#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1t n ALA 23 N 0.00 -1.97 -2.38 -0.43 0.00 -1.26 -5.16 120.51 109.31 3h1t n ALA 23 Ca 0.00 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 3h1t n ALA 23 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 3h1t n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1t s LEU 24 N -3.20 4.48 1.03 0.00 1.43 -1.26 -5.08 118.68 116.08 3h1t s LEU 24 Ca 0.00 1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 3h1t s LEU 24 Cb 0.00 -2.83 0.10 0.00 0.03 0.00 0.00 46.19 43.49 3h1t s LEU 24 CO 0.00 0.27 0.42 -3.20 0.23 0.00 0.00 176.35 174.07 3h1t n ASN 25 N 1.59 -1.88 -0.15 2.29 5.15 -1.26 -3.88 115.26 117.13 3h1t n ASN 25 Ca -0.11 0.12 -0.11 0.00 -0.60 0.00 0.00 54.58 53.88 3h1t n ASN 25 Cb 0.52 -1.16 -0.01 0.00 -0.53 0.00 0.00 39.78 38.60 3h1t n ASN 25 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3h1t h GLU 26 N -1.92 0.85 -0.66 1.20 4.81 -1.95 -0.07 114.58 116.84 3h1t h GLU 26 Ca -0.49 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.34 3h1t h GLU 26 Cb 1.31 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3h1t h GLU 26 CO 0.38 0.96 0.13 0.00 -0.73 0.00 0.00 179.01 179.75 3h1t h ALA 27 N 0.86 0.88 -0.52 2.92 0.00 -1.94 -2.25 119.26 119.21 3h1t h ALA 27 Ca 0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3h1t h ALA 27 Cb 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h1t h ALA 27 CO 0.04 0.63 -0.08 -0.44 0.00 0.00 0.00 179.25 179.40 3h1t h ASP 28 N 1.01 0.94 1.22 0.00 3.32 -1.81 -2.36 116.42 118.73 3h1t h ASP 28 Ca 0.20 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3h1t h ASP 28 Cb 0.42 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3h1t h ASP 28 CO 0.01 1.04 -0.16 0.71 -1.72 0.00 0.00 179.24 179.11 3h1t h THR 29 N 0.85 0.35 -0.07 0.35 1.35 -0.81 -0.07 112.91 114.87 3h1t h THR 29 Ca 0.14 -1.09 -0.22 0.00 -0.55 0.00 0.00 66.41 64.69 3h1t h THR 29 Cb 0.61 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3h1t h THR 29 CO 0.04 0.16 -0.84 0.00 -0.25 0.00 0.00 175.52 174.63 3h1t h ARG 31 N 0.36 0.45 0.19 0.00 2.43 -1.09 0.30 114.38 117.01 3h1t h ARG 31 Ca -0.06 -0.29 -0.31 0.00 -0.81 0.00 0.00 59.98 58.50 3h1t h ARG 31 Cb 1.45 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 31.06 3h1t h ARG 31 CO 0.16 0.90 -1.40 0.28 -1.51 0.00 0.00 179.97 178.40 3h1t h VAL 32 N 0.05 1.35 0.00 0.20 2.07 -1.06 -3.40 116.25 115.46 3h1t h VAL 32 Ca 0.00 -2.86 -0.02 0.00 0.82 0.00 0.00 66.70 64.65 3h1t h VAL 32 Cb 0.90 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3h1t h VAL 32 CO 0.07 0.85 -0.48 -1.22 0.02 0.00 0.00 177.57 176.80 3h1t n TYR 33 N -3.61 0.00 0.32 1.57 4.02 0.80 -4.69 117.16 115.57 3h1t n TYR 33 Ca -0.14 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.57 3h1t n TYR 33 Cb 1.07 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 40.11 3h1t n TYR 33 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3h1t h VAL 34 N -0.33 0.04 -0.60 -0.72 2.07 -1.28 -1.43 116.25 114.00 3h1t h VAL 34 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3h1t h VAL 34 Cb 0.44 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3h1t h VAL 34 CO -0.02 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.68 3h1t h THR 35 N -1.03 1.06 -0.66 2.57 2.02 -0.66 -0.74 112.91 115.47 3h1t h THR 35 Ca -0.07 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3h1t h THR 35 Cb 0.88 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3h1t h THR 35 CO -0.03 0.13 0.42 -0.65 0.37 0.00 0.00 175.52 175.76 3h1t h PRO 36 N 0.72 0.89 -0.19 6.66 0.11 -1.73 -1.41 132.00 137.03 3h1t h PRO 36 Ca 0.24 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 3h1t h PRO 36 Cb 0.03 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3h1t h PRO 36 CO -0.11 0.61 -0.12 0.87 -0.21 0.00 0.00 178.00 179.04 3h1t h LYS 37 N 0.90 0.31 -0.39 1.05 1.57 -0.82 0.13 116.57 119.32 3h1t h LYS 37 Ca 0.24 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3h1t h LYS 37 Cb -0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3h1t h LYS 37 CO -0.05 0.44 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.98 3h1t h LEU 38 N 0.29 0.87 -0.44 2.94 3.38 -0.59 -2.57 115.31 119.19 3h1t h LEU 38 Ca 0.06 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 3h1t h LEU 38 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h1t h LEU 38 CO 0.02 1.09 -0.12 0.11 0.09 0.00 0.00 178.44 179.63 3h1t h LYS 39 N 0.65 0.86 -0.25 1.13 1.57 -0.76 -2.24 116.57 117.53 3h1t h LYS 39 Ca 0.08 -0.34 0.07 0.00 -1.87 0.00 0.00 60.65 58.60 3h1t h LYS 39 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3h1t h LYS 39 CO 0.06 0.97 0.21 0.93 -0.57 0.00 0.00 179.45 181.05 3h1t h GLU 40 N 0.69 0.00 -0.41 3.15 5.08 -0.68 0.24 114.58 122.65 3h1t h GLU 40 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3h1t h GLU 40 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3h1t h GLU 40 CO 0.05 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.49 3h1t n SER 41 N -4.16 2.30 0.00 1.42 7.64 -0.86 -4.94 113.62 115.01 3h1t n SER 41 Ca 0.03 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.94 3h1t n SER 41 Cb 0.35 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3h1t n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h1t n GLY 42 N 1.20 0.43 0.02 0.23 0.00 0.07 -4.18 105.19 102.97 3h1t n GLY 42 Ca 0.15 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.37 3h1t n GLY 42 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1t n TRP 43 N -2.93 0.00 0.06 1.61 7.02 -1.09 -3.10 117.44 119.01 3h1t n TRP 43 Ca 0.00 -0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 3h1t n TRP 43 Cb 0.00 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 28.93 3h1t n TRP 43 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3h1t n GLU 44 N -0.94 1.28 -3.27 -0.99 2.13 -1.26 -2.14 120.64 115.45 3h1t n GLU 44 Ca 0.23 -1.25 -0.41 0.00 0.66 0.00 0.00 57.16 56.39 3h1t n GLU 44 Cb 0.12 -1.10 -0.08 0.00 0.27 0.00 0.00 31.44 30.65 3h1t n GLU 44 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3h1t s ASN 45 N -0.69 6.30 0.35 4.31 0.02 -1.18 -4.90 114.94 119.15 3h1t s ASN 45 Ca 0.08 0.00 -0.25 0.00 -1.02 0.00 0.00 52.86 51.67 3h1t s ASN 45 Cb 0.04 -2.25 -0.13 0.00 0.02 0.00 0.00 41.25 38.93 3h1t s ASN 45 CO 0.06 -0.43 0.74 0.59 0.02 0.00 0.00 177.10 178.09 3h1t n ASN 46 N 5.65 0.01 0.00 -1.22 5.03 -1.26 -2.14 115.26 121.33 3h1t n ASN 46 Ca -0.06 1.04 0.13 0.00 0.87 0.00 0.00 54.58 56.56 3h1t n ASN 46 Cb 0.49 -1.18 0.68 0.00 -1.02 0.00 0.00 39.78 38.75 3h1t n ASN 46 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3h1t n PRO 47 N 0.63 0.36 -1.31 3.52 -0.04 -1.26 -5.10 135.00 131.80 3h1t n PRO 47 Ca 0.11 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 3h1t n PRO 47 Cb 0.35 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.41 3h1t n PRO 47 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3h1t s SER 48 N -2.59 4.30 0.22 3.54 0.01 -0.91 -3.66 113.70 114.60 3h1t s SER 48 Ca 0.25 2.03 -0.12 0.00 1.31 0.00 0.00 55.95 59.42 3h1t s SER 48 Cb 0.18 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.86 3h1t s SER 48 CO 0.42 -2.18 0.43 0.00 0.41 0.00 0.00 173.24 172.32 3h1t s ALA 49 N -2.55 -0.22 -0.07 1.44 0.00 -0.43 -4.11 121.76 115.82 3h1t s ALA 49 Ca 0.66 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3h1t s ALA 49 Cb -0.21 1.01 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3h1t s ALA 49 CO 0.51 -0.79 -0.14 0.42 0.00 0.00 0.00 175.76 175.76 3h1t s ILE 50 N -3.99 1.28 -0.28 0.00 1.09 -1.21 -1.52 121.20 116.57 3h1t s ILE 50 Ca 0.20 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.20 3h1t s ILE 50 Cb 0.01 -1.15 0.08 0.00 -1.06 0.00 0.00 42.46 40.33 3h1t s ILE 50 CO 0.05 0.39 0.02 0.28 -0.10 0.00 0.00 174.94 175.58 3h1t s THR 51 N 0.61 1.44 0.43 2.92 -1.32 -0.85 -4.98 115.64 113.90 3h1t s THR 51 Ca -0.15 -1.48 -0.23 0.00 -1.21 0.00 0.00 61.69 58.62 3h1t s THR 51 Cb -0.16 -1.91 -0.09 0.00 -1.51 0.00 0.00 72.50 68.83 3h1t s THR 51 CO 0.05 -0.38 1.05 -1.61 -2.21 0.00 0.00 174.62 171.51 3h1t s GLU 52 N 1.38 4.01 -1.04 7.08 2.02 -1.26 -1.92 118.70 128.97 3h1t s GLU 52 Ca 0.03 1.47 -0.15 0.00 0.02 0.00 0.00 54.97 56.34 3h1t s GLU 52 Cb -0.18 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 3h1t s GLU 52 CO -0.12 -0.27 0.77 1.04 0.02 0.00 0.00 175.26 176.70 3h1t n GLN 53 N -0.42 -1.34 -2.47 1.61 1.13 0.18 -4.85 117.38 111.22 3h1t n GLN 53 Ca 0.07 0.66 -0.43 0.00 -1.94 0.00 0.00 57.00 55.36 3h1t n GLN 53 Cb 0.51 -4.25 -0.02 0.00 0.11 0.00 0.00 30.24 26.58 3h1t n GLN 53 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3h1t s TYR 54 N -3.34 2.60 -0.25 1.08 5.04 0.12 -4.83 117.35 117.78 3h1t s TYR 54 Ca 0.36 0.70 -0.12 0.00 -2.44 0.00 0.00 57.07 55.57 3h1t s TYR 54 Cb -0.12 -4.36 -0.05 0.00 0.35 0.00 0.00 41.96 37.78 3h1t s TYR 54 CO 0.84 -1.64 0.23 0.99 -1.34 0.00 0.00 175.55 174.64 3h1t s THR 55 N 4.95 5.30 0.00 4.34 2.01 -1.26 -0.93 115.64 130.05 3h1t s THR 55 Ca 0.55 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.87 3h1t s THR 55 Cb -0.11 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3h1t s THR 55 CO 0.32 0.29 0.68 2.22 -0.69 0.00 0.00 174.62 177.44 3h1t n PHE 56 N 4.61 0.00 -4.40 4.92 -1.74 -0.81 -5.01 117.46 115.03 3h1t n PHE 56 Ca -0.13 -0.22 -0.20 0.00 -0.56 0.00 0.00 57.45 56.34 3h1t n PHE 56 Cb 0.52 -0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.39 3h1t n PHE 56 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3h1t s THR 57 N -0.43 1.61 -1.35 1.97 2.01 -1.24 -4.68 115.64 113.53 3h1t s THR 57 Ca 0.00 -2.14 0.16 0.00 0.31 0.00 0.00 61.69 60.02 3h1t s THR 57 Cb 0.00 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3h1t s THR 57 CO 0.00 -0.38 0.82 0.47 -0.69 0.00 0.00 174.62 174.84 3h1t n ASP 58 N -0.51 1.47 -0.06 3.53 8.00 0.33 -4.49 116.55 124.81 3h1t n ASP 58 Ca -0.06 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3h1t n ASP 58 Cb 0.63 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.29 3h1t n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1t n GLY 59 N 1.19 0.69 3.73 0.44 0.00 -1.11 -4.73 105.19 105.40 3h1t n GLY 59 Ca 0.06 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3h1t n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1t s ARG 60 N -3.00 4.13 -0.15 1.61 3.52 -1.24 -3.88 118.95 119.94 3h1t s ARG 60 Ca 0.00 2.57 -0.29 0.00 -0.13 0.00 0.00 55.73 57.88 3h1t s ARG 60 Cb 0.00 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3h1t s ARG 60 CO 0.00 -0.69 1.57 0.08 -0.81 0.00 0.00 175.30 175.44 3h1t s VAL 61 N 0.72 3.76 0.52 7.11 1.01 -1.26 -1.49 120.40 130.77 3h1t s VAL 61 Ca 0.70 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.58 3h1t s VAL 61 Cb -0.48 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3h1t s VAL 61 CO 0.38 -0.19 0.06 -1.10 0.00 0.00 0.00 175.10 174.26 3h1t s GLN 62 N 4.25 2.21 0.04 2.72 -0.21 0.74 -4.89 119.66 124.53 3h1t s GLN 62 Ca 0.69 -2.35 0.04 0.00 0.02 0.00 0.00 55.36 53.76 3h1t s GLN 62 Cb -0.27 -1.62 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 3h1t s GLN 62 CO 0.27 -0.41 -0.11 -0.06 -2.12 0.00 0.00 175.29 172.86 3h1t s PHE 63 N -2.87 0.95 -0.14 0.91 0.40 -1.26 -1.26 117.98 114.72 3h1t s PHE 63 Ca 0.09 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3h1t s PHE 63 Cb 0.01 -0.56 0.07 0.00 0.51 0.00 0.00 43.02 43.05 3h1t s PHE 63 CO 0.05 -0.00 0.25 0.15 0.70 0.00 0.00 175.22 176.37 3h1t s LYS 64 N -1.33 0.15 6.61 0.44 -0.14 0.21 -4.96 119.74 120.72 3h1t s LYS 64 Ca -0.03 0.65 0.00 0.00 -1.36 0.00 0.00 55.97 55.23 3h1t s LYS 64 Cb -0.08 -0.23 0.00 0.00 -1.68 0.00 0.00 37.83 35.84 3h1t s LYS 64 CO 0.01 -0.35 0.00 0.41 -0.76 0.00 0.00 175.35 174.66 3h1t n GLY 65 N 5.34 2.76 0.95 -3.33 0.00 -1.26 -0.70 105.19 108.95 3h1t n GLY 65 Ca -0.06 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.72 3h1t n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1t n SER 66 N 3.42 2.79 -4.52 1.61 3.41 -1.26 -4.95 113.62 114.12 3h1t n SER 66 Ca 0.00 -1.93 -0.30 0.00 -0.26 0.00 0.00 58.87 56.38 3h1t n SER 66 Cb 0.00 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 3h1t n SER 66 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h1t s LYS 67 N -1.45 1.97 0.12 4.33 1.02 0.12 -5.14 119.74 120.71 3h1t s LYS 67 Ca 0.36 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 55.31 3h1t s LYS 67 Cb 0.20 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3h1t s LYS 67 CO 0.27 0.50 0.09 0.14 -0.92 0.00 0.00 175.35 175.44 3h1t s VAL 68 N -1.14 4.44 0.16 3.17 -7.23 -1.26 0.66 120.40 119.19 3h1t s VAL 68 Ca 0.19 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.17 3h1t s VAL 68 Cb -0.11 -3.20 0.07 0.00 0.56 0.00 0.00 36.38 33.70 3h1t s VAL 68 CO 0.11 0.02 0.98 0.00 -0.31 0.00 0.00 175.10 175.89 3h1t s GLN 69 N -2.70 1.20 -0.10 4.82 -2.07 -0.39 -4.96 119.66 115.46 3h1t s GLN 69 Ca 0.30 -0.68 -0.06 0.00 -1.82 0.00 0.00 55.36 53.09 3h1t s GLN 69 Cb -0.11 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 3h1t s GLN 69 CO 0.22 -0.55 0.15 1.03 -1.32 0.00 0.00 175.29 174.82 3h1t s ARG 70 N -3.14 3.44 0.00 9.60 0.52 -1.26 0.26 118.95 128.38 3h1t s ARG 70 Ca 0.13 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 3h1t s ARG 70 Cb -0.01 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.28 3h1t s ARG 70 CO 0.03 0.77 0.00 0.41 0.02 0.00 0.00 175.30 176.52 3h1t n GLY 71 N 1.84 1.61 7.00 -3.53 0.00 -0.55 -4.87 105.19 106.68 3h1t n GLY 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3h1t n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h1t n GLU 72 N 0.00 0.00 -1.16 1.61 4.07 -1.26 -4.21 120.64 119.68 3h1t n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3h1t n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3h1t n GLU 72 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3h1t n GLN 73 N 14.00 0.00 -2.25 5.31 1.13 -1.26 -4.86 117.38 129.46 3h1t n GLN 73 Ca 0.00 0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 55.04 3h1t n GLN 73 Cb 0.00 -1.11 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 3h1t n GLN 73 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3h1t s LYS 74 N -0.86 4.44 -0.10 -1.09 1.02 -1.26 -4.92 119.74 116.96 3h1t s LYS 74 Ca 0.00 2.05 -0.09 0.00 0.02 0.00 0.00 55.97 57.95 3h1t s LYS 74 Cb 0.00 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3h1t s LYS 74 CO 0.00 -0.12 0.27 0.50 -0.92 0.00 0.00 175.35 175.08 3h1t s ARG 75 N -1.00 0.30 -0.07 1.68 3.52 -1.26 -1.92 