 38.03 3h5a h ILE 39 CO -0.41 0.36 -0.32 0.11 -0.00 0.00 0.00 178.15 177.89 3h5a h LYS 40 N 0.79 -0.40 -0.03 0.16 1.57 0.00 -1.36 116.57 117.31 3h5a h LYS 40 Ca 0.16 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3h5a h LYS 40 Cb 0.44 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3h5a h LYS 40 CO 0.02 -0.27 -0.45 0.00 -0.57 0.00 0.00 179.45 178.18 3h5a h THR 41 N -0.42 1.32 -0.47 -0.16 1.03 -0.93 -2.84 112.91 110.45 3h5a h THR 41 Ca 0.09 -1.56 0.02 0.00 -0.01 0.00 0.00 66.41 64.95 3h5a h THR 41 Cb 0.55 1.81 -0.03 0.00 -1.07 0.00 0.00 68.15 69.41 3h5a h THR 41 CO -0.33 0.45 0.28 0.00 -0.01 0.00 0.00 175.52 175.91 3h5a h ALA 42 N 1.50 0.60 -0.71 0.00 0.00 -0.15 -2.40 119.26 118.11 3h5a h ALA 42 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3h5a h ALA 42 Cb 0.81 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 3h5a h ALA 42 CO 0.06 -0.03 0.22 -0.92 0.00 0.00 0.00 179.25 178.58 3h5a h TYR 43 N 0.56 0.36 -0.18 0.00 3.20 -1.03 -0.03 116.97 119.85 3h5a h TYR 43 Ca 0.19 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3h5a h TYR 43 Cb 0.02 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3h5a h TYR 43 CO -0.07 -0.01 0.24 0.00 -1.64 0.00 0.00 178.16 176.69 3h5a n PHE 45 N -3.61 0.94 0.21 0.00 3.01 -0.03 -4.43 117.46 113.55 3h5a n PHE 45 Ca 0.02 -0.53 0.06 0.00 1.01 0.00 0.00 57.45 58.01 3h5a n PHE 45 Cb 0.36 -0.06 0.55 0.00 -0.01 0.00 0.00 39.48 40.32 3h5a n PHE 45 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3h5a h ILE 46 N 3.60 1.07 -2.96 4.37 2.04 -1.44 -0.16 117.51 124.03 3h5a h ILE 46 Ca 0.00 -0.29 -0.64 0.00 1.00 0.00 0.00 64.86 64.93 3h5a h ILE 46 Cb 1.03 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 38.09 3h5a h ILE 46 CO 0.05 0.09 -0.50 -0.89 0.00 0.00 0.00 178.15 176.90 3h5a s THR 47 N -4.93 5.30 -0.15 -0.27 2.01 -1.26 -4.57 115.64 111.77 3h5a s THR 47 Ca -0.05 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 3h5a s THR 47 Cb 0.16 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3h5a s THR 47 CO 0.69 0.55 1.96 -2.16 -0.69 0.00 0.00 174.62 174.96 3h5a s PRO 48 N -0.44 3.62 -0.03 4.92 0.04 -1.26 -4.73 135.00 137.12 3h5a s PRO 48 Ca 0.11 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 3h5a s PRO 48 Cb -0.12 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.22 3h5a s PRO 48 CO 0.02 -1.53 0.08 -1.12 0.04 0.00 0.00 177.00 174.48 3h5a s SER 49 N 5.92 -0.07 0.80 6.66 0.01 -0.24 -4.83 113.70 121.95 3h5a s SER 49 Ca 0.88 0.14 -0.12 0.00 1.31 0.00 0.00 55.95 58.16 3h5a s SER 49 Cb -0.33 0.16 0.08 0.00 0.21 0.00 0.00 66.02 66.14 3h5a s SER 49 CO 0.35 -0.04 1.15 -0.94 0.41 0.00 0.00 173.24 174.18 3h5a s SER 50 N -0.01 3.89 0.21 2.44 1.04 -1.26 -0.75 113.70 119.26 3h5a s SER 50 Ca -0.00 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 58.45 3h5a s SER 50 Cb -0.01 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.80 3h5a s SER 50 CO 0.00 -2.46 1.64 0.22 0.98 0.00 0.00 173.24 173.62 3h5a h TYR 51 N -1.00 -0.24 -0.21 5.02 3.20 -1.97 -1.18 116.97 120.60 3h5a h TYR 51 Ca -0.45 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.27 3h5a h TYR 51 Cb 1.27 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.74 3h5a h TYR 51 CO 0.51 -0.24 -0.67 1.79 -1.64 0.00 0.00 178.16 177.91 3h5a h THR 52 N 0.03 1.28 -0.86 1.81 1.35 -1.96 -2.24 112.91 112.33 3h5a h THR 52 Ca 0.31 -1.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.27 3h5a h THR 52 Cb 0.48 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 3h5a h THR 52 CO -0.60 0.60 0.44 0.00 -0.25 0.00 0.00 175.52 175.71 3h5a h ALA 53 N 0.66 1.10 -0.51 6.62 0.00 -1.82 -2.35 119.26 122.96 3h5a h ALA 53 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h5a h ALA 53 Cb 1.28 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3h5a h ALA 53 CO 0.14 0.63 0.22 0.00 0.00 0.00 0.00 179.25 180.24 3h5a h ALA 54 N 1.24 0.67 -0.64 0.00 0.00 -1.19 -3.23 119.26 116.11 3h5a h ALA 54 Ca 0.30 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3h5a h ALA 54 Cb 0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 3h5a h ALA 54 CO -0.04 0.26 0.15 1.25 0.00 0.00 0.00 179.25 180.87 3h5a h LEU 55 N 0.69 0.04 -1.23 0.00 5.85 -0.88 -1.10 115.31 118.67 3h5a h LEU 55 Ca 0.17 0.12 0.26 0.00 0.84 0.00 0.00 57.88 59.27 3h5a h LEU 55 Cb 0.17 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.24 3h5a h LEU 55 CO -0.02 0.02 0.65 -0.08 -0.34 0.00 0.00 178.44 178.67 3h5a h GLU 56 N 0.28 0.44 0.00 1.25 4.57 -1.49 0.11 114.58 119.75 3h5a h GLU 56 Ca 0.34 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3h5a h GLU 56 Cb 0.51 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3h5a h GLU 56 CO -0.42 0.29 0.00 1.15 -1.18 0.00 0.00 179.01 178.85 3h5a h THR 57 N 0.45 0.00 -3.47 0.32 2.02 -1.31 -3.46 112.91 107.47 3h5a h THR 57 Ca 0.62 -0.59 -0.54 0.00 0.77 0.00 0.00 66.41 66.68 3h5a h THR 57 Cb 1.44 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 3h5a h THR 57 CO -0.37 0.00 0.16 0.00 0.37 0.00 0.00 175.52 175.68 3h5a s ALA 58 N -3.19 3.43 -0.64 6.16 0.00 0.38 -4.99 121.76 122.89 3h5a s ALA 58 Ca 0.08 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3h5a s ALA 58 Cb 0.10 -2.95 0.40 0.00 0.00 0.00 0.00 23.12 20.67 3h5a s ALA 58 CO 0.59 0.22 1.70 0.09 0.00 0.00 0.00 175.76 178.35 3h5a n ASN 59 N 2.05 6.54 -4.11 0.00 3.02 -1.26 -5.01 115.26 116.50 3h5a n ASN 59 Ca -0.05 -3.79 -0.08 0.00 -0.03 0.00 0.00 54.58 50.63 3h5a n ASN 59 Cb 0.49 -0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 3h5a n ASN 59 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3h5a s ILE 60 N -5.10 0.33 -0.29 2.41 -4.36 -1.26 -5.10 121.20 107.83 3h5a s ILE 60 Ca 0.53 -1.82 -0.40 0.00 -0.26 0.00 0.00 60.65 58.71 3h5a s ILE 60 Cb 0.44 -1.53 -0.16 0.00 1.25 0.00 0.00 42.46 42.47 3h5a s ILE 60 CO -0.23 -0.95 1.77 -2.65 0.24 0.00 0.00 174.94 173.12 3h5a n PRO 61 N 0.12 1.11 -0.39 0.37 -0.02 -1.26 -4.79 135.00 130.13 3h5a n PRO 61 Ca -0.14 0.40 0.35 0.00 -2.02 0.00 0.00 63.50 62.10 3h5a n PRO 61 Cb 0.61 -2.10 0.61 0.00 -0.02 0.00 0.00 33.50 32.60 3h5a n PRO 61 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3h5a n GLU 62 N 5.54 -0.04 -0.11 -0.52 0.00 -1.26 -0.26 120.64 123.99 3h5a n GLU 62 Ca 0.28 1.23 -0.13 0.00 0.00 0.00 0.00 57.16 58.54 3h5a n GLU 62 Cb 0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 31.44 29.19 3h5a n GLU 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3h5a h LYS 63 N 0.00 0.80 -0.36 5.31 1.79 -2.02 -3.22 116.57 118.88 3h5a h LYS 63 Ca 0.82 -0.40 -0.06 0.00 -2.18 0.00 0.00 60.65 58.83 3h5a h LYS 63 Cb 2.48 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 33.12 3h5a h LYS 63 CO -0.55 1.03 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.37 3h5a h ASP 64 N 0.59 0.55 -0.51 0.86 3.32 -0.98 -1.58 116.42 118.66 3h5a h ASP 64 Ca 0.06 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.03 3h5a h ASP 64 Cb 0.85 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3h5a h ASP 64 CO 0.07 0.65 0.34 0.15 -1.72 0.00 0.00 179.24 178.73 3h5a h PHE 65 N 0.54 0.53 -0.17 4.55 3.57 -1.47 -2.69 116.94 121.80 3h5a h PHE 65 Ca 0.11 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3h5a h PHE 65 Cb 0.41 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3h5a h PHE 65 CO 0.02 0.30 -0.39 1.03 -2.23 0.00 0.00 178.31 177.04 3h5a h SER 66 N 0.55 0.40 0.13 0.41 0.87 -1.29 -0.23 113.55 114.38 3h5a h SER 66 Ca 0.21 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3h5a h SER 66 Cb 0.16 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3h5a h SER 66 CO -0.06 0.76 -0.06 0.78 -0.53 0.00 0.00 176.83 177.72 3h5a h ASN 67 N 0.32 -0.14 -0.46 6.23 2.35 -1.46 -2.37 115.58 120.06 3h5a h ASN 67 Ca 0.03 -0.37 0.06 0.00 -0.55 0.00 0.00 56.30 55.48 3h5a h ASN 67 Cb 0.83 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.19 3h5a h ASN 67 CO 0.07 0.33 0.14 0.00 -1.65 0.00 0.00 177.43 176.32 3h5a h PHE 69 N 0.30 -0.57 -0.56 0.00 3.57 -1.07 0.21 116.94 118.82 3h5a h PHE 69 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3h5a h PHE 69 Cb 0.24 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3h5a h PHE 69 CO -0.17 -0.30 0.33 0.00 -2.23 0.00 0.00 178.31 175.94 3h5a h ARG 70 N -0.27 0.75 0.37 1.11 3.08 -0.96 0.15 114.38 118.62 3h5a h ARG 70 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3h5a h ARG 70 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3h5a h ARG 70 CO -0.30 0.54 -0.18 0.35 -1.07 0.00 0.00 179.97 179.31 3h5a h PHE 71 N 0.77 -0.47 -0.67 3.04 3.57 -0.30 -1.36 116.94 121.53 3h5a h PHE 71 Ca 0.20 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.88 3h5a h PHE 71 Cb -0.02 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3h5a h PHE 71 CO 0.00 -0.29 0.53 -0.07 -2.23 0.00 0.00 178.31 176.25 3h5a h LEU 72 N -0.53 0.00 0.06 0.59 3.38 -0.84 -0.85 115.31 117.11 3h5a h LEU 72 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h5a h LEU 72 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3h5a h LEU 72 CO 0.08 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.09 3h5a h LYS 73 N 0.00 -0.07 -0.89 1.13 3.64 -0.67 0.29 116.57 120.00 3h5a h LYS 73 Ca 0.32 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3h5a h LYS 73 Cb 1.37 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 3h5a h LYS 73 CO -0.00 0.52 0.58 0.93 -2.27 0.00 0.00 179.45 179.21 3h5a h GLU 74 N -0.89 1.18 -0.00 1.90 5.08 -0.67 -2.23 114.58 118.96 3h5a h GLU 74 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3h5a h GLU 74 Cb 0.63 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h5a h GLU 74 CO 0.01 0.79 -0.01 0.09 -1.00 0.00 0.00 179.01 178.90 3h5a n ASN 75 N -4.39 0.02 -0.76 1.42 3.02 -0.38 -4.93 115.26 109.26 3h5a n ASN 75 Ca 0.10 -0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.54 3h5a n ASN 75 Cb 0.03 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 3h5a n ASN 75 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h5a n PHE 76 N -1.32 -0.17 0.08 3.10 3.72 -0.84 -4.92 117.46 117.11 3h5a n PHE 76 Ca 0.13 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 3h5a n PHE 76 Cb 0.26 -1.88 -0.02 0.00 -0.94 0.00 0.00 39.48 36.90 3h5a n PHE 76 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3h5a h PHE 77 N 0.00 0.41 -3.78 1.38 0.05 -1.40 -3.42 116.94 110.16 3h5a h PHE 77 Ca -0.18 -0.22 -0.68 0.00 3.82 0.00 0.00 57.97 60.71 3h5a h PHE 77 Cb 0.80 -0.05 -0.20 0.00 2.00 0.00 0.00 35.95 38.51 3h5a h PHE 77 CO 0.22 1.04 -0.75 0.96 -0.18 0.00 0.00 178.31 179.60 3h5a s ILE 78 N -3.23 3.27 0.08 -0.55 -4.36 -0.06 -0.22 121.20 116.14 3h5a s ILE 78 Ca -0.04 -0.