118.95 120.19 3h1t s ARG 75 Ca 0.51 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 3h1t s ARG 75 Cb -0.36 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.10 3h1t s ARG 75 CO 0.44 -0.06 -0.07 0.00 -0.81 0.00 0.00 175.30 174.80 3h1t s ALA 76 N 0.36 2.99 0.17 6.12 0.00 -0.11 -4.91 121.76 126.38 3h1t s ALA 76 Ca -0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3h1t s ALA 76 Cb -0.03 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.92 3h1t s ALA 76 CO -0.01 0.55 1.66 -0.44 0.00 0.00 0.00 175.76 177.51 3h1t h ASP 77 N 5.35 -0.46 -4.37 0.00 3.32 -1.89 0.42 116.42 118.78 3h1t h ASP 77 Ca -0.47 0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.52 3h1t h ASP 77 Cb 1.18 0.28 -0.24 0.00 0.22 0.00 0.00 39.33 40.77 3h1t h ASP 77 CO 0.53 -0.17 -0.65 -0.31 -1.72 0.00 0.00 179.24 176.93 3h1t s TYR 78 N -6.19 0.07 -0.10 4.55 1.51 -1.13 0.52 117.35 116.58 3h1t s TYR 78 Ca -0.14 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3h1t s TYR 78 Cb 0.14 -0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.94 3h1t s TYR 78 CO 0.71 -0.12 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.68 3h1t s LEU 79 N -0.72 1.83 -0.31 -1.29 1.98 -0.81 -1.73 118.68 117.64 3h1t s LEU 79 Ca -0.08 -0.44 -0.09 0.00 -2.89 0.00 0.00 54.13 50.62 3h1t s LEU 79 Cb -0.05 -1.13 -0.00 0.00 0.66 0.00 0.00 46.19 45.66 3h1t s LEU 79 CO -0.00 0.07 0.15 -0.76 -1.89 0.00 0.00 176.35 173.91 3h1t s LEU 80 N 0.70 4.12 -0.22 -0.68 1.43 -0.11 -2.00 118.68 121.92 3h1t s LEU 80 Ca -0.12 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 3h1t s LEU 80 Cb -0.16 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3h1t s LEU 80 CO 0.03 -0.21 0.12 -0.54 0.23 0.00 0.00 176.35 175.97 3h1t s LYS 81 N 1.59 4.00 0.13 1.70 1.02 -0.57 -0.70 119.74 126.90 3h1t s LYS 81 Ca 0.04 -0.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 3h1t s LYS 81 Cb -0.17 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3h1t s LYS 81 CO 0.06 0.12 1.53 -0.92 -0.92 0.00 0.00 175.35 175.21 3h1t h TYR 82 N 7.28 0.90 -3.57 3.18 3.20 -1.19 -1.14 116.97 125.64 3h1t h TYR 82 Ca -0.38 -0.20 -0.38 0.00 3.14 0.00 0.00 58.73 60.91 3h1t h TYR 82 Cb 1.17 -0.22 -0.14 0.00 1.54 0.00 0.00 36.73 39.08 3h1t h TYR 82 CO 0.63 0.93 -0.61 0.99 -1.64 0.00 0.00 178.16 178.47 3h1t s THR 83 N -4.75 0.67 0.14 1.81 2.01 -1.07 -2.45 115.64 111.99 3h1t s THR 83 Ca -0.12 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 59.70 3h1t s THR 83 Cb 0.10 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3h1t s THR 83 CO 0.83 0.00 1.79 -0.09 -0.69 0.00 0.00 174.62 176.45 3h1t h ARG 84 N 2.30 0.35 -0.71 4.92 2.43 -1.88 -2.43 114.38 119.36 3h1t h ARG 84 Ca -0.38 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 3h1t h ARG 84 Cb 1.25 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 3h1t h ARG 84 CO 0.62 0.23 0.12 -0.25 -1.51 0.00 0.00 179.97 179.19 3h1t n ASP 85 N -4.91 4.85 -3.33 -3.80 8.00 -1.26 -4.72 116.55 111.39 3h1t n ASP 85 Ca -0.02 -2.95 -0.24 0.00 0.71 0.00 0.00 54.79 52.30 3h1t n ASP 85 Cb 0.03 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.35 3h1t n ASP 85 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3h1t s PHE 86 N -2.62 0.60 0.60 1.24 2.19 -0.91 -4.95 117.98 114.13 3h1t s PHE 86 Ca 0.48 -1.90 -0.18 0.00 0.33 0.00 0.00 56.93 55.66 3h1t s PHE 86 Cb 0.38 -0.73 -0.03 0.00 -1.31 0.00 0.00 43.02 41.33 3h1t s PHE 86 CO 0.13 -0.89 1.20 -1.25 1.83 0.00 0.00 175.22 176.24 3h1t s PRO 87 N 0.42 2.93 0.00 10.12 0.04 -1.26 -0.69 135.00 146.55 3h1t s PRO 87 Ca 0.29 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3h1t s PRO 87 Cb -0.02 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3h1t s PRO 87 CO -0.14 -1.23 0.00 1.51 0.04 0.00 0.00 177.00 177.18 3h1t n ILE 88 N -1.68 0.00 -4.04 0.56 3.06 0.12 -4.71 119.36 112.67 3h1t n ILE 88 Ca 0.13 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.29 3h1t n ILE 88 Cb 0.50 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.61 3h1t n ILE 88 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h1t s ALA 89 N -0.26 0.09 0.00 1.51 0.00 -0.94 -3.88 121.76 118.27 3h1t s ALA 89 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 3h1t s ALA 89 Cb 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 3h1t s ALA 89 CO 0.00 -0.78 0.07 0.54 0.00 0.00 0.00 175.76 175.59 3h1t s VAL 90 N -4.05 0.07 -0.03 0.00 0.11 -0.99 -0.93 120.40 114.58 3h1t s VAL 90 Ca 0.26 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3h1t s VAL 90 Cb 0.01 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 3h1t s VAL 90 CO 0.09 -0.33 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.68 3h1t s VAL 91 N -1.06 1.33 -0.24 2.04 1.01 -0.70 -0.96 120.40 121.82 3h1t s VAL 91 Ca -0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3h1t s VAL 91 Cb -0.07 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3h1t s VAL 91 CO 0.00 0.38 -0.01 -0.70 0.00 0.00 0.00 175.10 174.78 3h1t s GLU 92 N -0.11 3.35 0.16 2.72 -6.30 0.54 -2.84 118.70 116.22 3h1t s GLU 92 Ca 0.00 -0.65 0.03 0.00 -2.50 0.00 0.00 54.97 51.85 3h1t s GLU 92 Cb -0.09 -3.11 -0.04 0.00 0.00 0.00 0.00 34.13 30.89 3h1t s GLU 92 CO 0.01 -0.24 0.24 0.00 0.02 0.00 0.00 175.26 175.29 3h1t s ALA 93 N 1.50 3.85 0.09 6.30 0.00 -1.26 -1.34 121.76 130.89 3h1t s ALA 93 Ca 0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3h1t s ALA 93 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3h1t s ALA 93 CO -0.01 0.52 0.11 0.15 0.00 0.00 0.00 175.76 176.52 3h1t s LYS 94 N -3.22 0.80 0.57 0.00 -0.14 -0.40 -4.93 119.74 112.42 3h1t s LYS 94 Ca 0.33 -1.12 -0.21 0.00 -1.36 0.00 0.00 55.97 53.62 3h1t s LYS 94 Cb -0.11 0.29 -0.04 0.00 -1.68 0.00 0.00 37.83 36.30 3h1t s LYS 94 CO 0.27 -0.23 1.35 -1.25 -0.76 0.00 0.00 175.35 174.73 3h1t s PRO 95 N -3.91 2.99 0.50 -1.68 0.04 -1.26 -4.38 135.00 127.30 3h1t s PRO 95 Ca 0.09 2.21 0.27 0.00 0.04 0.00 0.00 61.00 63.61 3h1t s PRO 95 Cb 0.06 -2.16 1.36 0.00 0.04 0.00 0.00 34.50 33.80 3h1t s PRO 95 CO -0.08 -1.30 1.87 1.05 0.04 0.00 0.00 177.00 178.57 3h1t h GLU 96 N 1.23 0.13 0.00 4.56 4.11 -1.67 -1.42 114.58 121.53 3h1t h GLU 96 Ca -0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3h1t h GLU 96 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h1t h GLU 96 CO 0.56 0.09 0.00 0.27 0.07 0.00 0.00 179.01 180.00 3h1t n ASN 97 N -4.36 0.40 -4.91 3.06 2.04 -1.26 -4.82 115.26 105.41 3h1t n ASN 97 Ca 0.20 0.58 -0.31 0.00 -0.44 0.00 0.00 54.58 54.60 3h1t n ASN 97 Cb 0.90 -0.67 -0.04 0.00 -2.53 0.00 0.00 39.78 37.44 3h1t n ASN 97 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3h1t s SER 98 N -3.74 6.40 0.40 0.53 1.04 -0.54 -5.08 113.70 112.72 3h1t s SER 98 Ca 0.08 0.38 -0.27 0.00 0.48 0.00 0.00 55.95 56.61 3h1t s SER 98 Cb 0.11 -2.00 -0.10 0.00 0.10 0.00 0.00 66.02 64.13 3h1t s SER 98 CO 0.41 0.15 1.46 -0.81 0.98 0.00 0.00 173.24 175.44 3h1t n PRO 99 N 0.33 2.52 -0.09 4.02 -0.04 -1.26 -4.80 135.00 135.67 3h1t n PRO 99 Ca -0.05 0.89 -0.10 0.00 -0.04 0.00 0.00 63.50 64.19 3h1t n PRO 99 Cb 0.51 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3h1t n PRO 99 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3h1t h VAL 100 N 2.71 1.21 0.00 0.52 -1.51 -1.94 -3.02 116.25 114.22 3h1t h VAL 100 Ca -0.51 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 3h1t h VAL 100 Cb 1.25 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3h1t h VAL 100 CO 0.63 0.22 0.13 0.61 -1.23 0.00 0.00 177.57 177.93 3h1t n GLY 101 N -0.59 -0.25 0.26 5.19 0.00 -1.26 -2.62 105.19 105.92 3h1t n GLY 101 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3h1t n GLY 101 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h1t h GLN 102 N 0.00 -0.57 -4.79 1.61 4.15 -1.92 -3.42 115.11 110.18 3h1t h GLN 102 Ca 0.00 0.04 -0.65 0.00 0.77 0.00 0.00 58.65 58.81 3h1t h GLN 102 Cb 0.26 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3h1t h GLN 102 CO 0.00 -0.26 2.49 0.41 -1.93 0.00 0.00 178.83 179.54 3h1t n GLY 103 N -0.46 3.17 0.00 2.39 0.00 -1.08 -4.61 105.19 104.61 3h1t n GLY 103 Ca -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3h1t n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1t n GLN 105 N 7.17 0.00 -0.14 1.61 6.02 -1.26 -0.99 117.38 129.79 3h1t n GLN 105 Ca 0.50 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.40 3h1t n GLN 105 Cb 0.42 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.73 3h1t n GLN 105 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3h1t h GLN 106 N 0.00 0.92 -0.28 -1.09 5.75 -1.96 -0.93 115.11 117.52 3h1t h GLN 106 Ca 0.00 -0.35 -0.17 0.00 -0.15 0.00 0.00 58.65 57.99 3h1t h GLN 106 Cb 0.00 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 3h1t h GLN 106 CO 0.00 1.00 -0.48 0.00 -2.65 0.00 0.00 178.83 176.70 3h1t h ALA 107 N 1.01 0.61 -0.49 3.38 0.00 -1.38 -2.76 119.26 119.63 3h1t h ALA 107 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3h1t h ALA 107 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3h1t h ALA 107 CO 0.05 0.68 0.05 0.87 0.00 0.00 0.00 179.25 180.90 3h1t h LYS 108 N 0.61 0.78 -0.34 0.00 1.57 -1.77 -1.90 116.57 115.51 3h1t h LYS 108 Ca 0.03 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3h1t h LYS 108 Cb 1.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3h1t h LYS 108 CO 0.10 0.75 -0.07 0.22 -0.57 0.00 0.00 179.45 179.89 3h1t h ASP 109 N 0.74 0.54 0.54 0.86 3.58 -1.00 -0.65 116.42 121.02 3h1t h ASP 109 Ca 0.15 -0.13 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 3h1t h ASP 109 Cb 0.38 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3h1t h ASP 109 CO 0.01 0.66 -0.89 1.88 -2.88 0.00 0.00 179.24 178.02 3h1t h TYR 110 N 0.53 0.35 -0.04 0.28 0.05 -1.19 -1.94 116.97 115.01 3h1t h TYR 110 Ca 0.10 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3h1t h TYR 110 Cb 0.44 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 3h1t h TYR 110 CO 0.02 1.01 0.01 0.00 -1.05 0.00 0.00 178.16 178.15 3h1t h ALA 111 N 0.93 0.06 -0.78 3.88 0.00 -1.00 0.42 119.26 122.76 3h1t h ALA 111 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3h1t h ALA 111 Cb 1.52 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3h1t h ALA 111 CO 0.14 -0.33 0.44 0.93 0.00 0.00 0.00 179.25 180.42 3h1t h GLU 112 N -0.14 1.08 -0.31 0.00 5.08 -1.13 0.24 114.58 119.41 3h1t h GLU 112 Ca 0.01 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3h1t h GLU 112 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h1t h GLU 112 CO -0.00 0.80 -0.38 0.82 -1.00 0.00 0.00 179.01 179.24 3h1t h ILE 113 N 1.08 1.29 -0.06 3.13 2.04 -1.16 -3.08 117.51 120.74 3h1t h ILE 113 Ca 0.28 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3h1t h ILE 113 Cb 0.02 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3h1t h ILE 113 CO -0.05 0.50 0.00 0.18 0.00 0.00 0.00 178.15 178.79 3h1t n LEU 114 N -4.05 1.44 -1.58 1.44 4.77 0.12 -4.92 117.00 114.23 3h1t n LEU 114 Ca -0.02 -0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 3h1t n LEU 114 Cb 0.52 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3h1t n LEU 114 CO 0.46 0.26 -0.04 0.61 -1.33 0.00 0.00 177.39 177.35 3h1t n GLY 115 N 1.14 -0.00 3.89 -0.72 0.00 0.02 -4.86 105.19 104.67 3h1t n GLY 115 Ca 0.18 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3h1t n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1t s LEU 116 N -3.61 4.14 0.00 0.99 1.43 0.64 -5.02 118.68 117.25 3h1t s LEU 116 Ca 0.11 0.04 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 3h1t s LEU 116 Cb -0.05 -2.71 0.15 0.00 0.03 0.00 0.00 46.19 43.61 3h1t s LEU 116 CO 0.14 0.04 1.11 0.29 0.23 0.00 0.00 176.35 178.16 3h1t n LYS 117 N -0.64 1.71 -4.21 1.70 4.01 -1.26 -4.48 118.16 114.99 3h1t n LYS 117 Ca -0.08 -1.64 -0.21 0.00 -0.51 0.00 0.00 58.31 55.87 3h1t n LYS 117 Cb 0.55 -1.37 -0.16 0.00 -0.51 0.00 0.00 35.03 33.53 3h1t n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3h1t s PHE 118 N -1.65 0.88 -0.01 2.13 0.08 -1.25 -1.43 117.98 116.73 3h1t s PHE 118 Ca 0.23 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.04 3h1t s PHE 118 Cb 0.16 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.85 3h1t s PHE 118 CO 0.25 -0.22 -0.12 0.00 -0.10 0.00 0.00 175.22 175.04 3h1t s ALA 119 N 0.93 0.97 0.01 5.36 0.00 -0.75 -2.35 121.76 125.93 3h1t s ALA 119 Ca -0.11 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3h1t s ALA 119 Cb -0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3h1t s ALA 119 CO 0.00 0.24 -0.13 0.71 0.00 0.00 0.00 175.76 176.58 3h1t s TYR 120 N -0.26 1.12 -0.06 0.00 2.02 -0.13 -0.91 117.35 119.12 3h1t s TYR 120 Ca 0.04 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3h1t s TYR 120 Cb -0.05 -0.70 -0.00 0.00 -0.40 0.00 0.00 41.96 40.81 3h1t s TYR 120 CO -0.00 -0.00 -0.20 0.45 -1.57 0.00 0.00 175.55 174.23 3h1t s SER 121 N -0.63 2.49 0.02 2.29 0.15 -0.06 -0.34 113.70 117.63 3h1t s SER 121 Ca 0.03 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 3h1t s SER 121 Cb -0.06 -0.81 0.01 0.00 -1.71 0.00 0.00 66.02 63.45 3h1t s SER 121 CO 0.00 0.16 0.23 0.28 1.20 0.00 0.00 173.24 175.11 3h1t s THR 122 N 0.11 0.09 -0.13 6.45 -1.32 -0.45 -0.01 115.64 120.37 3h1t s THR 122 Ca -0.07 -0.72 0.15 0.00 -1.21 0.00 0.00 61.69 59.84 3h1t s THR 122 Cb -0.14 -0.74 0.30 0.00 -1.51 0.00 0.00 72.50 70.41 3h1t s THR 122 CO 0.04 -0.39 1.15 -0.46 -2.21 0.00 0.00 174.62 172.75 3h1t n ASN 123 N 0.97 1.79 0.00 8.08 6.94 -1.09 -1.28 115.26 130.68 3h1t n ASN 123 Ca -0.20 -3.12 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 3h1t n ASN 123 Cb 0.58 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3h1t n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h1t n GLY 124 N -1.04 2.15 0.09 4.83 0.00 -1.26 -3.43 105.19 106.53 3h1t n GLY 124 Ca 0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3h1t n GLY 124 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3h1t h HIS 125 N 0.00 0.00 -2.97 1.61 -0.00 -1.95 -3.42 115.15 108.42 3h1t h HIS 125 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.75 3h1t h HIS 125 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.28 3h1t h HIS 125 CO 0.00 0.76 -0.71 -1.21 -0.00 0.00 0.00 177.93 176.77 3h1t s GLU 126 N -2.81 2.14 -0.06 5.12 2.02 -1.26 -5.06 118.70 118.78 3h1t s GLU 126 Ca -0.00 -1.23 -0.00 0.00 0.02 0.00 0.00 54.97 53.75 3h1t s GLU 126 Cb 0.09 -2.20 0.03 0.00 0.10 0.00 0.00 34.13 32.14 3h1t s GLU 126 CO 0.80 0.44 -0.01 0.42 0.02 0.00 0.00 175.26 176.93 3h1t s ILE 127 N -1.71 0.40 -0.17 -1.63 1.01 -1.26 -2.65 121.20 115.19 3h1t s ILE 127 Ca 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 3h1t s ILE 127 Cb -0.09 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 3h1t s ILE 127 CO 0.16 0.24 -0.10 -0.22 0.00 0.00 0.00 174.94 175.01 3h1t s LEU 128 N 1.56 2.74 -0.07 2.97 0.20 0.98 -1.07 118.68 126.00 3h1t s LEU 128 Ca -0.01 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.46 3h1t s LEU 128 Cb -0.13 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 3h1t s LEU 128 CO -0.03 0.08 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.27 3h1t s GLU 129 N 0.85 2.71 -0.19 1.98 2.12 0.63 -0.88 118.70 125.92 3h1t s GLU 129 Ca -0.03 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.60 3h1t s GLU 129 Cb -0.15 -2.43 0.02 0.00 0.26 0.00 0.00 34.13 31.83 3h1t s GLU 129 CO 0.00 0.52 -0.17 0.12 -0.54 0.00 0.00 175.26 175.20 3h1t s PHE 130 N -0.47 2.85 -0.32 5.30 5.36 -0.09 -1.07 117.98 129.54 3h1t s PHE 130 Ca 0.06 -1.59 -0.08 0.00 -0.96 0.00 0.00 56.93 54.36 3h1t s PHE 130 Cb -0.12 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3h1t s PHE 130 CO 0.02 -0.77 0.13 0.34 -1.46 0.00 0.00 175.22 173.47 3h1t s ASP 131 N 1.31 5.38 0.54 6.13 -1.08 -0.92 -1.81 116.67 126.21 3h1t s ASP 131 Ca 0.04 -0.78 0.30 0.00 -0.52 0.00 0.00 52.55 51.59 3h1t s ASP 131 Cb -0.14 -1.94 1.50 0.00 -1.46 0.00 0.00 42.92 40.88 3h1t s ASP 131 CO -0.11 -0.25 2.07 1.88 0.52 0.00 0.00 175.17 179.28 3h1t h TYR 132 N 8.30 0.00 0.00 -5.34 -1.99 -1.58 0.80 116.97 117.16 3h1t h TYR 132 Ca -0.29 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.42 3h1t h TYR 132 Cb 1.12 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.85 3h1t h TYR 132 CO 0.61 0.10 -0.10 1.79 -0.00 0.00 0.00 178.16 180.56 3h1t h THR 133 N 0.00 0.21 0.00 -2.88 1.35 -1.93 -3.32 112.91 106.33 3h1t h THR 133 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3h1t h THR 133 Cb 0.36 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3h1t h THR 133 CO 0.01 0.09 -0.97 0.35 -0.25 0.00 0.00 175.52 174.76 3h1t n THR 134 N -3.18 0.00 -1.00 6.82 -2.24 -0.97 -5.01 114.28 108.70 3h1t n THR 134 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3h1t n THR 134 Cb 0.44 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3h1t n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1t n GLY 135 N 2.50 0.64 3.81 3.38 0.00 0.27 -5.02 105.19 110.77 3h1t n GLY 135 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3h1t n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1t s GLU 136 N -0.05 4.17 -0.16 1.61 2.02 -1.23 -4.88 118.70 120.18 3h1t s GLU 136 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.69 3h1t s GLU 136 Cb 0.00 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3h1t s GLU 136 CO 0.00 0.63 -0.17 -2.00 0.02 0.00 0.00 175.26 173.74 3h1t s GLU 137 N -1.04 3.15 0.13 1.61 2.12 -1.26 -2.17 118.70 121.23 3h1t s GLU 137 Ca 0.28 -0.78 -0.20 0.00 0.36 0.00 0.00 54.97 54.64 3h1t s GLU 137 Cb -0.19 -2.61 0.05 0.00 0.26 0.00 0.00 34.13 31.64 3h1t s GLU 137 CO 0.18 -0.05 0.51 1.14 -0.54 0.00 0.00 175.26 176.49 3h1t s GLN 138 N 0.97 1.16 0.23 4.30 -2.07 -0.24 -4.96 119.66 119.06 3h1t s GLN 138 Ca -0.03 -0.55 -0.29 0.00 -1.82 0.00 0.00 55.36 52.68 3h1t s GLN 138 Cb -0.15 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 3h1t s GLN 138 CO -0.03 -0.48 0.91 -0.51 -1.32 0.00 0.00 175.29 173.86 3h1t s LEU 139 N -2.69 4.61 0.24 2.60 1.43 -1.26 -0.26 118.68 123.35 3h1t s LEU 139 Ca 0.01 1.89 0.11 0.00 -1.03 0.00 0.00 54.13 55.11 3h1t s LEU 139 Cb 0.00 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3h1t s LEU 139 CO -0.11 0.15 -0.16 -0.76 0.23 0.00 0.00 176.35 175.70 3h1t s LEU 140 N -1.25 2.73 0.00 1.79 1.43 -0.24 -4.94 118.68 118.20 3h1t s LEU 140 Ca 0.41 -0.85 0.28 0.00 -1.03 0.00 0.00 54.13 52.94 3h1t s LEU 140 Cb -0.25 -1.32 1.10 0.00 0.03 0.00 0.00 46.19 45.75 3h1t s LEU 140 CO 0.30 0.06 1.80 -1.54 0.23 0.00 0.00 176.35 177.20 3h1t n SER 141 N -0.38 0.34 -3.60 2.29 3.41 -1.26 -4.22 113.62 110.21 3h1t n SER 141 Ca -0.08 -0.23 0.01 0.00 -0.26 0.00 0.00 58.87 58.31 3h1t n SER 141 Cb 0.58 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3h1t n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1t s ARG 142 N -2.71 0.18 0.35 4.33 1.70 -1.26 -5.05 118.95 116.48 3h1t s ARG 142 Ca 0.22 -0.09 -0.27 0.00 -0.47 0.00 0.00 55.73 55.12 3h1t s ARG 142 Cb 0.19 0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 3h1t s ARG 142 CO 0.53 -0.08 1.14 -0.06 -1.08 0.00 0.00 175.30 175.75 3h1t s PHE 143 N -2.20 3.28 0.86 5.89 0.08 -1.26 -5.02 117.98 119.60 3h1t s PHE 143 Ca 0.13 1.60 -0.11 0.00 0.12 0.00 0.00 56.93 58.68 3h1t s PHE 143 Cb 0.04 -3.35 0.11 0.00 -0.57 0.00 0.00 43.02 39.25 3h1t s PHE 143 CO -0.05 -1.00 1.10 -2.14 -0.10 0.00 0.00 175.22 173.04 3h1t s PRO 144 N -1.97 1.53 0.38 0.24 0.02 -1.26 -4.83 135.00 129.10 3h1t s PRO 144 Ca 0.52 1.19 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 3h1t s PRO 144 Cb -0.31 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3h1t s PRO 144 CO 0.39 -2.16 0.61 0.95 -0.33 0.00 0.00 177.00 176.46 3h1t s THR 145 N -2.81 5.05 0.26 0.99 -4.23 -1.26 -4.93 115.64 108.71 3h1t s THR 145 Ca 0.64 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3h1t s THR 145 Cb -0.19 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.04 3h1t s THR 145 CO 0.57 -0.62 1.72 -0.65 -0.54 0.00 0.00 174.62 175.11 3h1t h PRO 146 N 0.69 0.44 -0.48 3.99 0.11 -1.84 -1.43 132.00 133.48 3h1t h PRO 146 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3h1t h PRO 146 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3h1t h PRO 146 CO 0.62 0.29 0.15 0.22 -0.21 0.00 0.00 178.00 179.07 3h1t h ASP 147 N 0.46 0.70 -0.14 -2.05 1.82 -1.93 -1.78 116.42 113.49 3h1t h ASP 147 Ca 0.48 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 3h1t h ASP 147 Cb 0.79 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 3h1t h ASP 147 CO -0.45 0.72 0.10 -0.33 -1.61 0.00 0.00 179.24 177.67 3h1t h GLU 148 N 0.64 0.19 -0.51 0.28 5.08 -1.67 -0.94 114.58 117.65 3h1t h GLU 148 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3h1t h GLU 148 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3h1t h GLU 148 CO -0.00 0.13 0.15 -0.07 -1.00 0.00 0.00 179.01 178.22 3h1t h LEU 149 N 0.20 0.75 -1.33 1.33 3.38 -1.30 -1.82 115.31 116.51 3h1t h LEU 149 Ca 0.05 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3h1t h LEU 149 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h1t h LEU 149 CO -0.01 0.76 -0.17 0.15 0.09 0.00 0.00 178.44 179.26 3h1t h PHE 150 N 0.70 0.25 -0.09 1.13 3.57 -1.20 0.34 116.94 121.62 3h1t h PHE 150 Ca 0.16 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 3h1t h PHE 150 Cb 0.28 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3h1t h PHE 150 CO 0.02 0.40 -0.58 0.87 -2.23 0.00 0.00 178.31 176.80 3h1t h LYS 151 N 0.22 0.30 -0.21 1.11 1.79 -0.92 -0.90 116.57 117.95 3h1t h LYS 151 Ca 0.04 -0.19 -0.17 0.00 -2.18 0.00 0.00 60.65 58.15 3h1t h LYS 151 Cb 0.44 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3h1t h LYS 151 CO 0.03 0.79 -0.53 0.00 -1.08 0.00 0.00 179.45 178.66 3h1t h ARG 152 N 0.23 0.73 -0.21 3.15 3.08 -0.41 -2.32 114.38 118.62 3h1t h