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 3h5a s ILE 78 Cb 0.10 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 3h5a s ILE 78 CO 0.84 0.39 -0.09 0.27 0.24 0.00 0.00 174.94 176.60 3h5a s ILE 79 N -0.94 0.78 0.29 8.37 -4.36 -0.22 -4.50 121.20 120.61 3h5a s ILE 79 Ca 0.16 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.72 3h5a s ILE 79 Cb -0.11 -1.21 -0.14 0.00 1.25 0.00 0.00 42.46 42.25 3h5a s ILE 79 CO 0.06 -0.57 1.08 -2.65 0.24 0.00 0.00 174.94 173.10 3h5a n PRO 80 N 0.70 1.48 0.26 0.37 -0.02 -1.26 -0.54 135.00 135.99 3h5a n PRO 80 Ca -0.17 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3h5a n PRO 80 Cb 0.57 -1.94 0.69 0.00 -0.02 0.00 0.00 33.50 32.81 3h5a n PRO 80 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h5a h GLY 81 N 2.27 0.00 0.96 -1.23 0.00 -0.67 -2.41 103.07 101.99 3h5a h GLY 81 Ca -0.41 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.04 3h5a h GLY 81 CO 0.62 0.00 0.41 1.05 0.00 0.00 0.00 176.54 178.62 3h5a h GLU 82 N 0.00 0.30 0.00 4.80 -0.00 -1.89 -2.43 114.58 115.35 3h5a h GLU 82 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3h5a h GLU 82 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.74 3h5a h GLU 82 CO 0.00 0.20 0.00 0.66 -0.00 0.00 0.00 179.01 179.87 3h5a n TYR 83 N -4.45 0.00 0.76 2.06 4.02 -0.91 -2.96 117.16 115.68 3h5a n TYR 83 Ca 0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.08 3h5a n TYR 83 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.78 3h5a n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3h5a n ASN 84 N -0.90 1.72 -4.62 7.72 4.13 -0.91 -4.64 115.26 117.75 3h5a n ASN 84 Ca 0.07 -1.36 -0.43 0.00 1.68 0.00 0.00 54.58 54.54 3h5a n ASN 84 Cb 0.03 0.46 -0.02 0.00 -1.54 0.00 0.00 39.78 38.70 3h5a n ASN 84 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3h5a s ASN 85 N -1.97 6.61 0.00 6.41 0.01 -1.16 -4.92 114.94 119.92 3h5a s ASN 85 Ca 0.14 1.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.44 3h5a s ASN 85 Cb 0.14 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.26 3h5a s ASN 85 CO 0.42 -1.14 0.00 -1.54 -1.51 0.00 0.00 177.10 173.33 3h5a n SER 86 N 7.85 0.00 -3.18 -1.22 3.41 -1.26 -4.92 113.62 114.30 3h5a n SER 86 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 3h5a n SER 86 Cb 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3h5a n SER 86 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h5a s THR 87 N 2.60 0.00 -0.21 6.66 2.01 -1.26 -5.01 115.64 120.43 3h5a s THR 87 Ca 0.00 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.85 3h5a s THR 87 Cb 0.00 -2.68 0.16 0.00 0.01 0.00 0.00 72.50 70.00 3h5a s THR 87 CO 0.00 0.00 1.16 -1.84 -0.69 0.00 0.00 174.62 173.25 3h5a n GLU 88 N -0.52 1.39 0.00 4.92 0.00 -1.26 -4.95 120.64 120.21 3h5a n GLU 88 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 57.16 56.39 3h5a n GLU 88 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.71 3h5a n GLU 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3h5a n ASN 90 N 0.11 0.88 0.00 -1.84 5.15 -1.26 -5.12 115.26 113.18 3h5a n ASN 90 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 3h5a n ASN 90 Cb 0.74 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 3h5a n ASN 90 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3h5a n ARG 91 N -1.58 0.00 -0.99 1.20 0.63 -1.26 -4.69 116.66 109.98 3h5a n ARG 91 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3h5a n ARG 91 Cb 0.11 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.31 3h5a n ARG 91 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3h5a n TYR 92 N 0.00 2.32 0.02 -0.14 4.02 -1.26 -4.57 117.16 117.55 3h5a n TYR 92 Ca 0.00 -1.24 -0.03 0.00 -0.01 0.00 0.00 57.90 56.62 3h5a n TYR 92 Cb 0.00 -0.67 0.22 0.00 -0.02 0.00 0.00 39.34 38.87 3h5a n TYR 92 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3h5a h SER 93 N 2.45 0.47 -0.74 7.72 0.02 -1.98 -2.53 113.55 118.96 3h5a h SER 93 Ca 0.26 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3h5a h SER 93 Cb 2.27 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 64.65 3h5a h SER 93 CO 0.71 0.70 0.39 0.03 -1.14 0.00 0.00 176.83 177.52 3h5a h ARG 94 N 0.42 1.04 0.00 3.45 -0.00 -2.00 -2.20 114.38 115.09 3h5a h ARG 94 Ca 0.07 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 3h5a h ARG 94 Cb 0.62 -0.20 -0.00 0.00 0.00 0.00 0.00 29.97 30.39 3h5a h ARG 94 CO 0.04 0.79 -0.08 -0.91 0.00 0.00 0.00 179.97 179.81 3h5a h ASN 95 N 1.03 0.00 -0.19 7.04 2.35 -1.83 -3.30 115.58 120.67 3h5a h ASN 95 Ca 0.26 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 3h5a h ASN 95 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3h5a h ASN 95 CO -0.04 0.08 -0.22 -0.26 -1.65 0.00 0.00 177.43 175.35 3h5a h PHE 96 N 0.00 0.72 -0.49 1.19 -1.00 -0.97 -2.57 116.94 113.82 3h5a h PHE 96 Ca -0.00 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.50 3h5a h PHE 96 Cb 0.68 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 3h5a h PHE 96 CO 0.00 0.80 -0.20 -0.07 -1.61 0.00 0.00 178.31 177.23 3h5a h LEU 97 N 0.57 1.02 -0.31 1.54 3.38 -1.65 -1.13 115.31 118.73 3h5a h LEU 97 Ca 0.08 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3h5a h LEU 97 Cb 0.68 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3h5a h LEU 97 CO 0.05 1.18 -0.14 -0.74 0.09 0.00 0.00 178.44 178.88 3h5a h HIS 98 N 0.86 -0.35 -0.74 1.13 2.76 -1.67 -0.04 115.15 117.10 3h5a h HIS 98 Ca 0.11 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 3h5a h HIS 98 Cb 0.78 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3h5a h HIS 98 CO 0.05 -0.22 0.27 1.88 -1.30 0.00 0.00 177.93 178.62 3h5a h TYR 99 N -0.10 1.13 -0.34 5.26 0.05 -1.29 -2.75 116.97 118.94 3h5a h TYR 99 Ca 0.16 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3h5a h TYR 99 Cb 0.34 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3h5a h TYR 99 CO -0.35 0.87 0.14 1.96 -1.05 0.00 0.00 178.16 179.73 3h5a h GLN 100 N 1.08 0.29 0.00 4.88 4.20 -0.71 -1.82 115.11 123.03 3h5a h GLN 100 Ca 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3h5a h GLN 100 Cb 0.24 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3h5a h GLN 100 CO -0.02 0.19 0.00 0.66 -0.67 0.00 0.00 178.83 179.00 3h5a h SER 101 N 0.30 0.00 -0.02 1.46 4.64 -0.72 0.23 113.55 119.44 3h5a h SER 101 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3h5a h SER 101 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3h5a h SER 101 CO -0.13 0.00 -0.20 -1.22 -0.87 0.00 0.00 176.83 174.40 3h5a n TYR 102 N -2.31 0.00 -0.47 4.77 4.02 -0.96 -4.79 117.16 117.42 3h5a n TYR 102 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3h5a n TYR 102 Cb 0.18 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3h5a n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h5a n GLY 103 N 1.37 0.91 3.71 2.72 0.00 0.81 -4.91 105.19 109.80 3h5a n GLY 103 Ca 0.12 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3h5a n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a s ALA 104 N -2.00 3.32 -0.29 4.61 0.00 -0.73 -5.02 121.76 121.66 3h5a s ALA 104 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3h5a s ALA 104 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3h5a s ALA 104 CO 0.00 0.40 1.45 1.21 0.00 0.00 0.00 175.76 178.83 3h5a s ASN 105 N -3.27 6.49 0.56 0.00 3.84 -1.26 -4.00 114.94 117.31 3h5a s ASN 105 Ca 0.30 1.31 0.27 0.00 0.21 0.00 0.00 52.86 54.95 3h5a s ASN 105 Cb -0.09 -2.54 1.49 0.00 -0.55 0.00 0.00 41.25 39.57 3h5a s ASN 105 CO 0.21 -1.22 1.99 -0.65 -2.79 0.00 0.00 177.10 174.64 3h5a h PRO 106 N 10.15 0.00 0.18 0.43 0.11 -1.86 -1.12 132.00 139.89 3h5a h PRO 106 Ca -0.29 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 3h5a h PRO 106 Cb 1.12 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3h5a h PRO 106 CO 1.03 0.00 -1.20 0.28 -0.21 0.00 0.00 178.00 177.90 3h5a h VAL 107 N 0.00 1.31 -0.41 3.15 2.07 -1.91 -2.12 116.25 118.34 3h5a h VAL 107 Ca 0.20 -2.56 0.07 0.00 0.82 0.00 0.00 66.70 65.23 3h5a h VAL 107 Cb 0.93 3.03 -0.09 0.00 -1.52 0.00 0.00 31.29 33.64 3h5a h VAL 107 CO -0.00 0.75 -0.44 -0.07 0.02 0.00 0.00 177.57 177.83 3h5a h LEU 108 N -0.17 -1.48 -0.12 2.57 3.38 -1.63 -1.58 115.31 116.28 3h5a h LEU 108 Ca -0.22 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3h5a h LEU 108 Cb 1.86 0.64 -0.06 0.00 0.09 0.00 0.00 40.66 43.19 3h5a h LEU 108 CO 0.17 -0.37 -0.30 0.58 0.09 0.00 0.00 178.44 178.61 3h5a h VAL 109 N -0.33 0.32 -0.80 1.22 2.07 -1.36 -1.89 116.25 115.48 3h5a h VAL 109 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 3h5a h VAL 109 Cb 0.59 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3h5a h VAL 109 CO -0.58 0.00 0.45 1.56 0.02 0.00 0.00 177.57 179.01 3h5a h GLN 110 N -0.38 0.73 -0.17 1.57 1.08 -1.23 -1.81 115.11 114.90 3h5a h GLN 110 Ca 0.09 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3h5a h GLN 110 Cb 0.53 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3h5a h GLN 110 CO -0.34 0.48 0.02 -0.44 -0.95 0.00 0.00 178.83 177.61 3h5a h ASP 111 N 0.75 -0.01 -0.94 1.46 5.19 -0.57 0.44 116.42 122.74 3h5a h ASP 111 Ca 0.38 0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.96 3h5a h ASP 111 Cb 0.36 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.82 3h5a h ASP 111 CO -0.25 0.02 0.56 0.11 -3.12 0.00 0.00 179.24 176.56 3h5a h LYS 112 N 0.09 0.81 -0.63 3.56 1.57 -0.96 0.31 116.57 121.31 3h5a h LYS 112 Ca 0.08 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3h5a h LYS 112 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3h5a h LYS 112 CO -0.11 0.54 0.02 -0.07 -0.57 0.00 0.00 179.45 179.26 3h5a h LEU 113 N 0.83 1.07 -1.17 2.94 3.38 -0.38 -2.34 115.31 119.64 3h5a h LEU 113 Ca 0.49 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3h5a h LEU 113 Cb 0.60 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h5a h LEU 113 CO -0.31 1.10 -0.33 0.11 0.09 0.00 0.00 178.44 179.10 3h5a h LYS 114 N 1.00 0.00 -0.48 1.13 1.57 0.41 0.82 116.57 121.01 3h5a h LYS 114 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3h5a h LYS 114 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3h5a h LYS 114 CO 0.03 0.33 0.00 0.09 -0.57 0.00 0.00 179.45 179.33 3h5a n ASN 115 N -3.65 2.75 -4.89 0.86 3.02 -0.04 -3.55 115.26 109.77 3h5a n ASN 115 Ca -0.01 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.31 3h5a n ASN 115 Cb 0.44 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3h5a n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h5a s ALA 116 N -1.36 3.80 -0.11 5.41 0.00 -0.91 -5.00 121.76 123.60 3h5a s ALA 116 Ca 0.35 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3h5a s ALA 116 Cb 0.18 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.72 3h5a s ALA 116 CO 0.25 0.49 -0.15 0.21 0.00 0.00 0.00 175.76 176.56 3h5a s LYS 117 N -3.26 2.23 -0.06 0.00 2.20 -1.26 -1.30 119.74 118.29 3h5a s LYS 117 Ca 0.33 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 3h5a s LYS 117 Cb -0.10 -1.90 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 3h5a s LYS 117 CO 0.26 -0.06 -0.11 0.08 -0.36 0.00 0.00 175.35 175.16 3h5a s VAL 118 N 0.98 1.07 -0.17 4.02 1.01 -0.61 -1.64 120.40 125.05 3h5a s VAL 118 Ca -0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 3h5a s VAL 118 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3h5a s VAL 118 CO -0.02 0.34 0.32 -0.69 0.00 0.00 0.00 175.10 175.05 3h5a s VAL 119 N 0.66 5.28 -0.55 2.92 1.01 -1.02 -0.42 120.40 128.28 3h5a s VAL 119 Ca -0.14 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 3h5a s VAL 119 Cb -0.15 