ARG 152 Ca -0.00 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 3h1t h ARG 152 Cb 1.08 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3h1t h ARG 152 CO 0.09 1.13 0.09 1.25 -1.07 0.00 0.00 179.97 181.46 3h1t h LEU 153 N 0.45 0.28 -0.87 3.04 7.12 -0.22 -2.40 115.31 122.70 3h1t h LEU 153 Ca -0.01 -0.15 -0.12 0.00 0.13 0.00 0.00 57.88 57.74 3h1t h LEU 153 Cb 1.15 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 3h1t h LEU 153 CO 0.12 0.35 -0.44 0.00 -0.13 0.00 0.00 178.44 178.34 3h1t h GLY 155 N 1.25 0.43 1.77 0.00 0.00 -1.27 0.22 103.07 105.46 3h1t h GLY 155 Ca 0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 3h1t h GLY 155 CO 0.07 0.27 -0.56 -1.80 0.00 0.00 0.00 176.54 174.52 3h1t h ASP 156 N 0.20 0.27 0.67 0.19 3.58 -1.43 -3.04 116.42 116.86 3h1t h ASP 156 Ca 0.07 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.37 3h1t h ASP 156 Cb 0.34 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3h1t h ASP 156 CO 0.01 0.78 -0.40 1.21 -2.88 0.00 0.00 179.24 177.96 3h1t n GLU 157 N -3.91 0.04 -2.93 0.28 4.07 -0.89 -5.01 120.64 112.30 3h1t n GLU 157 Ca -0.02 0.01 -0.06 0.00 -0.06 0.00 0.00 57.16 57.03 3h1t n GLU 157 Cb 0.59 -1.53 0.03 0.00 -0.06 0.00 0.00 31.44 30.47 3h1t n GLU 157 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h1t n GLY 158 N 1.48 -1.02 3.08 8.31 0.00 0.72 -4.93 105.19 112.84 3h1t n GLY 158 Ca 0.06 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 3h1t n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1t s ILE 159 N -3.15 1.92 0.81 -0.61 1.01 -0.90 -4.75 121.20 115.52 3h1t s ILE 159 Ca 0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3h1t s ILE 159 Cb -0.02 -1.83 0.08 0.00 0.01 0.00 0.00 42.46 40.70 3h1t s ILE 159 CO 0.65 0.39 1.17 -0.54 0.00 0.00 0.00 174.94 176.61 3h1t s LYS 160 N 1.32 1.74 0.38 2.79 1.02 -1.26 -4.86 119.74 120.87 3h1t s LYS 160 Ca 0.02 1.59 0.05 0.00 0.02 0.00 0.00 55.97 57.65 3h1t s LYS 160 Cb -0.14 -1.80 0.76 0.00 -0.52 0.00 0.00 37.83 36.12 3h1t s LYS 160 CO -0.11 -2.11 2.03 -0.44 -0.92 0.00 0.00 175.35 173.81 3h1t h ASP 161 N -1.01 0.58 0.09 2.83 3.32 -2.01 -1.74 116.42 118.48 3h1t h ASP 161 Ca -0.45 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 3h1t h ASP 161 Cb 1.28 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3h1t h ASP 161 CO 0.47 0.43 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.04 3h1t h GLU 162 N 0.69 0.00 -0.20 3.56 3.07 -2.05 -2.49 114.58 117.16 3h1t h GLU 162 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3h1t h GLU 162 Cb -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3h1t h GLU 162 CO -0.04 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 3h1t n ASP 163 N -3.99 2.71 0.02 1.42 8.00 -0.66 -4.38 116.55 119.67 3h1t n ASP 163 Ca -0.03 -1.87 0.02 0.00 0.71 0.00 0.00 54.79 53.62 3h1t n ASP 163 Cb 0.13 -0.12 0.36 0.00 -0.02 0.00 0.00 41.12 41.47 3h1t n ASP 163 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h1t h LEU 164 N 3.80 0.44 -0.37 0.64 3.38 -1.42 -1.93 115.31 119.86 3h1t h LEU 164 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h1t h LEU 164 Cb 0.82 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h1t h LEU 164 CO 0.00 0.45 0.00 0.44 0.09 0.00 0.00 178.44 179.42 3h1t h ASP 165 N 0.48 0.00 0.14 -0.43 5.19 -1.80 -2.13 116.42 117.86 3h1t h ASP 165 Ca 0.11 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.27 3h1t h ASP 165 Cb 0.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.71 3h1t h ASP 165 CO -0.00 0.00 -1.22 0.74 -3.12 0.00 0.00 179.24 175.64 3h1t h THR 166 N 0.00 1.22 -0.70 0.35 2.02 -1.74 -1.84 112.91 112.22 3h1t h THR 166 Ca 0.00 -2.48 0.11 0.00 0.77 0.00 0.00 66.41 64.81 3h1t h THR 166 Cb 0.79 2.92 -0.05 0.00 -1.74 0.00 0.00 68.15 70.07 3h1t h THR 166 CO 0.00 0.72 0.46 0.25 0.37 0.00 0.00 175.52 177.33 3h1t h LEU 167 N -0.28 0.47 -2.09 2.58 5.85 -1.25 -1.15 115.31 119.44 3h1t h LEU 167 Ca -0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3h1t h LEU 167 Cb 1.77 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3h1t h LEU 167 CO 0.11 0.27 0.00 0.18 -0.34 0.00 0.00 178.44 178.67 3h1t n LEU 168 N -4.48 3.12 -4.66 2.25 4.77 -0.81 -4.98 117.00 112.20 3h1t n LEU 168 Ca 0.12 -1.25 -0.52 0.00 -0.03 0.00 0.00 56.01 54.33 3h1t n LEU 168 Cb 0.39 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 3h1t n LEU 168 CO 0.33 0.60 1.21 -0.24 -1.33 0.00 0.00 177.39 177.96 3h1t n SER 169 N 1.33 2.48 -4.66 -1.43 2.88 -0.44 -4.88 113.62 108.90 3h1t n SER 169 Ca 0.16 1.07 -0.39 0.00 -1.33 0.00 0.00 58.87 58.38 3h1t n SER 169 Cb 0.57 -1.25 0.04 0.00 -0.75 0.00 0.00 64.21 62.82 3h1t n SER 169 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3h1t n PRO 170 N 4.44 1.33 -1.35 -1.46 -0.02 -1.26 -4.82 135.00 131.86 3h1t n PRO 170 Ca 0.22 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 3h1t n PRO 170 Cb 0.20 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 31.60 3h1t n PRO 170 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3h1t s TYR 171 N -1.37 1.16 -0.30 6.00 2.02 -1.26 -4.56 117.35 119.04 3h1t s TYR 171 Ca 0.71 0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 3h1t s TYR 171 Cb -0.45 -3.59 -0.02 0.00 -0.40 0.00 0.00 41.96 37.50 3h1t s TYR 171 CO 0.51 -3.31 0.16 -1.58 -1.57 0.00 0.00 175.55 169.75 3h1t s HIS 172 N -3.25 3.18 0.38 2.71 5.65 -1.26 -5.06 115.29 117.64 3h1t s HIS 172 Ca 0.70 -0.42 0.08 0.00 0.25 0.00 0.00 55.06 55.67 3h1t s HIS 172 Cb -0.10 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 28.92 3h1t s HIS 172 CO 0.55 -0.39 0.29 -1.01 -0.65 0.00 0.00 174.74 173.53 3h1t s HIS 173 N 1.65 2.76 -1.19 3.88 3.76 -1.26 -4.99 115.29 119.90 3h1t s HIS 173 Ca 0.05 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.47 3h1t s HIS 173 Cb -0.17 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 3h1t s HIS 173 CO 0.07 0.08 0.81 0.28 -0.85 0.00 0.00 174.74 175.13 3h1t n VAL 174 N -1.40 -6.20 -3.76 -0.90 0.31 -1.26 -5.26 118.33 99.87 3h1t n VAL 174 Ca 0.00 -0.85 -0.12 0.00 -0.01 0.00 0.00 64.34 63.36 3h1t n VAL 174 Cb 0.61 -4.75 -0.12 0.00 -0.91 0.00 0.00 33.84 28.67 3h1t n VAL 174 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3h1t s PRO 179 N -5.51 0.29 1.05 5.55 0.04 -1.26 -5.28 135.00 129.87 3h1t s PRO 179 Ca 0.24 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 3h1t s PRO 179 Cb -0.06 0.06 0.17 0.00 0.04 0.00 0.00 34.50 34.71 3h1t s PRO 179 CO 0.80 -0.08 0.75 0.54 0.04 0.00 0.00 177.00 179.04 3h1t n ARG 180 N 3.41 -1.31 -0.27 4.56 1.74 -1.26 -4.70 116.66 118.83 3h1t n ARG 180 Ca -0.17 -0.34 0.04 0.00 -0.77 0.00 0.00 57.85 56.60 3h1t n ARG 180 Cb 0.56 -2.08 0.17 0.00 -1.02 0.00 0.00 32.46 30.10 3h1t n ARG 180 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3h1t h TYR 181 N -2.13 0.72 0.00 -1.55 -0.00 -2.00 -2.15 116.97 109.85 3h1t h TYR 181 Ca -0.51 0.03 -0.14 0.00 -0.00 0.00 0.00 58.73 58.11 3h1t h TYR 181 Cb 1.31 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 37.82 3h1t h TYR 181 CO 0.34 0.24 -0.67 0.10 -0.00 0.00 0.00 178.16 178.16 3h1t h TYR 182 N 0.65 0.00 -0.26 0.10 -0.00 -1.91 -2.53 116.97 113.02 3h1t h TYR 182 Ca 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 59.03 3h1t h TYR 182 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.18 3h1t h TYR 182 CO -0.10 0.67 -0.28 1.96 -0.00 0.00 0.00 178.16 180.42 3h1t h GLN 183 N 0.00 0.51 -0.52 0.10 4.20 -1.77 -1.74 115.11 115.89 3h1t h GLN 183 Ca -0.01 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 3h1t h GLN 183 Cb 1.19 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3h1t h GLN 183 CO 0.09 0.74 -0.12 1.96 -0.67 0.00 0.00 178.83 180.83 3h1t h GLN 184 N 0.45 0.99 0.20 1.46 4.20 -1.23 0.92 115.11 122.09 3h1t h GLN 184 Ca 0.06 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3h1t h GLN 184 Cb 0.72 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3h1t h GLN 184 CO 0.06 1.04 -0.09 0.82 -0.67 0.00 0.00 178.83 179.98 3h1t h ILE 185 N 0.88 0.81 0.08 2.54 1.08 -1.09 -0.50 117.51 121.32 3h1t h ILE 185 Ca 0.14 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.63 3h1t h ILE 185 Cb 0.67 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 3h1t h ILE 185 CO 0.05 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 177.24 3h1t h ALA 186 N 0.54 -0.44 -0.24 1.87 0.00 -1.17 -1.51 119.26 118.32 3h1t h ALA 186 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3h1t h ALA 186 Cb 0.20 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3h1t h ALA 186 CO 0.04 -0.80 -0.01 0.82 0.00 0.00 0.00 179.25 179.30 3h1t h ILE 187 N -0.46 0.81 -0.52 0.00 2.04 -0.66 -2.19 117.51 116.54 3h1t h ILE 187 Ca 0.04 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3h1t h ILE 187 Cb 0.51 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3h1t h ILE 187 CO -0.18 0.01 0.02 0.78 0.00 0.00 0.00 178.15 178.78 3h1t h ASN 188 N 0.06 0.84 0.84 1.72 4.21 -0.95 -2.07 115.58 120.23 3h1t h ASN 188 Ca 0.11 -0.20 -0.08 0.00 1.21 0.00 0.00 56.30 57.34 3h1t h ASN 188 Cb 0.15 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 3h1t h ASN 188 CO -0.20 0.89 -0.37 0.03 -1.29 0.00 0.00 177.43 176.49 3h1t h ARG 189 N 0.81 0.00 0.08 0.81 3.08 -1.10 -0.02 114.38 118.04 3h1t h ARG 189 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3h1t h ARG 189 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3h1t h ARG 189 CO 0.02 0.37 -0.04 0.00 -1.07 0.00 0.00 179.97 179.25 3h1t h ALA 190 N 1.63 -0.11 -0.91 0.04 0.00 -1.15 0.08 119.26 118.84 3h1t h ALA 190 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3h1t h ALA 190 Cb 0.89 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3h1t h ALA 190 CO 0.05 -0.24 0.60 0.28 0.00 0.00 0.00 179.25 179.93 3h1t h VAL 191 N -0.74 1.19 -0.12 0.00 2.07 -1.32 -1.14 116.25 116.19 3h1t h VAL 191 Ca -0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3h1t h VAL 191 Cb 0.58 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3h1t h VAL 191 CO 0.02 0.22 0.02 -0.61 0.02 0.00 0.00 177.57 177.23 3h1t h GLN 192 N 1.18 0.19 -0.37 1.57 4.15 -1.01 -1.75 115.11 119.08 3h1t h GLN 192 Ca 0.35 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.79 3h1t h GLN 192 Cb -0.06 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.55 3h1t h GLN 192 CO -0.09 0.38 -0.05 0.77 -1.93 0.00 0.00 178.83 177.91 3h1t h SER 193 N -0.03 -0.26 -0.67 -0.69 0.02 -0.28 -1.42 113.55 110.22 3h1t h SER 193 Ca 0.04 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3h1t h SER 193 Cb 0.28 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3h1t h SER 193 CO 0.00 -0.09 0.41 0.58 -1.14 0.00 0.00 176.83 176.59 3h1t h VAL 194 N 0.04 1.19 0.00 2.27 2.07 -1.15 -1.73 116.25 118.95 3h1t h VAL 194 Ca 0.18 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3h1t h VAL 194 Cb 0.27 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3h1t h VAL 194 CO -0.35 0.20 -0.08 -0.07 0.02 0.00 0.00 177.57 177.29 3h1t h LEU 195 N 0.91 0.00 -0.54 2.57 3.38 -0.60 -1.58 115.31 119.45 3h1t h LEU 195 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3h1t h LEU 195 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h1t h LEU 195 CO -0.05 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.39 3h1t n GLN 196 N -3.45 0.98 -1.02 1.13 6.02 -0.60 -4.89 117.38 115.55 3h1t n GLN 196 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 3h1t n GLN 196 Cb 0.23 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3h1t n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1t n GLY 197 N 1.29 0.71 3.49 1.08 0.00 -0.59 -5.02 105.19 106.15 3h1t n GLY 197 Ca 0.14 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3h1t n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1t s LYS 198 N -2.18 3.22 0.00 1.61 1.02 -0.77 -4.89 119.74 117.74 3h1t s LYS 198 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.48 3h1t s LYS 198 Cb 0.00 -4.14 0.01 0.00 -0.52 0.00 0.00 37.83 33.18 3h1t s LYS 198 CO 0.00 -1.70 0.85 1.63 -0.92 0.00 0.00 175.35 175.21 3h1t n LYS 199 N 7.77 0.84 -3.19 1.68 5.02 -1.26 -4.46 118.16 124.55 3h1t n LYS 199 Ca -0.01 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.29 3h1t n LYS 199 Cb 0.47 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 3h1t n LYS 199 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3h1t s ARG 200 N -2.00 0.52 0.09 1.97 6.06 -1.25 -2.36 118.95 121.98 3h1t s ARG 200 Ca 0.00 0.51 0.08 0.00 -2.50 0.00 0.00 55.73 53.83 3h1t s ARG 200 Cb 0.00 0.14 -0.03 0.00 0.06 0.00 0.00 34.95 35.12 3h1t s ARG 200 CO 0.00 -0.98 -0.21 -1.12 -2.50 0.00 0.00 175.30 170.49 3h1t s SER 201 N 2.76 2.55 0.02 -2.12 0.01 -0.31 -4.75 113.70 111.86 3h1t s SER 201 Ca 0.11 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 56.80 3h1t s SER 201 Cb -0.11 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 3h1t s SER 201 CO -0.26 0.08 -0.25 -0.22 0.41 0.00 0.00 173.24 172.99 3h1t s LEU 202 N -1.79 2.17 -0.07 2.44 2.96 -1.26 0.08 118.68 123.22 3h1t s LEU 202 Ca 0.07 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3h1t s LEU 202 Cb -0.10 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.29 3h1t s LEU 202 CO 0.04 0.28 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.64 3h1t s ILE 203 N -0.75 0.84 0.29 6.68 1.01 0.17 -0.19 121.20 129.24 3h1t s ILE 203 Ca 0.11 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.59 3h1t s ILE 203 Cb -0.10 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3h1t s ILE 203 CO 0.01 0.30 0.09 -0.89 0.00 0.00 0.00 174.94 174.46 3h1t s THR 204 N 1.08 3.48 -0.01 2.92 2.01 -0.75 -1.11 115.64 123.25 3h1t s THR 204 Ca -0.08 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.22 3h1t s THR 204 Cb -0.14 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 3h1t s THR 204 CO -0.01 -0.29 -0.04 0.00 -0.69 0.00 0.00 174.62 173.58 3h1t s ALA 206 N -2.33 3.10 0.26 7.40 0.00 -0.26 -0.81 121.76 129.13 3h1t s ALA 206 Ca 0.34 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 3h1t s ALA 206 Cb -0.05 -1.21 -0.13 0.00 0.00 0.00 0.00 23.12 21.73 3h1t s ALA 206 CO 0.22 0.62 1.48 -2.37 0.00 0.00 0.00 175.76 175.70 3h1t n THR 207 N 1.58 1.02 -0.56 0.00 5.66 -1.26 -2.59 114.28 118.13 3h1t n THR 207 Ca -0.15 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3h1t n THR 207 Cb 0.53 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 3h1t n THR 207 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1t n GLY 208 N 2.10 0.66 0.37 1.09 0.00 -1.26 -4.92 105.19 103.24 3h1t n GLY 208 Ca 0.10 