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.71 3h5a s VAL 119 CO 0.03 0.35 0.51 -0.63 0.00 0.00 0.00 175.10 175.36 3h5a s ILE 120 N 0.71 5.18 -0.95 2.22 -1.09 0.29 -0.42 121.20 127.14 3h5a s ILE 120 Ca 0.17 -1.57 -0.21 0.00 -2.23 0.00 0.00 60.65 56.81 3h5a s ILE 120 Cb -0.13 -4.32 0.10 0.00 -1.58 0.00 0.00 42.46 36.52 3h5a s ILE 120 CO 0.05 -0.87 1.25 -0.22 -1.23 0.00 0.00 174.94 173.92 3h5a s LEU 121 N 1.50 4.39 0.00 2.97 2.96 0.48 -1.86 118.68 129.13 3h5a s LEU 121 Ca 0.04 -1.75 0.00 0.00 -0.22 0.00 0.00 54.13 52.20 3h5a s LEU 121 Cb -0.29 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 43.93 3h5a s LEU 121 CO 0.02 -1.26 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 3h5a n GLY 122 N 6.03 1.58 2.30 7.98 0.00 -0.33 -3.21 105.19 119.54 3h5a n GLY 122 Ca 0.26 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 3h5a n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a n GLY 124 N -0.67 -2.27 0.23 0.00 0.00 -1.26 -4.35 105.19 96.87 3h5a n GLY 124 Ca 0.47 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 3h5a n GLY 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h5a h GLY 125 N -0.11 0.25 0.86 -0.02 0.00 -1.95 -0.29 103.07 101.81 3h5a h GLY 125 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3h5a h GLY 125 CO 0.00 -0.20 -0.22 -2.22 0.00 0.00 0.00 176.54 173.90 3h5a h ILE 126 N -0.05 0.52 -0.29 2.60 5.03 -1.90 -2.44 117.51 120.98 3h5a h ILE 126 Ca 0.23 -0.24 0.06 0.00 -0.12 0.00 0.00 64.86 64.79 3h5a h ILE 126 Cb 0.41 0.63 -0.06 0.00 -3.03 0.00 0.00 36.82 34.77 3h5a h ILE 126 CO -0.52 0.04 -0.10 1.23 -0.68 0.00 0.00 178.15 178.12 3h5a h GLY 127 N -0.77 0.16 -0.24 5.37 0.00 -1.71 -0.78 103.07 105.09 3h5a h GLY 127 Ca -0.06 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3h5a h GLY 127 CO 0.10 -0.13 -0.14 -2.01 0.00 0.00 0.00 176.54 174.36 3h5a n ASN 128 N -5.28 -0.26 -0.36 0.19 2.85 -0.13 -1.29 115.26 110.99 3h5a n ASN 128 Ca -0.00 1.14 0.01 0.00 -0.11 0.00 0.00 54.58 55.61 3h5a n ASN 128 Cb 0.20 -0.41 0.16 0.00 1.24 0.00 0.00 39.78 40.97 3h5a n ASN 128 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3h5a h HIS 129 N 0.00 1.20 -0.39 1.20 2.76 -1.13 -2.55 115.15 116.23 3h5a h HIS 129 Ca 0.04 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3h5a h HIS 129 Cb 0.10 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 3h5a h HIS 129 CO -0.91 0.67 0.18 0.28 -1.30 0.00 0.00 177.93 176.86 3h5a h VAL 130 N 1.22 1.18 -0.74 5.26 2.07 -0.78 -2.55 116.25 121.91 3h5a h VAL 130 Ca 0.40 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3h5a h VAL 130 Cb 0.04 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3h5a h VAL 130 CO -0.13 0.19 0.45 0.77 0.02 0.00 0.00 177.57 178.87 3h5a h SER 131 N 0.50 0.89 -0.21 0.57 4.64 -0.82 -0.17 113.55 118.95 3h5a h SER 131 Ca 0.13 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3h5a h SER 131 Cb 0.14 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 3h5a h SER 131 CO -0.02 0.69 0.05 0.58 -0.87 0.00 0.00 176.83 177.27 3h5a h VAL 132 N 1.01 0.92 -0.49 0.95 2.07 -1.31 0.32 116.25 119.73 3h5a h VAL 132 Ca 0.27 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.74 3h5a h VAL 132 Cb -0.03 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3h5a h VAL 132 CO -0.05 0.03 0.31 0.40 0.02 0.00 0.00 177.57 178.28 3h5a h ILE 133 N 0.14 1.14 -0.55 4.57 2.04 -1.06 0.00 117.51 123.79 3h5a h ILE 133 Ca 0.09 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3h5a h ILE 133 Cb 0.08 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3h5a h ILE 133 CO -0.11 0.13 -0.06 -0.07 0.00 0.00 0.00 178.15 178.04 3h5a h LEU 134 N 0.65 0.98 0.33 1.44 3.38 -0.59 -2.18 115.31 119.32 3h5a h LEU 134 Ca 0.18 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3h5a h LEU 134 Cb -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3h5a h LEU 134 CO -0.04 1.06 -0.16 0.00 0.09 0.00 0.00 178.44 179.40 3h5a h ALA 135 N 1.03 -0.45 0.00 1.53 0.00 -0.04 -2.29 119.26 119.04 3h5a h ALA 135 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h5a h ALA 135 Cb 0.60 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3h5a h ALA 135 CO 0.04 -0.67 0.00 0.25 0.00 0.00 0.00 179.25 178.86 3h5a n THR 136 N -5.22 0.62 0.87 0.00 -2.24 -0.04 -1.84 114.28 106.43 3h5a n THR 136 Ca -0.10 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 3h5a n THR 136 Cb 0.24 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 3h5a n THR 136 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h5a n SER 137 N -1.25 1.60 0.00 3.42 7.64 -0.83 -4.99 113.62 119.21 3h5a n SER 137 Ca 0.06 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.64 3h5a n SER 137 Cb 0.09 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3h5a n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h5a n GLY 138 N 1.33 1.31 3.64 0.23 0.00 -0.77 -5.02 105.19 105.92 3h5a n GLY 138 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3h5a n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h5a s ILE 139 N -2.00 3.34 0.13 -0.61 -1.09 -0.89 -3.00 121.20 117.08 3h5a s ILE 139 Ca 0.00 0.40 -0.24 0.00 -2.23 0.00 0.00 60.65 58.57 3h5a s ILE 139 Cb 0.00 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 3h5a s ILE 139 CO 0.00 -0.10 1.64 1.23 -1.23 0.00 0.00 174.94 176.48 3h5a h GLY 140 N 11.69 -0.28 -5.06 6.18 0.00 -0.88 -3.44 103.07 111.27 3h5a h GLY 140 Ca -0.41 0.27 -0.59 0.00 0.00 0.00 0.00 47.33 46.60 3h5a h GLY 140 CO 0.97 -0.19 -0.85 1.85 0.00 0.00 0.00 176.54 178.31 3h5a s GLU 141 N -6.09 1.84 -0.06 4.80 2.12 -0.42 -1.47 118.70 119.43 3h5a s GLU 141 Ca -0.15 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.51 3h5a s GLU 141 Cb 0.10 -1.65 0.02 0.00 0.26 0.00 0.00 34.13 32.86 3h5a s GLU 141 CO 0.67 0.33 -0.09 0.42 -0.54 0.00 0.00 175.26 176.05 3h5a s ILE 142 N -0.18 0.89 -0.31 -3.70 1.01 -0.25 -1.57 121.20 117.09 3h5a s ILE 142 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3h5a s ILE 142 Cb -0.10 -0.85 0.05 0.00 0.01 0.00 0.00 42.46 41.57 3h5a s ILE 142 CO 0.01 0.30 0.03 -0.63 0.00 0.00 0.00 174.94 174.65 3h5a s ILE 143 N 0.77 3.21 -0.32 2.92 1.01 0.44 -1.63 121.20 127.60 3h5a s ILE 143 Ca -0.13 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.03 3h5a s ILE 143 Cb -0.15 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3h5a s ILE 143 CO 0.02 -0.12 0.56 -0.76 0.00 0.00 0.00 174.94 174.64 3h5a s LEU 144 N 1.30 4.20 -0.24 2.97 1.43 0.05 -0.55 118.68 127.84 3h5a s LEU 144 Ca -0.04 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3h5a s LEU 144 Cb -0.20 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.35 3h5a s LEU 144 CO -0.00 -0.45 -0.05 -0.63 0.23 0.00 0.00 176.35 175.45 3h5a s ILE 145 N 2.47 3.08 -0.18 -0.59 1.01 -0.77 -1.92 121.20 124.29 3h5a s ILE 145 Ca 0.22 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 3h5a s ILE 145 Cb -0.15 -2.50 0.14 0.00 0.01 0.00 0.00 42.46 39.96 3h5a s ILE 145 CO 0.12 0.28 1.14 -0.62 0.00 0.00 0.00 174.94 175.86 3h5a s ASP 146 N 1.39 -0.21 -0.08 3.58 -1.08 -0.90 -1.19 116.67 118.18 3h5a s ASP 146 Ca 0.02 0.12 0.12 0.00 -0.52 0.00 0.00 52.55 52.29 3h5a s ASP 146 Cb -0.16 0.20 0.20 0.00 -1.46 0.00 0.00 42.92 41.70 3h5a s ASP 146 CO -0.04 -0.27 1.10 -3.20 0.52 0.00 0.00 175.17 173.28 3h5a n ASN 147 N 0.25 1.30 -4.97 -0.34 5.15 -1.25 -2.93 115.26 112.47 3h5a n ASN 147 Ca -0.04 -2.67 -0.22 0.00 -0.60 0.00 0.00 54.58 51.06 3h5a n ASN 147 Cb 0.59 -0.34 -0.01 0.00 -0.53 0.00 0.00 39.78 39.49 3h5a n ASN 147 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3h5a s ASP 148 N -2.13 6.10 0.11 1.20 1.01 -1.26 -4.94 116.67 116.77 3h5a s ASP 148 Ca 0.20 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.64 3h5a s ASP 148 Cb 0.19 -1.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.43 3h5a s ASP 148 CO -0.00 -0.37 0.07 -1.10 0.21 0.00 0.00 175.17 173.98 3h5a s GLN 149 N -4.25 2.79 -0.01 8.23 1.11 -1.26 -1.99 119.66 124.28 3h5a s GLN 149 Ca 0.42 -0.79 -0.30 0.00 0.01 0.00 0.00 55.36 54.69 3h5a s GLN 149 Cb -0.10 -2.65 -0.06 0.00 -1.01 0.00 0.00 33.01 29.20 3h5a s GLN 149 CO 0.33 0.53 1.54 0.42 0.01 0.00 0.00 175.29 178.13 3h5a s ILE 150 N -1.49 3.54 0.29 1.08 1.01 0.15 -4.81 121.20 120.97 3h5a s ILE 150 Ca 0.29 0.84 0.06 0.00 0.00 0.00 0.00 60.65 61.83 3h5a s ILE 150 Cb -0.11 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3h5a s ILE 150 CO 0.21 -0.03 0.42 -1.61 0.00 0.00 0.00 174.94 173.93 3h5a s GLU 151 N 3.13 3.29 0.03 2.79 2.02 -1.26 -0.37 118.70 128.32 3h5a s GLU 151 Ca 0.69 -0.87 -0.05 0.00 0.02 0.00 0.00 54.97 54.76 3h5a s GLU 151 Cb -0.33 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 3h5a s GLU 151 CO 0.28 0.24 0.35 -1.71 0.02 0.00 0.00 175.26 174.45 3h5a n ASN 152 N -1.53 -0.19 0.00 -0.19 5.15 -1.26 -2.44 115.26 114.80 3h5a n ASN 152 Ca -0.05 0.39 0.13 0.00 -0.60 0.00 0.00 54.58 54.46 3h5a n ASN 152 Cb 0.57 -0.08 0.60 0.00 -0.53 0.00 0.00 39.78 40.34 3h5a n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3h5a n THR 153 N -3.68 0.14 0.24 -0.44 -2.24 -1.26 -3.51 114.28 103.52 3h5a n THR 153 Ca 0.00 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3h5a n THR 153 Cb 0.05 -0.57 0.54 0.00 -2.10 0.00 0.00 70.33 68.25 3h5a n THR 153 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3h5a h ASN 154 N 0.00 0.00 0.50 3.42 2.35 -1.88 -3.19 115.58 116.77 3h5a h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h5a h ASN 154 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3h5a h ASN 154 CO 0.00 0.19 0.00 -0.07 -1.65 0.00 0.00 177.43 175.90 3h5a h LEU 155 N 0.00 0.00 -0.03 1.61 3.38 -1.72 -1.57 115.31 116.98 3h5a h LEU 155 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h5a h LEU 155 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3h5a h LEU 155 CO 0.02 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.96 3h5a n THR 156 N -2.46 0.57 0.00 0.22 -1.04 -1.21 -4.28 114.28 106.09 3h5a n THR 156 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3h5a n THR 156 Cb 0.17 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3h5a n THR 156 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3h5a n ARG 157 N -2.22 3.05 -3.71 -2.82 1.74 -0.67 -4.73 116.66 107.31 3h5a n ARG 157 Ca 0.06 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 3h5a n ARG 157 Cb 0.42 -0.94 -0.09 0.00 -1.02 0.00 0.00 32.46 30.82 3h5a n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h5a s GLN 158 N -1.88 2.71 0.00 5.56 -0.21 -0.75 -4.74 119.66 120.35 3h5a s GLN 158 Ca 0.00 -2.71 0.00 0.00 0.02 0.00 0.00 55.36 52.67 3h5a s GLN 158 Cb 0.00 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 30.24 3h5a s GLN 158 CO 0.00 -1.20 0.12 1.55 -2.12 0.00 0.00 175.29 173.64 3h5a n VAL 159 N 3.20 0.00 0.45 1.09 3.14 -1.26 -2.32 118.33 122.63 3h5a n VAL 159 Ca 0.11 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.54 3h5a n VAL 159 Cb 0.38 -0.29 -0.06 0.00 -1.06 0.00 0.00 33.84 32.80 3h5a n VAL 159 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3h5a n LEU 160 N -0.14 0.45 -4.86 6.55 4.77 -1.26 -5.05 117.00 117.45 3h5a n LEU 160 Ca 0.00 -0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 55.17 3h5a n LEU 160 Cb 0.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3h5a n LEU 160 CO 0.00 0.11 -0.02 -0.36 -1.33 0.00 0.00 177.39 175.80 3h5a s PHE 161 N -2.10 3.65 0.45 -1.77 2.99 -0.98 -5.01 117.98 115.21 3h5a s PHE 161 Ca 0.03 0.75 0.08 0.00 0.00 0.00 0.00 56.93 57.79 3h5a s PHE 161 Cb 0.08 -2.11 0.02 0.00 0.00 0.00 0.00 43.02 41.01 3h5a s PHE 161 CO 0.44 0.66 0.61 -1.12 -0.00 0.00 0.00 175.22 175.81 3h5a s SER 162 N -1.24 5.56 0.58 1.36 0.01 -1.26 -4.98 113.70 113.72 3h5a s SER 162 Ca 0.23 -0.47 0.35 0.00 1.31 0.00 0.00 55.95 57.36 3h5a s SER 162 Cb -0.14 -0.52 1.79 0.00 0.21 0.00 0.00 66.02 67.36 3h5a s SER 162 CO 0.11 -0.87 2.17 -0.33 0.41 0.00 0.00 173.24 174.74 3h5a h GLU 163 N 0.55 0.00 -0.14 12.44 5.08 -2.01 -2.81 114.58 127.70 3h5a h GLU 163 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3h5a h GLU 163 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h5a h GLU 163 CO 0.45 0.05 0.00 -3.47 -1.00 0.00 0.00 179.01 175.03 3h5a n ASP 164 N -3.36 1.01 -0.01 1.42 4.64 -1.26 -3.72 116.55 115.27 3h5a n ASP 164 Ca -0.02 -1.74 0.07 0.00 -1.38 0.00 0.00 54.79 51.72 3h5a n ASP 164 Cb 0.18 -0.09 -0.10 0.00 -1.04 0.00 0.00 41.12 40.07 3h5a n ASP 164 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3h5a n ASP 165 N -0.06 1.48 -4.63 1.67 8.00 -1.06 -4.94 116.55 117.01 3h5a n ASP 165 Ca 0.12 -0.19 -0.47 0.00 0.71 0.00 0.00 54.79 54.96 3h5a n ASP 165 Cb 0.20 1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 42.77 3h5a n ASP 165 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3h5a n VAL 166 N -1.84 0.88 0.00 2.53 3.14 -1.24 -1.36 118.33 120.43 3h5a n VAL 166 Ca -0.01 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 3h5a n VAL 166 Cb 0.34 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 3h5a n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h5a n GLY 167 N 2.14 3.04 3.86 7.55 0.00 0.50 -4.97 105.19 117.31 3h5a n GLY 167 Ca 0.13 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3h5a n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5a s LYS 168 N 0.00 2.82 0.27 1.61 1.02 -0.46 -4.62 119.74 120.37 3h5a s LYS 168 Ca 0.00 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 3h5a s LYS 168 Cb 0.00 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 3h5a s LYS 168 CO 0.00 -1.10 1.26 -0.80 -0.92 0.00 0.00 175.35 173.79 3h5a s ASN 169 N -4.17 6.94 0.16 2.83 0.01 -1.26 -0.68 114.94 118.78 3h5a s ASN 169 Ca 0.58 2.47 -0.18 0.00 -0.71 0.00 0.00 52.86 55.02 3h5a s ASN 169 Cb -0.12 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 39.00 3h5a s ASN 169 CO 0.53 -0.43 1.66 0.11 -1.51 0.00 0.00 177.10 177.45 3h5a h LYS 170 N 4.27 -0.06 0.00 -0.60 1.57 -1.71 -2.21 116.57 117.83 3h5a h LYS 170 Ca -0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3h5a h LYS 170 Cb 1.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3h5a h LYS 170 CO 0.70 -0.04 -0.25 1.79 -0.57 0.00 0.00 179.45 181.09 3h5a h THR 171 N -0.06 1.15 0.40 -0.16 1.35 -1.87 -1.79 112.91 111.92 3h5a h THR 171 Ca 0.18 -0.86 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 3h5a h THR 171 Cb 0.34 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3h5a h THR 171 CO -0.42 0.24 -0.19 -0.08 -0.25 0.00 0.00 175.52 174.83 3h5a h GLU 172 N 0.00 -0.51 -0.38 4.72 4.81 -1.79 -1.50 114.58 119.93 3h5a h GLU 172 Ca -0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3h5a h GLU 172 Cb 0.45 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3h5a h GLU 172 CO 0.03 -0.33 0.04 0.28 -0.73 0.00 0.00 179.01 178.30 3h5a h VAL 173 N -0.56 1.25 -0.80 0.32 2.07 -1.26 -2.21 116.25 115.07 3h5a h VAL 173 Ca -0.05 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3h5a h VAL 173 Cb 0.42 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3h5a h VAL 173 CO 0.09 0.31 0.51 0.40 0.02 0.00 0.00 177.57 178.89 3h5a h ILE 174 N 0.47 1.21 -0.79 4.57 2.04 -1.33 0.32 117.51 124.01 3h5a h ILE 174 Ca 0.11 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3h5a h ILE 174 Cb 0.40 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3h5a h ILE 174 CO 0.01 0.21 0.37 0.50 0.00 0.00 0.00 178.15 179.24 3h5a h LYS 175 N 1.08 1.14 -0.25 2.37 1.63 -1.10 0.16 116.57 121.61 3h5a h LYS 175 Ca 0.29 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 3h5a h LYS 175 Cb -0.09 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.33 3h5a h LYS 175 CO -0.06 0.89 -0.26 0.07 -3.45 0.00 0.00 179.45 176.64 3h5a h ARG 176 N 1.12 0.62 -0.13 1.90 0.11 -0.75 -2.70 114.38 114.55 3h5a h ARG 176 Ca 0.27 -0.33 -0.05 0.00 0.10 0.00 0.00 59.98 59.97 3h5a h ARG 176 Cb 0.13 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3h5a h ARG 176 CO -0.03 0.93 -0.16 0.93 0.10 0.00 0.00 179.97 181.73 3h5a h GLU 177 N 0.33 0.21 0.00 0.08 4.39 -0.56 -1.58 114.58 117.45 3h5a h GLU 177 Ca 0.04 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3h5a h GLU 177 Cb 0.82 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3h5a h GLU 177 CO 0.06 0.38 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.00 3h5a h LEU 178 N 0.20 0.00 0.05 1.33 3.38 -0.66 -3.08 115.31 116.54 3h5a h LEU 178 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 3h5a h LEU 178 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3h5a h LEU 178 CO 0.03 0.22 -1.20 -0.07 0.09 0.00 0.00 178.44 177.51 3h5a h LEU 179 N 0.00 0.17 -1.37 1.67 3.38 -0.97 -2.04 115.31 116.15 3h5a h LEU 179 Ca -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3h5a h LEU 179 Cb 0.98 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h5a h LEU 179 CO 0.03 1.16 0.19 0.11 0.09 0.00 0.00 178.44 180.02 3h5a h LYS 180 N 0.03 0.62 0.00 1.13 1.57 -1.38 -2.96 116.57 115.57 3h5a h LYS 180 Ca -0.10 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.42 3h5a h LYS 180 Cb 1.88 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 34.04 3h5a h LYS 180 CO 0.15 0.50 -1.07 0.00 -0.57 0.00 0.00 179.45 178.47 3h5a h ARG 181 N 0.62 0.00 -0.83 3.15 3.08 -1.47 -3.44 114.38 115.49 3h5a h ARG 181 Ca 0.15 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.30 3h5a h ARG 181 Cb 0.10 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.95 3h5a h ARG 181 CO -0.02 0.63 -0.23 1.21 -1.07 0.00 0.00 179.97 180.48 3h5a s ASN 182 N -6.34 -1.26 0.00 7.04 3.84 -0.78 -4.91 114.94 112.53 3h5a s ASN 182 Ca 0.00 0.45 0.19 0.00 0.21 0.00 0.00 52.86 53.71 3h5a s ASN 182 Cb 0.09 1.92 0.59 0.00 -0.55 0.00 0.00 41.25 43.30 3h5a s ASN 182 CO 0.80 -0.23 1.46 -1.54 -2.79 0.00 0.00 177.10 174.79 3h5a n SER 183 N 5.40 2.20 -0.90 -4.21 3.41 -1.13 -3.64 113.62 114.75 3h5a n SER 183 Ca 0.02 -1.84 0.06 0.00 -0.26 0.00 0.00 58.87 56.84 3h5a n SER 183 Cb 0.53 -0.18 0.19 0.00 -0.26 0.00 0.00 64.21 64.49 3h5a n SER 183 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h5a n GLU 184 N 0.68 2.29 -4.32 4.33 1.02 -1.26 -4.92 120.64 118.46 3h5a n GLU 184 Ca 0.16 -1.55 -0.19 0.00 -0.02 0.00 0.00 57.16 55.57 3h5a n GLU 184 Cb 0.40 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 3h5a n GLU 184 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3h5a s ILE 185 N -1.60 1.66 0.09 -3.67 -4.36 -1.24 -4.97 121.20 107.11 3h5a s ILE 185 Ca 0.28 -2.10 0.08 0.00 -0.26 0.00 0.00 60.65 58.66 3h5a s ILE 185 Cb 0.17 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 3h5a s ILE 185 CO 0.16 -0.54 -0.17 -0.94 0.24 0.00 0.00 174.94 173.69 3h5a s SER 186 N -3.10 3.93 -0.03 4.36 1.04 -0.54 -5.02 113.70 114.34 3h5a s SER 186 Ca 0.19 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3h5a s SER 186 Cb -0.02 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.53 3h5a s SER 186 CO 0.06 0.20 0.01 -0.69 0.98 0.00 0.00 173.24 173.80 3h5a s VAL 187 N -1.09 0.10 0.26 5.02 1.01 -1.26 -1.09 120.40 123.36 3h5a s VAL 187 Ca 0.17 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3h5a s VAL 187 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3h5a s VAL 187 CO 0.09 0.15 0.01 -0.44 0.00 0.00 0.00 175.10 174.91 3h5a s SER 188 N 1.27 4.60 0.13 3.32 0.01 -0.65 -4.98 113.70 117.40 3h5a s SER 188 Ca -0.06 -0.62 0.11 0.00 1.31 0.00 0.00 55.95 56.68 3h5a s SER 188 Cb -0.13 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 3h5a s SER 188 CO -0.02 -0.00 -0.26 -1.61 0.41 0.00 0.00 173.24 171.76 3h5a s GLU 189 N -3.68 1.44 -0.06 12.44 2.02 -1.26 -0.77 118.70 128.83 3h5a s GLU 189 Ca 0.31 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 3h5a s GLU 189 Cb -0.07 -1.92 0.04 0.00 0.10 0.00 0.00 34.13 32.28 3h5a s GLU 189 CO 0.20 0.45 0.10 0.42 0.02 0.00 0.00 175.26 176.45 3h5a s ILE 190 N -1.09 -0.17 -1.07 -1.63 1.01 -0.81 -4.95 121.20 112.49 3h5a s ILE 190 Ca 0.15 0.40 -0.18 0.00 0.00 0.00 0.00 60.65 61.02 3h5a s ILE 190 Cb -0.10 -0.21 0.12 0.00 0.01 0.00 0.00 42.46 42.28 3h5a s ILE 190 CO 0.07 0.17 1.35 0.00 0.00 0.00 0.00 174.94 176.53 3h5a s ALA 191 N 2.22 3.41 -0.25 9.38 0.00 -1.26 -2.12 121.76 133.14 3h5a s ALA 191 Ca 0.04 -2.86 -0.10 0.00 0.00 0.00 0.00 51.96 49.04 3h5a s ALA 191 Cb -0.12 -4.24 0.10 0.00 0.00 0.00 0.00 23.12 18.86 3h5a s ALA 191 CO -0.04 -3.09 0.57 -1.17 0.00 0.00 0.00 175.76 172.03 3h5a s LEU 192 N 3.02 -0.85 -0.08 0.00 2.96 -1.15 -4.83 118.68 117.76 3h5a s LEU 192 Ca 0.41 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.62 3h5a s LEU 192 Cb -0.02 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 3h5a s LEU 192 CO -0.05 -0.22 0.02 0.20 -1.32 0.00 0.00 176.35 174.98 3h5a s ASN 193 N 2.39 5.40 -0.76 3.68 0.01 -1.26 -3.31 114.94 121.08 3h5a s ASN 193 Ca -0.06 0.17 -0.26 0.00 -0.71 0.00 0.00 52.86 52.00 3h5a s ASN 193 Cb -0.10 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 40.05 3h5a s ASN 193 CO -0.17 0.37 1.25 -0.63 -1.51 0.00 0.00 177.10 176.40 3h5a s ILE 194 N -0.94 3.86 -0.17 0.60 1.01 -1.26 -4.78 121.20 119.51 3h5a s ILE 194 Ca 0.15 0.12 0.12 0.00 0.00 0.00 0.00 60.65 61.04 3h5a s ILE 194 Cb -0.11 -4.90 -0.23 0.00 0.01 0.00 0.00 42.46 37.23 3h5a s ILE 194 CO 0.04 -1.80 0.16 0.59 0.00 0.00 0.00 174.94 173.94 3h5a n ASN 195 N 9.01 0.69 -4.32 3.58 3.02 -1.26 -4.78 115.26 121.20 3h5a n ASN 195 Ca 0.06 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.42 3h5a n ASN 195 Cb 0.49 0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 39.92 3h5a n ASN 195 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3h5a s ASP 196 N -5.91 2.82 0.38 6.41 1.01 -1.26 -5.02 116.67 115.10 3h5a s ASP 196 Ca -0.14 -0.68 0.20 0.00 0.71 0.00 0.00 52.55 52.64 3h5a s ASP 196 Cb 0.07 -0.18 1.20 0.00 1.01 0.00 0.00 42.92 45.02 3h5a s ASP 196 CO 0.78 0.13 1.67 0.22 0.21 0.00 0.00 175.17 178.18 3h5a h TYR 197 N 4.18 0.76 0.00 4.23 3.20 -2.00 -0.75 116.97 126.59 3h5a h TYR 197 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3h5a h TYR 197 Cb 1.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3h5a h TYR 197 CO 0.58 -0.16 0.00 0.25 -1.64 0.00 0.00 178.16 177.20 3h5a n THR 198 N -4.88 0.80 0.31 1.81 -2.24 -1.26 -2.26 114.28 106.56 3h5a n THR 198 Ca 0.33 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.40 3h5a n THR 198 Cb 1.11 -1.03 0.59 0.00 -2.10 0.00 0.00 70.33 68.90 3h5a n THR 198 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3h5a h ASP 199 N 0.00 0.00 0.62 3.42 3.32 -1.53 -2.69 116.42 119.55 3h5a h ASP 199 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3h5a h ASP 199 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3h5a h ASP 199 CO 0.00 0.00 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.27 3h5a h LEU 200 N 0.00 0.00 -2.16 1.55 3.38 -1.64 -1.70 115.31 114.74 3h5a h LEU 200 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h5a h LEU 200 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3h5a h LEU 200 CO 0.00 0.18 0.11 0.45 0.09 0.00 0.00 178.44 179.27 3h5a h HIS 201 N 0.00 0.00 -0.00 1.13 3.86 -1.72 -1.98 115.15 116.43 3h5a h HIS 201 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h5a h HIS 201 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3h5a h HIS 201 CO 0.00 0.00 -0.09 1.63 0.86 0.00 0.00 177.93 180.33 3h5a n LYS 202 N -4.18 0.48 -3.03 2.45 5.02 -0.64 -4.80 118.16 113.46 3h5a n LYS 202 Ca 0.00 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 3h5a n LYS 202 Cb 0.23 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3h5a n LYS 202 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h5a s VAL 203 N -2.60 5.02 0.99 -0.18 1.01 -0.75 -5.03 120.40 118.86 3h5a s VAL 203 Ca 0.26 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 3h5a s VAL 203 Cb 0.20 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 32.72 3h5a s VAL 203 CO 0.49 0.20 1.08 -2.16 0.00 0.00 0.00 175.10 174.71 3h5a s PRO 204 N 1.15 0.47 0.26 2.72 0.04 -1.26 -5.01 135.00 133.37 3h5a s PRO 204 Ca 0.36 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.08 3h5a s PRO 204 Cb -0.17 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 3h5a s PRO 204 CO 0.16 -2.80 0.78 -2.00 0.04 0.00 0.00 177.00 173.19 3h5a s GLU 205 N -4.77 4.30 0.28 4.56 2.12 -1.26 -5.03 118.70 118.90 3h5a s GLU 205 Ca 0.66 0.95 -0.15 0.00 0.36 0.00 0.00 54.97 56.79 3h5a s GLU 205 Cb -0.21 -2.79 0.01 0.00 0.26 0.00 0.00 34.13 31.40 3h5a s GLU 205 CO 0.59 0.33 0.60 0.00 -0.54 0.00 0.00 175.26 176.24 3h5a s ALA 206 N -1.61 -0.58 0.43 6.30 0.00 -1.26 -5.03 121.76 120.01 3h5a s ALA 206 Ca 0.46 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.81 3h5a s ALA 206 Cb -0.16 0.96 0.92 0.00 0.00 0.00 0.00 23.12 24.84 3h5a s ALA 206 CO 0.21 -0.93 2.06 -0.44 0.00 0.00 0.00 175.76 176.66 3h5a h ASP 207 N 2.13 0.37 -4.36 0.00 3.32 -1.69 -3.44 116.42 112.75 3h5a h ASP 207 Ca -0.24 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3h5a h ASP 207 Cb 1.25 -0.09 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 3h5a h ASP 207 CO 0.32 0.29 0.37 -0.51 -1.72 0.00 0.00 179.24 177.98 3h5a s ILE 208 N -5.36 0.00 -0.14 0.35 2.07 -1.25 -4.55 121.20 112.32 3h5a s ILE 208 Ca -0.07 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.10 3h5a s ILE 208 Cb 0.17 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 3h5a s ILE 208 CO 0.72 0.00 0.07 0.26 -1.91 0.00 0.00 174.94 174.08 3h5a s TRP 209 N -0.90 3.34 -0.36 3.50 0.52 -0.67 -2.44 118.94 121.93 3h5a s TRP 209 Ca -0.05 0.24 -0.14 0.00 0.02 0.00 0.00 56.10 56.18 3h5a s TRP 209 Cb -0.01 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.32 3h5a s TRP 209 CO 0.04 0.39 0.27 0.08 0.02 0.00 0.00 176.95 177.75 3h5a s VAL 210 N -0.30 5.27 -0.37 4.03 1.01 0.44 -0.55 120.40 129.94 3h5a s VAL 210 Ca 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3h5a s VAL 210 Cb -0.12 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.56 3h5a s VAL 210 CO 0.01 -0.09 0.13 -0.69 0.00 0.00 0.00 175.10 174.46 3h5a s VAL 211 N 1.74 3.29 0.00 2.92 1.01 0.12 -0.39 120.40 129.08 3h5a s VAL 211 Ca 0.06 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.32 3h5a s VAL 211 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3h5a s VAL 211 CO 0.11 -0.45 0.00 -1.54 0.00 0.00 0.00 175.10 173.22 3h5a n SER 212 N 4.64 2.99 -4.67 3.32 3.41 -1.20 -2.29 113.62 119.82 3h5a n SER 212 Ca -0.07 -0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 3h5a n SER 212 Cb 0.42 0.63 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 3h5a n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5a n ALA 213 N -0.92 0.95 0.59 7.33 0.00 -1.23 -4.67 120.51 122.56 3h5a n ALA 213 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 53.44 53.78 3h5a n ALA 213 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.13 3h5a n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h5a n ASP 214 N 0.29 0.84 -4.28 0.00 5.75 -1.26 -4.92 116.55 112.98 3h5a n ASP 214 Ca 0.08 -0.65 -0.32 0.00 -0.01 0.00 0.00 54.79 53.88 3h5a n ASP 214 Cb 0.39 1.23 -0.16 0.00 -1.03 0.00 0.00 41.12 41.55 3h5a n ASP 214 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h5a s HIS 215 N -2.81 2.66 0.58 2.11 5.04 -1.26 -3.42 115.29 118.20 3h5a s HIS 215 Ca 0.03 -0.91 -0.15 0.00 -1.54 0.00 0.00 55.06 52.49 3h5a s HIS 215 Cb 0.13 -1.77 -0.04 0.00 0.04 0.00 0.00 32.58 30.93 3h5a s HIS 215 CO 0.72 -0.35 1.03 -2.14 -2.34 0.00 0.00 174.74 171.66 3h5a s PRO 216 N 0.37 3.49 0.52 2.88 0.02 -1.26 -4.85 135.00 136.17 3h5a s PRO 216 Ca -0.15 1.05 0.35 0.00 0.02 0.00 0.00 61.00 62.26 3h5a s PRO 216 Cb -0.17 -2.06 1.19 0.00 0.02 0.00 0.00 34.50 33.47 3h5a s PRO 216 CO 0.07 -0.66 1.27 1.97 -0.33 0.00 0.00 177.00 179.33 3h5a n PHE 217 N -2.11 0.00 -0.84 6.54 -1.74 -1.22 0.03 117.46 118.12 3h5a n PHE 217 Ca 0.08 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.05 3h5a n PHE 217 Cb 0.53 -0.34 0.32 0.00 1.52 0.00 0.00 39.48 41.51 3h5a n PHE 217 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 3h5a n ASN 218 N -3.38 4.62 -0.16 5.98 6.94 -1.26 -4.47 115.26 123.53 3h5a n ASN 218 Ca 0.31 -2.82 -0.02 0.00 -0.02 0.00 0.00 54.58 52.03 3h5a n ASN 218 Cb 1.59 -0.58 0.07 0.00 -2.36 0.00 0.00 39.78 38.51 3h5a n ASN 218 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3h5a h LEU 219 N 2.97 0.12 -1.12 -4.53 5.85 -0.73 -2.62 115.31 115.26 3h5a h LEU 219 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3h5a h LEU 219 Cb 1.58 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.63 3h5a h LEU 219 CO 0.30 0.09 0.60 -0.29 -0.34 0.00 0.00 178.44 178.81 3h5a h ILE 220 N 0.32 1.17 -0.27 4.05 6.09 -1.81 -0.08 117.51 126.97 3h5a h ILE 220 Ca 0.25 -0.40 0.04 0.00 -1.37 0.00 0.00 64.86 63.39 3h5a h ILE 220 Cb 0.30 -0.09 -0.04 0.00 0.47 0.00 0.00 36.82 37.46 3h5a h ILE 220 CO -0.28 0.21 0.01 0.78 -3.07 0.00 0.00 178.15 175.81 3h5a h ASN 221 N 1.16 -0.07 0.59 2.19 -0.26 -1.79 0.21 115.58 117.60 3h5a h ASN 221 Ca 0.36 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 56.13 3h5a h ASN 221 Cb -0.01 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3h5a h ASN 221 CO -0.10 -0.00 -0.42 -0.50 -1.06 0.00 0.00 177.43 175.34 3h5a h TRP 222 N 0.10 -1.12 -0.83 1.19 6.55 -1.25 -1.74 115.95 118.85 3h5a h TRP 222 Ca 0.13 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.06 3h5a h TRP 222 Cb 0.16 0.41 -0.06 0.00 -0.86 0.00 0.00 29.16 28.81 3h5a h TRP 222 CO -0.20 -0.61 0.54 0.28 -1.05 0.00 0.00 178.44 177.41 3h5a h VAL 223 N -0.97 0.95 -0.10 1.49 2.07 -0.82 -0.10 116.25 118.76 3h5a h VAL 223 Ca -0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3h5a h VAL 223 Cb 0.81 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3h5a h VAL 223 CO 0.03 0.14 0.00 -1.13 0.02 0.00 0.00 177.57 176.64 3h5a h ASN 224 N 0.78 0.17 0.33 0.57 -0.73 -0.38 -0.19 115.58 116.14 3h5a h ASN 224 Ca 0.39 -0.31 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 3h5a h ASN 224 Cb 0.45 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.99 3h5a h ASN 224 CO -0.16 0.44 -0.20 0.11 -0.37 0.00 0.00 177.43 177.25 3h5a h LYS 225 N -0.10 -0.49 -0.82 6.67 1.57 -0.47 -1.07 116.57 121.86 3h5a h LYS 225 Ca 0.03 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3h5a h LYS 225 Cb 0.35 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3h5a h LYS 225 CO 0.01 -0.33 0.52 -0.92 -0.57 0.00 0.00 179.45 178.16 3h5a h TYR 226 N -0.51 0.97 -0.16 -1.35 3.20 -1.05 -1.24 116.97 116.83 3h5a h TYR 226 Ca -0.04 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 3h5a h TYR 226 Cb 0.42 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3h5a h TYR 226 CO -0.09 0.54 -0.69 0.00 -1.64 0.00 0.00 178.16 176.28 3h5a h VAL 228 N 0.47 0.79 -0.18 0.00 2.07 -0.87 0.53 116.25 119.06 3h5a h VAL 228 Ca -0.03 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 3h5a h VAL 228 Cb 1.29 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3h5a h VAL 228 CO 0.13 0.02 -0.55 0.03 0.02 0.00 0.00 177.57 177.23 3h5a h ARG 229 N 0.10 0.54 -0.37 1.57 3.08 -0.93 -3.08 114.38 115.29 3h5a h ARG 229 Ca 0.14 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3h5a h ARG 229 Cb 0.18 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3h5a h ARG 229 CO -0.23 0.95 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 3h5a n ALA 230 N -2.52 2.45 -3.53 0.04 0.00 0.74 -4.96 120.51 112.73 3h5a n ALA 230 Ca -0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.43 3h5a n ALA 230 Cb 0.60 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 19.14 3h5a n ALA 230 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h5a n ASN 231 N 0.88 -2.19 -3.99 0.00 5.15 -0.39 -4.99 115.26 109.73 3h5a n ASN 231 Ca 0.17 -0.68 -0.31 0.00 -0.60 0.00 0.00 54.58 53.17 3h5a n ASN 231 Cb 0.43 -4.78 -0.16 0.00 -0.53 0.00 0.00 39.78 34.75 3h5a n ASN 231 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3h5a s GLN 232 N -5.65 1.94 0.50 1.20 2.00 0.04 -4.93 119.66 114.76 3h5a s GLN 232 Ca 0.06 -0.96 -0.23 0.00 -2.00 0.00 0.00 55.36 52.24 3h5a s GLN 232 Cb -0.03 -2.53 -0.06 0.00 0.80 0.00 0.00 33.01 31.18 3h5a s GLN 232 CO 0.76 -0.50 1.30 -2.14 -0.50 0.00 0.00 175.29 174.21 3h5a s PRO 233 N 1.35 3.47 0.17 1.67 0.02 -1.26 -4.70 135.00 135.72 3h5a s PRO 233 Ca -0.04 2.11 -0.09 0.00 0.02 0.00 0.00 61.00 63.01 3h5a s PRO 233 Cb -0.18 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.94 3h5a s PRO 233 CO -0.07 -0.89 0.29 1.52 -0.33 0.00 0.00 177.00 177.51 3h5a s TYR 234 N -1.36 0.45 -0.00 6.54 1.13 -1.08 -1.67 117.35 121.36 3h5a s TYR 234 Ca 0.66 -0.80 -0.02 0.00 -1.41 0.00 0.00 57.07 55.50 3h5a s TYR 234 Cb -0.37 -0.07 -0.00 0.00 -1.10 0.00 0.00 41.96 40.41 3h5a s TYR 234 CO 0.45 -0.73 0.04 -1.50 -2.51 0.00 0.00 175.55 171.30 3h5a s ILE 235 N -3.98 0.05 0.09 -3.49 2.07 0.29 -0.56 121.20 115.67 3h5a s ILE 235 Ca 0.19 -0.39 0.09 0.00 -1.41 0.00 0.00 60.65 59.13 3h5a s ILE 235 Cb 0.03 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 3h5a s ILE 235 CO 0.01 -0.22 -0.21 0.21 -1.91 0.00 0.00 174.94 172.83 3h5a s ASN 236 N -0.65 3.65 -0.06 4.50 3.84 -1.11 -0.71 114.94 124.40 3h5a s ASN 236 Ca -0.07 -0.58 -0.25 0.00 0.21 0.00 0.00 52.86 52.17 3h5a s ASN 236 Cb -0.05 -0.45 0.05 0.00 -0.55 0.00 0.00 41.25 40.26 3h5a s ASN 236 CO -0.00 0.21 0.56 0.00 -2.79 0.00 0.00 177.10 175.08 3h5a s ALA 237 N -1.03 -1.45 0.00 1.71 0.00 -0.97 -0.11 121.76 119.92 3h5a s ALA 237 Ca 0.15 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3h5a s ALA 237 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3h5a s ALA 237 CO 0.07 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3h5a n GLY 238 N 1.27 -0.76 3.09 0.00 0.00 -0.02 -4.26 105.19 104.51 3h5a n GLY 238 Ca -0.19 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3h5a n GLY 238 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5a s TYR 239 N -3.00 0.03 -0.30 1.61 1.13 -1.26 -0.14 117.35 115.42 3h5a s TYR 239 Ca 0.00 -0.10 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 3h5a s TYR 239 Cb 0.00 -0.05 0.07 0.00 -1.10 0.00 0.00 41.96 40.89 3h5a s TYR 239 CO 0.00 -0.26 -0.01 0.08 -2.51 0.00 0.00 175.55 172.85 3h5a s VAL 240 N -1.24 2.48 0.00 -3.49 1.01 0.33 -4.93 120.40 114.57 3h5a s VAL 240 Ca -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.03 3h5a s VAL 240 Cb -0.07 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3h5a s VAL 240 CO 0.01 -0.26 0.00 0.59 0.00 0.00 0.00 175.10 175.44 3h5a n ASN 241 N 4.44 0.00 -1.21 3.32 3.02 -1.26 -1.17 115.26 122.39 3h5a n ASN 241 Ca -0.08 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.55 3h5a n ASN 241 Cb 0.42 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.86 3h5a n ASN 241 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3h5a n ASP 242 N 4.58 3.54 -4.60 6.41 5.75 -1.25 -4.55 116.55 126.43 3h5a n ASP 242 Ca 0.00 -2.21 -0.34 0.00 -0.01 0.00 0.00 54.79 52.23 3h5a n ASP 242 Cb 0.00 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 39.53 3h5a n ASP 242 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3h5a s ILE 243 N -1.56 4.52 -0.20 2.12 1.01 -0.32 -3.29 121.20 123.47 3h5a s ILE 243 Ca 0.40 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 3h5a s ILE 243 Cb 0.24 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3h5a s ILE 243 CO 0.22 0.48 0.34 0.00 0.00 0.00 0.00 174.94 175.98 3h5a s ALA 244 N 0.30 3.57 -0.06 9.38 0.00 -0.29 -0.51 121.76 134.16 3h5a s ALA 244 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3h5a s ALA 244 Cb -0.13 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 3h5a s ALA 244 CO 0.01 -0.23 -0.14 0.08 0.00 0.00 0.00 175.76 175.48 3h5a s VAL 245 N 1.16 3.07 0.04 0.00 1.01 0.80 0.05 120.40 126.53 3h5a s VAL 245 Ca 0.16 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3h5a s VAL 245 Cb -0.14 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3h5a s VAL 245 CO 0.07 0.59 0.25 0.72 0.00 0.00 0.00 175.10 176.72 3h5a s PHE 246 N -0.64 -0.02 0.00 5.22 -0.71 -0.53 -0.84 117.98 120.46 3h5a s PHE 246 Ca 0.09 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 3h5a s PHE 246 Cb -0.11 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 3h5a s PHE 246 CO 0.01 -0.47 0.00 0.41 -1.34 0.00 0.00 175.22 173.83 3h5a n GLY 247 N 0.60 1.97 3.77 1.99 0.00 0.85 -0.64 105.19 113.72 3h5a n GLY 247 Ca -0.19 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 3h5a n GLY 247 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5a s PRO 248 N -2.49 2.64 -0.40 1.61 0.04 -1.14 -4.44 135.00 130.83 3h5a s PRO 248 Ca 0.00 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.19 3h5a s PRO 248 Cb 0.00 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3h5a s PRO 248 CO 0.00 -1.36 0.27 -1.17 0.04 0.00 0.00 177.00 174.78 3h5a s LEU 249 N -5.23 4.99 -0.25 -3.56 2.96 -0.19 -2.73 118.68 114.66 3h5a s LEU 249 Ca 0.64 -0.92 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 3h5a s LEU 249 Cb -0.19 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 3h5a s LEU 249 CO 0.47 -0.43 0.78 -0.47 -1.32 0.00 0.00 176.35 175.38 3h5a s TYR 250 N 1.64 3.29 -0.28 5.38 5.04 0.28 -4.39 117.35 128.31 3h5a s TYR 250 Ca 0.04 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 3h5a s TYR 250 Cb -0.19 -3.03 0.05 0.00 0.35 0.00 0.00 41.96 39.14 3h5a s TYR 250 CO 0.09 -0.41 -0.05 0.08 -1.34 0.00 0.00 175.55 173.92 3h5a s VAL 251 N 2.79 2.66 0.05 3.14 1.01 -1.26 -2.63 120.40 126.15 3h5a s VAL 251 Ca 0.33 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 3h5a s VAL 251 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3h5a s VAL 251 CO 0.08 -0.05 0.92 -2.65 0.00 0.00 0.00 175.10 173.40 3h5a n PRO 252 N 4.55 -0.12 -0.36 2.72 -0.02 -1.26 -0.63 135.00 139.87 3h5a n PRO 252 Ca -0.14 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.23 3h5a n PRO 252 Cb 0.43 -1.35 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 3h5a n PRO 252 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h5a h GLY 253 N 0.00 1.39 -0.69 -1.23 0.00 -1.98 -3.39 103.07 97.18 3h5a h GLY 253 Ca 0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3h5a h GLY 253 CO -0.26 0.47 -0.32 0.58 0.00 0.00 0.00 176.54 177.01 3h5a n LYS 254 N -4.43 1.30 -3.69 4.80 -0.00 0.20 -5.03 118.16 111.31 3h5a n LYS 254 Ca 0.12 -2.82 -0.09 0.00 -0.00 0.00 0.00 58.31 55.52 3h5a n LYS 254 Cb 0.04 -1.43 -0.02 0.00 -0.00 0.00 0.00 35.03 33.62 3h5a n LYS 254 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3h5a s THR 255 N -2.76 0.00 0.68 0.58 -1.32 -1.00 -4.91 115.64 106.92 3h5a s THR 255 Ca 0.33 -0.60 -0.11 0.00 -1.21 0.00 0.00 61.69 60.11 3h5a s THR 255 Cb 0.32 -1.61 -0.00 0.00 -1.51 0.00 0.00 72.50 69.69 3h5a s THR 255 CO -0.03 0.00 1.07 -0.83 -2.21 0.00 0.00 174.62 172.62 3h5a s GLY 256 N -2.85 1.64 0.51 6.08 0.00 -1.25 -4.66 107.32 106.78 3h5a s GLY 256 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.61 3h5a s GLY 256 CO -0.01 0.10 0.30 0.00 0.00 0.00 0.00 173.10 173.49 3h5a h TYR 258 N 0.98 0.00 -0.01 0.00 3.20 -1.92 -2.44 116.97 116.77 3h5a h TYR 258 Ca -0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3h5a h TYR 258 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3h5a h TYR 258 CO 0.98 0.00 -0.17 -1.91 -1.64 0.00 0.00 178.16 175.41 3h5a n GLU 259 N -3.04 1.57 0.21 1.82 2.13 -1.26 -4.54 120.64 117.54 3h5a n GLU 259 Ca -0.03 -0.86 0.16 0.00 0.66 0.00 0.00 57.16 57.08 3h5a n GLU 259 Cb 0.15 -1.18 0.62 0.00 0.27 0.00 0.00 31.44 31.30 3h5a n GLU 259 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h5a n GLN 261 N -3.09 0.00 -4.23 0.00 1.13 -1.26 -4.47 117.38 105.47 3h5a n GLN 261 Ca 0.04 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.81 3h5a n GLN 261 Cb 0.67 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.93 3h5a n GLN 261 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3h5a s LYS 262 N 1.63 2.16 -0.29 -1.09 -2.85 -1.26 -5.08 119.74 112.96 3h5a s LYS 262 Ca 0.00 -1.06 -0.19 0.00 -1.00 0.00 0.00 55.97 53.72 3h5a s LYS 262 Cb 0.00 -2.30 0.14 0.00 -2.06 0.00 0.00 37.83 33.61 3h5a s LYS 262 CO 0.00 0.49 0.99 0.08 0.10 0.00 0.00 175.35 177.01 3h5a s VAL 263 N -1.34 0.00 0.00 1.79 1.01 -1.26 -5.03 120.40 115.57 3h5a s VAL 263 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3h5a s VAL 263 Cb -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3h5a s VAL 263 CO 0.15 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.77 3h5a n VAL 264 N 3.28 0.00 -0.68 2.92 0.31 -1.26 -4.39 118.33 118.50 3h5a n VAL 264 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3h5a n VAL 264 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3h5a n VAL 264 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5a n ALA 265 N 0.00 0.00 0.00 3.52 0.00 -1.26 -4.55 120.51 118.22 3h5a n ALA 265 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h5a n ALA 265 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3h5a n ALA 265 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h5a n ASP 266 N -0.00 0.00 -4.68 0.00 -0.08 -1.26 -5.05 116.55 105.47 3h5a n ASP 266 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 3h5a n ASP 266 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 3h5a n ASP 266 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3h5a n LEU 267 N 0.00 4.76 -4.22 -2.67 4.77 -1.26 -5.05 117.00 113.34 3h5a n LEU 267 Ca 0.00 0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 56.62 3h5a n LEU 267 Cb 0.00 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 39.46 3h5a n LEU 267 CO 0.00 -1.22 -0.50 -0.31 -1.33 0.00 0.00 177.39 174.02 3h5a s TYR 268 N -1.39 1.63 0.00 -1.77 2.02 -1.26 -5.16 117.35 111.42 3h5a s TYR 268 Ca 0.75 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 3h5a s TYR 268 Cb -0.42 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 3h5a s TYR 268 CO 0.47 0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 3h5a n GLY 269 N 1.91 1.75 3.88 0.71 0.00 -1.26 -5.10 105.19 107.07 3h5a n GLY 269 Ca -0.17 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 3h5a n GLY 269 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h5a s SER 270 N -1.00 6.51 0.00 1.61 0.15 -1.26 -4.97 113.70 114.74 3h5a s SER 270 Ca 0.00 1.11 0.26 0.00 0.70 0.00 0.00 55.95 58.02 3h5a s SER 270 Cb 0.00 -2.31 0.65 0.00 -1.71 0.00 0.00 66.02 62.65 3h5a s SER 270 CO 0.00 -0.40 1.51 -0.62 1.20 0.00 0.00 173.24 174.93 3h5a n GLU 271 N -1.31 0.13 -3.44 5.44 -0.58 -1.26 -4.60 120.64 115.01 3h5a n GLU 271 Ca 0.02 -0.07 -0.37 0.00 -0.42 0.00 0.00 57.16 56.32 3h5a n GLU 271 Cb 0.54 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3h5a n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3h5a s LYS 272 N -2.92 4.27 0.14 3.49 1.02 -1.26 -5.00 119.74 119.49 3h5a s LYS 272 Ca 0.14 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.22 3h5a s LYS 272 Cb 0.18 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 3h5a s LYS 272 CO 0.65 0.17 1.60 0.93 -0.92 0.00 0.00 175.35 177.78 3h5a h GLU 273 N 6.81 0.84 0.00 1.68 5.08 -1.99 0.37 114.58 127.36 3h5a h GLU 273 Ca -0.40 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3h5a h GLU 273 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3h5a h GLU 273 CO 0.75 0.88 0.00 -2.95 -1.00 0.00 0.00 179.01 176.69 3h5a h ASN 274 N 0.69 0.00 0.14 1.42 7.08 -1.97 -1.60 115.58 121.35 3h5a h ASN 274 Ca 0.14 0.00 -0.36 0.00 -3.08 0.00 0.00 56.30 53.00 3h5a h ASN 274 Cb 0.49 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.69 3h5a h ASN 274 CO 0.02 0.00 -2.12 -0.38 -2.08 0.00 0.00 177.43 172.87 3h5a n ILE 275 N -2.67 1.63 -0.22 6.14 5.41 -0.98 -3.85 119.36 124.82 3h5a n ILE 275 Ca 0.01 -0.68 0.01 0.00 1.00 0.00 0.00 62.75 63.09 3h5a n ILE 275 Cb 0.25 -1.37 0.13 0.00 -0.71 0.00 0.00 39.64 37.93 3h5a n ILE 275 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 3h5a h ASP 276 N 0.03 0.29 -0.61 4.38 3.58 -0.45 -0.12 116.42 123.52 3h5a h ASP 276 Ca -0.46 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.07 3h5a h ASP 276 Cb 2.02 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 43.09 3h5a h ASP 276 CO 0.03 0.16 0.38 0.45 -2.88 0.00 0.00 179.24 177.38 3h5a h HIS 277 N 0.46 0.78 0.40 0.28 3.86 -1.48 0.57 115.15 120.01 3h5a h HIS 277 Ca 0.33 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3h5a h HIS 277 Cb 0.42 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3h5a h HIS 277 CO -0.15 0.52 -0.36 0.87 0.86 0.00 0.00 177.93 179.66 3h5a h LYS 278 N 0.82 -0.74 -0.44 2.45 1.57 -1.55 -1.06 116.57 117.61 3h5a h LYS 278 Ca 0.22 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3h5a h LYS 278 Cb -0.05 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3h5a h LYS 278 CO -0.04 -0.50 0.22 -0.84 -0.57 0.00 0.00 179.45 177.72 3h5a h ILE 279 N -0.77 1.15 -0.90 1.86 -0.00 -0.52 -1.90 117.51 116.43 3h5a h ILE 279 Ca -0.03 -0.41 0.04 0.00 -0.00 0.00 0.00 64.86 64.46 3h5a h ILE 279 Cb 0.68 0.57 -0.06 0.00 -0.00 0.00 0.00 36.82 38.02 3h5a h ILE 279 CO -0.04 0.17 0.58 0.50 -0.00 0.00 0.00 178.15 179.35 3h5a h LYS 280 N 0.62 1.07 0.04 0.16 1.63 0.51 -1.01 116.57 119.58 3h5a h LYS 280 Ca 0.16 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3h5a h LYS 280 Cb 0.05 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3h5a h LYS 280 CO -0.02 0.71 -0.02 1.25 -3.45 0.00 0.00 179.45 177.91 3h5a h LEU 281 N 1.10 -0.04 -0.75 5.20 5.85 -0.54 -2.63 115.31 123.50 3h5a h LEU 281 Ca 0.37 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.71 3h5a h LEU 281 Cb 0.05 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 3h5a h LEU 281 CO -0.13 0.52 0.28 0.40 -0.34 0.00 0.00 178.44 179.17 3h5a h ILE 282 N -0.63 0.64 0.00 4.05 2.04 -1.20 -1.11 117.51 121.29 3h5a h ILE 282 Ca -0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3h5a h ILE 282 Cb 0.57 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3h5a h ILE 282 CO 0.01 0.08 -0.08 0.78 0.00 0.00 0.00 178.15 178.93 3h5a h ASN 283 N 0.42 0.00 1.61 1.72 2.35 -1.19 -2.97 115.58 117.52 3h5a h ASN 283 Ca 0.41 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.14 3h5a h ASN 283 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 3h5a h ASN 283 CO -0.42 0.08 -0.10 0.77 -1.65 0.00 0.00 177.43 176.12 3h5a h SER 284 N 0.00 0.00 -0.03 5.81 4.64 -0.81 -3.03 113.55 120.14 3h5a h SER 284 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h5a h SER 284 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3h5a h SER 284 CO 0.01 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 3h5a n ARG 285 N -3.15 1.45 -2.34 4.77 1.74 -1.12 -4.95 116.66 113.06 3h5a n ARG 285 Ca 0.03 -0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 56.03 3h5a n ARG 285 Cb 0.50 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 3h5a n ARG 285 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3h5a s PHE 286 N -1.98 3.38 -0.03 -1.55 5.36 -1.15 -5.04 117.98 116.98 3h5a s PHE 286 Ca 0.40 1.22 0.03 0.00 -0.96 0.00 0.00 56.93 57.62 3h5a s PHE 286 Cb 0.20 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 3h5a s PHE 286 CO 0.33 -1.58 -0.11 0.15 -1.46 0.00 0.00 175.22 172.56 3h5a s LYS 287 N 0.89 1.14 0.42 10.12 1.02 -1.26 -5.13 119.74 126.94 3h5a s LYS 287 Ca 0.60 -0.37 -0.25 0.00 0.02 0.00 0.00 55.97 55.97 3h5a s LYS 287 Cb -0.32 -1.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.87 3h5a s LYS 287 CO 0.30 0.14 1.22 -1.25 -0.92 0.00 0.00 175.35 174.84 3h5a s PRO 288 N 0.16 3.95 -0.86 -1.68 0.04 -1.26 -4.98 135.00 130.37 3h5a s PRO 288 Ca -0.03 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 3h5a s PRO 288 Cb -0.09 -2.65 0.13 0.00 0.04 0.00 0.00 34.50 31.93 3h5a s PRO 288 CO 0.01 -0.44 1.03 0.00 0.04 0.00 0.00 177.00 177.64 3h5a s ALA 289 N -1.38 3.43 0.17 8.56 0.00 -1.26 -5.04 121.76 126.25 3h5a s ALA 289 Ca 0.58 -2.69 0.05 0.00 0.00 0.00 0.00 51.96 49.91 3h5a s ALA 289 Cb -0.33 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 3h5a s ALA 289 CO 0.42 -2.82 0.16 0.95 0.00 0.00 0.00 175.76 174.46 3h5a s THR 290 N 2.54 4.57 -0.24 0.00 -4.23 -1.26 -3.81 115.64 113.21 3h5a s THR 290 Ca 0.28 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3h5a s THR 290 Cb -0.08 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.48 3h5a s THR 290 CO -0.06 -0.14 0.05 0.12 -0.54 0.00 0.00 174.62 174.05 3h5a s PHE 291 N -1.80 1.45 0.32 3.99 5.36 -1.26 -5.05 117.98 120.99 3h5a s PHE 291 Ca 0.32 -1.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.03 3h5a s PHE 291 Cb -0.10 -1.35 0.85 0.00 -0.34 0.00 0.00 43.02 42.08 3h5a s PHE 291 CO 0.24 -0.74 1.58 0.00 -1.46 0.00 0.00 175.22 174.84 3h5a h ALA 292 N 8.15 1.34 -0.58 11.12 0.00 -1.96 0.21 119.26 137.54 3h5a h ALA 292 Ca -0.16 0.33 0.17 0.00 0.00 0.00 0.00 54.91 55.25 3h5a h ALA 292 Cb 1.07 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3h5a h ALA 292 CO 0.40 -0.63 0.44 -1.35 0.00 0.00 0.00 179.25 178.11 3h5a h PRO 293 N 0.02 0.00 0.36 0.00 0.11 -1.96 -2.41 132.00 128.12 3h5a h PRO 293 Ca 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.73 3h5a h PRO 293 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3h5a h PRO 293 CO -0.89 0.00 -0.17 0.28 -0.21 0.00 0.00 178.00 177.01 3h5a h VAL 294 N 0.00 0.52 -0.37 3.15 2.07 -0.95 -2.98 116.25 117.69 3h5a h VAL 294 Ca 0.28 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.19 3h5a h VAL 294 Cb 1.15 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3h5a h VAL 294 CO -0.00 0.10 -0.18 0.59 0.02 0.00 0.00 177.57 178.10 3h5a n ASN 295 N -5.14 -0.31 -0.28 0.57 5.03 -1.01 -1.03 115.26 113.09 3h5a n ASN 295 Ca -0.09 0.65 -0.04 0.00 0.87 0.00 0.00 54.58 55.97 3h5a n ASN 295 Cb 0.28 -0.12 0.07 0.00 -1.02 0.00 0.00 39.78 38.99 3h5a n ASN 295 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3h5a h ASN 296 N 0.00 0.89 -0.01 6.41 2.35 -1.41 -0.27 115.58 123.54 3h5a h ASN 296 Ca 0.10 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3h5a h ASN 296 Cb 0.19 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3h5a h ASN 296 CO -0.36 0.65 0.00 0.58 -1.65 0.00 0.00 177.43 176.65 3h5a h VAL 297 N 1.05 1.18 -0.08 2.81 2.07 -0.93 0.40 116.25 122.76 3h5a h VAL 297 Ca 0.29 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3h5a h VAL 297 Cb -0.12 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3h5a h VAL 297 CO -0.06 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 177.62 3h5a h ALA 298 N 0.78 0.02 -0.76 1.67 0.00 -1.32 -1.46 119.26 118.18 3h5a h ALA 298 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3h5a h ALA 298 Cb 0.23 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3h5a h ALA 298 CO 0.00 -0.52 0.45 0.00 0.00 0.00 0.00 179.25 179.18 3h5a h ALA 299 N 1.02 1.03 -0.06 0.00 0.00 -0.94 0.22 119.26 120.53 3h5a h ALA 299 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h5a h ALA 299 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h5a h ALA 299 CO -0.12 0.16 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 3h5a h ALA 300 N 1.37 0.09 -0.42 0.00 0.00 -0.60 -1.26 119.26 118.44 3h5a h ALA 300 Ca 0.33 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h5a h ALA 300 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3h5a h ALA 300 CO -0.18 -0.07 0.13 -0.07 0.00 0.00 0.00 179.25 179.06 3h5a h LEU 301 N -0.32 0.56 -0.11 0.00 3.38 -1.20 -0.71 115.31 116.91 3h5a h LEU 301 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3h5a h LEU 301 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h5a h LEU 301 CO 0.02 0.54 0.06 0.00 0.09 0.00 0.00 178.44 179.16 3h5a h ALA 303 N 0.98 1.20 -0.64 0.00 0.00 -0.86 -1.80 119.26 118.14 3h5a h ALA 303 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3h5a h ALA 303 Cb 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3h5a h ALA 303 CO -0.01 0.65 0.38 0.00 0.00 0.00 0.00 179.25 180.27 3h5a h ALA 304 N 1.32 0.84 -0.34 0.00 0.00 -0.77 0.11 119.26 120.42 3h5a h ALA 304 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3h5a h ALA 304 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h5a h ALA 304 CO -0.07 0.10 -0.25 -0.44 0.00 0.00 0.00 179.25 178.59 3h5a h ASP 305 N 0.73 0.70 -0.74 0.00 3.32 -0.67 -2.12 116.42 117.63 3h5a h ASP 305 Ca 0.27 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3h5a h ASP 305 Cb 0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3h5a h ASP 305 CO -0.13 0.92 0.27 0.58 -1.72 0.00 0.00 179.24 179.17 3h5a h VAL 306 N 0.59 1.26 -0.46 -1.35 2.07 -0.54 0.55 116.25 118.37 3h5a h VAL 306 Ca 0.08 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3h5a h VAL 306 Cb 0.74 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3h5a h VAL 306 CO 0.06 0.34 0.11 0.40 0.02 0.00 0.00 177.57 178.50 3h5a h ILE 307 N 1.10 1.24 -0.59 4.57 2.04 -0.62 -2.07 117.51 123.17 3h5a h ILE 307 Ca 0.25 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 3h5a h ILE 307 Cb 0.25 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3h5a h ILE 307 CO -0.02 0.29 -0.03 0.11 0.00 0.00 0.00 178.15 178.51 3h5a h LYS 308 N 0.61 1.07 0.15 2.37 1.57 -1.21 -1.35 116.57 119.79 3h5a h LYS 308 Ca 0.14 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3h5a h LYS 308 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3h5a h LYS 308 CO 0.00 1.06 -0.07 0.35 -0.57 0.00 0.00 179.45 180.22 3h5a h PHE 309 N 0.96 -0.18 -0.02 -1.35 3.57 -0.66 -1.10 116.94 118.15 3h5a h PHE 309 Ca 0.17 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3h5a h PHE 309 Cb 0.59 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 3h5a h PHE 309 CO 0.04 -0.07 -0.00 0.82 -2.23 0.00 0.00 178.31 176.87 3h5a h ILE 310 N -0.25 1.27 0.00 1.41 2.04 -1.42 -3.09 117.51 117.47 3h5a h ILE 310 Ca -0.02 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3h5a h ILE 310 Cb 0.19 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3h5a h ILE 310 CO 0.03 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.01 3h5a n GLY 311 N -0.18 -0.71 2.50 5.37 0.00 -0.51 -4.84 105.19 106.83 3h5a n GLY 311 Ca -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3h5a n GLY 311 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h5a n LYS 312 N -1.15 -2.54 -0.00 1.61 4.76 -0.42 -4.72 118.16 115.70 3h5a n LYS 312 Ca 0.11 0.37 0.09 0.00 -2.87 0.00 0.00 58.31 56.00 3h5a n LYS 312 Cb 0.10 -4.93 -0.12 0.00 -1.84 0.00 0.00 35.03 28.24 3h5a n LYS 312 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3h5a n TYR 313 N -3.08 0.00 -3.56 2.13 4.11 -1.24 -5.02 117.16 110.50 3h5a n TYR 313 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.69 3h5a n TYR 313 Cb 0.57 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.34 39.66 3h5a n TYR 313 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3h5a s SER 314 N -3.34 -0.40 -0.05 9.48 0.15 -1.26 -4.82 113.70 113.46 3h5a s SER 314 Ca 0.00 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 3h5a s SER 314 Cb 0.12 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 3h5a s SER 314 CO 0.73 -0.81 1.54 -0.70 1.20 0.00 0.00 173.24 175.20 3h5a s GLU 315 N -3.10 4.21 0.47 5.44 2.12 -1.26 -4.66 118.70 121.92 3h5a s GLU 315 Ca -0.02 2.08 -0.24 0.00 0.36 0.00 0.00 54.97 57.15 3h5a s GLU 315 Cb 0.00 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.49 3h5a s GLU 315 CO -0.07 -0.76 1.35 -2.14 -0.54 0.00 0.00 175.26 173.10 3h5a s PRO 316 N 3.47 3.59 0.39 4.30 0.02 -1.26 -4.89 135.00 140.62 3h5a s PRO 316 Ca 0.69 2.24 0.11 0.00 0.02 0.00 0.00 61.00 64.05 3h5a s PRO 316 Cb -0.32 -2.53 0.80 0.00 0.02 0.00 0.00 34.50 32.46 3h5a s PRO 316 CO 0.27 -0.83 1.90 -0.07 -0.33 0.00 0.00 177.00 177.94 3h5a h LEU 317 N 2.12 0.13 -3.35 -5.54 4.07 -1.93 -3.15 115.31 107.66 3h5a h LEU 317 Ca -0.50 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.42 3h5a h LEU 317 Cb 1.27 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3h5a h LEU 317 CO 0.60 0.35 0.00 -1.54 -1.08 0.00 0.00 178.44 176.78 3h5a n SER 318 N -4.23 5.21 -4.67 -0.43 3.41 -1.26 -4.84 113.62 106.80 3h5a n SER 318 Ca -0.01 -2.70 -0.45 0.00 -0.26 0.00 0.00 58.87 55.45 3h5a n SER 318 Cb 0.30 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3h5a n SER 318 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h5a n LEU 319 N 0.84 3.08 -1.78 1.04 4.32 -1.19 -1.02 117.00 122.28 3h5a n LEU 319 Ca 0.27 1.13 -0.18 0.00 -0.02 0.00 0.00 56.01 57.21 3h5a n LEU 319 Cb 1.04 -1.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.36 3h5a n LEU 319 CO 0.28 -0.46 -0.19 0.59 -1.22 0.00 0.00 177.39 176.40 3h5a n ASN 320 N 2.42 -4.81 -3.74 -1.43 3.02 -1.26 -4.90 115.26 104.56 3h5a n ASN 320 Ca 0.13 0.33 -0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3h5a n ASN 320 Cb 0.31 -4.23 -0.12 0.00 -0.61 0.00 0.00 39.78 35.12 3h5a n ASN 320 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3h5a s LYS 321 N -3.96 0.28 -0.23 3.52 1.02 -1.16 -0.52 119.74 118.68 3h5a s LYS 321 Ca 0.00 0.53 -0.07 0.00 0.02 0.00 0.00 55.97 56.45 3h5a s LYS 321 Cb 0.00 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.26 3h5a s LYS 321 CO 0.00 -0.12 0.06 0.50 -0.92 0.00 0.00 175.35 174.87 3h5a s ARG 322 N 0.94 3.73 -0.15 1.68 3.52 -0.66 -2.86 118.95 125.14 3h5a s ARG 322 Ca -0.06 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 3h5a s ARG 322 Cb -0.07 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3h5a s ARG 322 CO -0.06 -0.06 -0.12 0.42 -0.81 0.00 0.00 175.30 174.67 3h5a s ILE 323 N 1.27 3.05 -0.13 4.11 1.01 0.18 -0.51 121.20 130.17 3h5a s ILE 323 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3h5a s ILE 323 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3h5a s ILE 323 CO 0.03 0.51 -0.08 -0.83 0.00 0.00 0.00 174.94 174.57 3h5a s GLY 324 N 0.60 1.63 -0.24 6.18 0.00 -0.02 -1.45 107.32 114.02 3h5a s GLY 324 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3h5a s GLY 324 CO 0.03 -0.19 -0.13 -0.42 0.00 0.00 0.00 173.10 172.40 3h5a s ILE 325 N 0.24 2.26 0.45 0.90 1.01 0.11 -1.71 121.20 124.46 3h5a s ILE 325 Ca -0.06 -1.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 3h5a s ILE 325 Cb -0.15 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 3h5a s ILE 325 CO 0.04 0.16 1.00 0.26 0.00 0.00 0.00 174.94 176.40 3h5a s TRP 326 N 1.19 3.17 -0.04 3.97 0.51 -0.71 -1.14 118.94 125.90 3h5a s TRP 326 Ca -0.04 1.60 0.09 0.00 -2.12 0.00 0.00 56.10 55.63 3h5a s TRP 326 Cb -0.17 -2.97 -0.13 0.00 -0.81 0.00 0.00 33.47 29.39 3h5a s TRP 326 CO -0.07 -0.46 0.14 -1.13 -0.51 0.00 0.00 176.95 174.91 3h5a n SER 327 N -0.73 2.88 -0.88 2.95 3.41 -1.21 -4.47 113.62 115.58 3h5a n SER 327 Ca 0.08 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.74 3h5a n SER 327 Cb 0.53 1.16 0.18 0.00 -0.26 0.00 0.00 64.21 65.82 3h5a n SER 327 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h5a n ASP 328 N -2.01 2.52 -3.62 4.04 3.85 -1.26 -4.91 116.55 115.15 3h5a n ASP 328 Ca -0.06 -2.18 -0.05 0.00 -0.71 0.00 0.00 54.79 51.79 3h5a n ASP 328 Cb 0.44 -0.38 -0.02 0.00 -1.35 0.00 0.00 41.12 39.82 3h5a n ASP 328 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3h5a s GLU 329 N -1.65 0.83 -0.76 0.11 -1.05 -1.26 -5.08 118.70 109.84 3h5a s GLU 329 Ca 0.26 -0.40 -0.24 0.00 -0.15 0.00 0.00 54.97 54.44 3h5a s GLU 329 Cb 0.16 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 34.24 3h5a s GLU 329 CO 0.14 -0.37 1.15 0.42 0.95 0.00 0.00 175.26 177.54 3h5a s ILE 330 N -2.99 4.11 -0.27 1.83 1.01 -1.26 -4.52 121.20 119.12 3h5a s ILE 330 Ca 0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 3h5a s ILE 330 Cb -0.00 -4.82 0.11 0.00 0.01 0.00 0.00 42.46 37.75 3h5a s ILE 330 CO -0.04 -1.66 0.59 -0.75 0.00 0.00 0.00 174.94 173.09 3h5a s LYS 331 N 4.60 0.54 -0.12 2.79 2.20 -1.26 -5.07 119.74 123.41 3h5a s LYS 331 Ca 0.31 1.28 0.01 0.00 -0.36 0.00 0.00 55.97 57.20 3h5a s LYS 331 Cb -0.10 0.56 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3h5a s LYS 331 CO 0.07 -0.20 -0.12 0.42 -0.36 0.00 0.00 175.35 175.16 3h5a s ILE 332 N 2.49 1.35 0.04 5.43 1.01 -1.26 -1.73 121.20 128.53 3h5a s ILE 332 Ca -0.06 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3h5a s ILE 332 Cb -0.10 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3h5a s ILE 332 CO -0.17 0.42 -0.07 -1.00 0.00 0.00 0.00 174.94 174.12 3h5a s HIS 333 N 1.40 2.86 -0.08 3.97 3.76 -0.69 -4.97 115.29 121.53 3h5a s HIS 333 Ca 0.01 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 3h5a s HIS 333 Cb -0.13 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.00 3h5a s HIS 333 CO -0.07 0.39 -0.21 -1.54 -0.85 0.00 0.00 174.74 172.47 3h5a s SER 334 N -1.69 2.70 -0.04 1.40 1.04 -1.26 -0.84 113.70 115.00 3h5a s SER 334 Ca 0.19 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 3h5a s SER 334 Cb -0.11 -1.16 -0.05 0.00 0.10 0.00 0.00 66.02 64.79 3h5a s SER 334 CO 0.10 0.13 0.49 -1.10 0.98 0.00 0.00 173.24 173.85 3h5a s GLN 335 N 0.36 4.20 -0.14 4.02 -0.21 0.33 -4.93 119.66 123.29 3h5a s GLN 335 Ca -0.16 0.53 -0.29 0.00 0.02 0.00 0.00 55.36 55.46 3h5a s GLN 335 Cb -0.17 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 3h5a s GLN 335 CO 0.07 0.40 1.16 1.21 -2.12 0.00 0.00 175.29 176.01 3h5a s ASN 336 N -0.21 7.06 -0.30 5.90 3.04 -1.26 -1.66 114.94 127.50 3h5a s ASN 336 Ca 0.27 1.64 0.12 0.00 0.04 0.00 0.00 52.86 54.92 3h5a s ASN 336 Cb -0.17 -2.55 0.47 0.00 -1.54 0.00 0.00 41.25 37.46 3h5a s ASN 336 CO 0.13 -0.64 1.14 0.23 -3.04 0.00 0.00 177.10 174.92 3h5a n MET 337 N 5.88 2.92 -1.55 0.43 2.81 0.33 -4.76 117.12 123.19 3h5a n MET 337 Ca 0.12 -3.98 -0.31 0.00 -1.81 0.00 0.00 57.70 51.72 3h5a n MET 337 Cb 0.46 -2.03 0.06 0.00 -0.71 0.00 0.00 33.22 31.00 3h5a n MET 337 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3h5a s GLY 338 N -3.62 1.79 0.26 3.03 0.00 -1.23 -3.93 107.32 103.62 3h5a s GLY 338 Ca 0.43 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 3h5a s GLY 338 CO -0.01 0.58 1.59 -1.60 0.00 0.00 0.00 173.10 173.66 3h5a s ARG 339 N -4.74 4.15 -0.20 2.90 3.52 -1.26 -4.69 118.95 118.64 3h5a s ARG 339 Ca 0.61 2.52 -0.05 0.00 -0.13 0.00 0.00 55.73 58.68 3h5a s ARG 339 Cb -0.16 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3h5a s ARG 339 CO 0.51 -0.62 -0.00 0.45 -0.81 0.00 0.00 175.30 174.83 3h5a s SER 340 N 0.66 4.81 0.63 -2.12 0.15 -1.26 -4.95 113.70 111.62 3h5a s SER 340 Ca 0.65 -0.20 0.42 0.00 0.70 0.00 0.00 55.95 57.52 3h5a s SER 340 Cb -0.47 -1.82 2.26 0.00 -1.71 0.00 0.00 66.02 64.28 3h5a s SER 340 CO 0.43 0.07 2.29 -0.65 1.20 0.00 0.00 173.24 176.58 3h5a h PRO 341 N 7.46 0.00 -0.01 5.44 0.11 -1.94 -2.80 132.00 140.25 3h5a h PRO 341 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3h5a h PRO 341 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h5a h PRO 341 CO 0.61 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 178.42 3h5a n VAL 342 N -3.02 0.00 -1.53 3.15 0.31 -1.26 -3.04 118.33 112.94 3h5a n VAL 342 Ca -0.03 -0.37 -0.51 0.00 -0.01 0.00 0.00 64.34 63.42 3h5a n VAL 342 Cb 0.09 1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 34.14 3h5a n VAL 342 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5a n SER 344 N 1.92 0.63 -0.07 0.00 3.41 -1.26 -1.72 113.62 116.53 3h5a n SER 344 Ca 0.17 -1.57 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 3h5a n SER 344 Cb 0.21 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3h5a n SER 344 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h5a n VAL 345 N -0.35 0.73 -0.00 -3.33 0.31 -1.26 -4.86 118.33 109.57 3h5a n VAL 345 Ca 0.14 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3h5a n VAL 345 Cb 0.16 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3h5a n VAL 345 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5a s GLY 347 N -0.79 1.98 -0.30 0.00 0.00 -0.70 -4.97 107.32 102.55 3h5a s GLY 347 Ca 0.01 -0.99 0.08 0.00 0.00 0.00 0.00 44.72 43.81 3h5a s GLY 347 CO 0.00 -0.98 1.37 0.70 0.00 0.00 0.00 173.10 174.19 3h5a n ASN 348 N 0.13 3.23 -3.60 1.64 4.13 -1.17 -4.82 115.26 114.79 3h5a n ASN 348 Ca -0.07 -3.82 -0.15 0.00 1.68 0.00 0.00 54.58 52.22 3h5a n ASN 348 Cb 0.52 -0.56 -0.07 0.00 -1.54 0.00 0.00 39.78 38.14 3h5a n ASN 348 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3h5a s ARG 349 N -3.38 0.94 0.14 3.52 0.52 -1.20 -5.08 118.95 114.42 3h5a s ARG 349 Ca 0.46 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.69 3h5a s ARG 349 Cb 0.41 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 36.27 3h5a s ARG 349 CO -0.01 -0.30 0.18 0.00 0.02 0.00 0.00 175.30 175.19 3h5a s MET 350 N -1.60 3.09 -0.30 3.54 0.00 -1.26 -4.21 119.30 118.56 3h5a s MET 350 Ca -0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 55.69 54.69 3h5a s MET 350 Cb -0.02 -2.78 -0.02 0.00 0.00 0.00 0.00 34.83 32.02 3h5a s MET 350 CO 0.05 0.51 0.43 -0.51 0.00 0.00 0.00 175.02 175.50 3h5a s LEU 351 N -3.02 4.19 0.06 0.18 1.43 -1.26 -5.00 118.68 115.25 3h5a s LEU 351 Ca 0.32 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 3h5a s LEU 351 Cb -0.11 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 3h5a s LEU 351 CO 0.25 -0.31 -0.19 -1.61 0.23 0.00 0.00 176.35 174.72 3h5a s GLU 352 N 2.19 1.21 0.53 1.70 0.41 -1.26 -5.15 118.70 118.32 3h5a s GLU 352 Ca 0.16 -0.96 -0.19 0.00 -0.41 0.00 0.00 54.97 53.57 3h5a s GLU 352 Cb -0.16 -1.34 -0.07 0.00 -1.78 0.00 0.00 34.13 30.79 3h5a s GLU 352 CO 0.11 0.33 1.08 -1.01 -0.49 0.00 0.00 175.26 175.28 3h5a s HIS 353 N -0.92 2.84 0.26 1.61 3.76 -1.26 -5.01 115.29 116.57 3h5a s HIS 353 Ca 0.06 1.56 -0.31 0.00 -0.15 0.00 0.00 55.06 56.21 3h5a s HIS 353 Cb -0.09 -3.16 -0.12 0.00 1.11 0.00 0.00 32.58 30.32 3h5a s HIS 353 CO 0.02 -1.21 1.66 -1.01 -0.85 0.00 0.00 174.74 173.35 3h5a s HIS 354 N -1.94 2.80 -0.33 1.40 3.76 -1.26 -4.98 115.29 114.73 3h5a s HIS 354 Ca 0.69 0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.08 3h5a s HIS 354 Cb -0.20 -4.12 -0.00 0.00 1.11 0.00 0.00 32.58 29.37 3h5a s HIS 354 CO 0.25 -3.96 0.18 -1.58 -0.85 0.00 0.00 174.74 168.78 3h5a s HIS 355 N 0.48 3.20 -0.43 1.40 2.46 -1.26 -5.06 115.29 116.08 3h5a s HIS 355 Ca 0.68 -0.59 -0.17 0.00 0.47 0.00 0.00 55.06 55.45 3h5a s HIS 355 Cb -0.49 -2.40 0.03 0.00 -0.13 0.00 0.00 32.58 29.59 3h5a s HIS 355 CO 0.42 -0.48 0.44 -1.01 -2.47 0.00 0.00 174.74 171.63 3h5a s HIS 356 N 1.62 3.17 -0.78 3.88 3.76 -1.26 -5.01 115.29 120.67 3h5a s HIS 356 Ca 0.04 -0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 3h5a s HIS 356 Cb -0.18 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 3h5a s HIS 356 CO 0.07 -0.72 1.89 -1.58 -0.85 0.00 0.00 174.74 173.55 3h5a s HIS 357 N 2.12 1.77 0.00 1.40 2.46 -1.26 -5.35 115.29 116.43 3h5a s HIS 357 Ca 0.11 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.29 3h5a s HIS 357 Cb -0.18 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 3h5a s HIS 357 CO 0.13 -2.00 0.00 0.72 -2.47 0.00 0.00 174.74 171.12