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.65 3h1t n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1t n THR 209 N -2.56 0.00 0.00 2.61 -2.24 -1.07 -4.97 114.28 106.06 3h1t n THR 209 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3h1t n THR 209 Cb 0.00 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3h1t n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1t n GLY 210 N 0.83 1.50 0.35 3.38 0.00 -1.26 -4.94 105.19 105.05 3h1t n GLY 210 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3h1t n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1t h LYS 211 N 0.00 0.54 -0.08 1.61 1.57 -1.95 -1.27 116.57 116.99 3h1t h LYS 211 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3h1t h LYS 211 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3h1t h LYS 211 CO 0.00 0.36 -0.60 1.15 -0.57 0.00 0.00 179.45 179.79 3h1t h THR 212 N 0.56 1.38 -0.65 -0.16 2.02 -1.98 -0.29 112.91 113.79 3h1t h THR 212 Ca 0.28 -1.95 -0.04 0.00 0.77 0.00 0.00 66.41 65.47 3h1t h THR 212 Cb 0.38 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3h1t h THR 212 CO -0.09 0.58 0.26 0.58 0.37 0.00 0.00 175.52 177.22 3h1t h VAL 213 N 0.21 1.24 -0.06 3.16 2.07 -1.64 -0.46 116.25 120.77 3h1t h VAL 213 Ca -0.01 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3h1t h VAL 213 Cb 1.11 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3h1t h VAL 213 CO 0.10 0.30 -0.00 0.58 0.02 0.00 0.00 177.57 178.56 3h1t h VAL 214 N 0.92 1.26 -0.66 2.57 2.07 -1.29 -1.83 116.25 119.30 3h1t h VAL 214 Ca 0.22 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 67.03 3h1t h VAL 214 Cb 0.21 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3h1t h VAL 214 CO -0.02 0.22 0.27 0.00 0.02 0.00 0.00 177.57 178.07 3h1t h ALA 215 N 0.71 0.88 -0.13 1.67 0.00 -0.82 -1.79 119.26 119.77 3h1t h ALA 215 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h1t h ALA 215 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h1t h ALA 215 CO 0.00 -0.16 0.02 0.35 0.00 0.00 0.00 179.25 179.46 3h1t h PHE 216 N 0.46 0.24 0.00 0.00 3.57 -1.03 -2.91 116.94 117.27 3h1t h PHE 216 Ca 0.33 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 3h1t h PHE 216 Cb 0.41 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3h1t h PHE 216 CO -0.15 0.42 -0.33 1.96 -2.23 0.00 0.00 178.31 177.97 3h1t h GLN 217 N -0.01 0.00 -0.09 1.11 1.08 -1.02 0.33 115.11 116.51 3h1t h GLN 217 Ca 0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3h1t h GLN 217 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3h1t h GLN 217 CO 0.00 0.33 -0.03 0.82 -0.95 0.00 0.00 178.83 179.01 3h1t h ILE 218 N 0.00 1.30 -0.19 2.54 2.04 -1.35 -0.56 117.51 121.30 3h1t h ILE 218 Ca -0.00 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.91 3h1t h ILE 218 Cb 0.68 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3h1t h ILE 218 CO 0.04 0.27 0.04 0.28 0.00 0.00 0.00 178.15 178.78 3h1t h SER 219 N -0.16 0.01 -0.02 1.72 0.02 -1.28 -1.56 113.55 112.28 3h1t h SER 219 Ca 0.02 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3h1t h SER 219 Cb 0.44 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3h1t h SER 219 CO 0.01 0.03 0.01 -0.25 -1.14 0.00 0.00 176.83 175.49 3h1t h TRP 220 N 0.11 0.02 -0.04 3.45 2.91 -0.89 0.23 115.95 121.74 3h1t h TRP 220 Ca 0.08 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.14 3h1t h TRP 220 Cb 0.08 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 3h1t h TRP 220 CO -0.14 0.06 -0.33 0.87 -1.03 0.00 0.00 178.44 177.88 3h1t h LYS 221 N -0.03 -0.44 -0.31 2.65 1.57 -0.85 -1.06 116.57 118.10 3h1t h LYS 221 Ca 0.01 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3h1t h LYS 221 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3h1t h LYS 221 CO -0.00 -0.30 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.22 3h1t h LEU 222 N -0.46 0.65 0.37 2.94 3.38 -1.22 -2.96 115.31 118.01 3h1t h LEU 222 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3h1t h LEU 222 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3h1t h LEU 222 CO -0.30 0.91 -0.18 -0.25 0.09 0.00 0.00 178.44 178.72 3h1t h TRP 223 N 0.55 -0.45 -0.34 1.13 7.01 -0.18 -1.65 115.95 122.01 3h1t h TRP 223 Ca 0.07 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.16 3h1t h TRP 223 Cb 0.78 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 3h1t h TRP 223 CO 0.03 -0.28 0.43 0.66 -2.79 0.00 0.00 178.44 176.49 3h1t h SER 224 N -0.63 0.00 0.33 2.65 4.64 -1.33 0.23 113.55 119.44 3h1t h SER 224 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3h1t h SER 224 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h1t h SER 224 CO 0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.93 3h1t n ALA 225 N -2.26 2.77 -2.72 5.18 0.00 -1.12 -4.92 120.51 117.44 3h1t n ALA 225 Ca 0.06 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 3h1t n ALA 225 Cb 0.58 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.73 3h1t n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h1t n ARG 226 N -0.89 -3.21 -2.60 0.00 5.12 0.81 -4.88 116.66 111.00 3h1t n ARG 226 Ca 0.15 0.71 -0.33 0.00 -1.93 0.00 0.00 57.85 56.45 3h1t n ARG 226 Cb 0.28 -5.12 -0.05 0.00 -1.16 0.00 0.00 32.46 26.41 3h1t n ARG 226 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 3h1t s TRP 227 N -2.98 3.34 -0.06 -1.55 -0.00 -0.63 -4.72 118.94 112.34 3h1t s TRP 227 Ca 0.18 1.55 -0.31 0.00 -0.00 0.00 0.00 56.10 57.51 3h1t s TRP 227 Cb -0.08 -2.84 0.12 0.00 -0.00 0.00 0.00 33.47 30.67 3h1t s TRP 227 CO 0.22 -0.29 1.19 0.54 -0.00 0.00 0.00 176.95 178.61 3h1t s ASN 228 N -2.56 -0.12 0.25 5.86 6.03 -1.26 -3.40 114.94 119.73 3h1t s ASN 228 Ca 0.61 -0.11 -0.04 0.00 -1.03 0.00 0.00 52.86 52.29 3h1t s ASN 228 Cb -0.10 0.21 0.39 0.00 -3.03 0.00 0.00 41.25 38.72 3h1t s ASN 228 CO 0.22 -0.37 1.82 0.03 -2.03 0.00 0.00 177.10 176.77 3h1t h ARG 229 N 2.00 0.84 0.00 3.55 3.08 -1.95 -3.14 114.38 118.76 3h1t h ARG 229 Ca -0.21 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.55 3h1t h ARG 229 Cb 1.20 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 3h1t h ARG 229 CO 0.26 0.56 -1.24 1.79 -1.07 0.00 0.00 179.97 180.27 3h1t h THR 230 N 0.87 1.35 0.00 2.04 1.35 -2.00 -3.49 112.91 113.03 3h1t h THR 230 Ca 0.40 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 3h1t h THR 230 Cb 0.32 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3h1t h THR 230 CO -0.23 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3h1t n GLY 231 N 1.42 0.98 0.00 5.82 0.00 -1.19 -5.09 105.19 107.13 3h1t n GLY 231 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3h1t n GLY 231 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1t n ASP 232 N 0.98 0.00 0.06 1.61 5.75 -1.26 -5.02 116.55 118.67 3h1t n ASP 232 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 3h1t n ASP 232 Cb 0.14 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.30 3h1t n ASP 232 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3h1t n TYR 233 N 0.00 0.59 -1.54 2.11 4.01 -1.26 -4.86 117.16 116.21 3h1t n TYR 233 Ca 0.00 0.17 -0.39 0.00 -0.16 0.00 0.00 57.90 57.52 3h1t n TYR 233 Cb 0.00 -0.68 0.03 0.00 -0.31 0.00 0.00 39.34 38.38 3h1t n TYR 233 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1t n ARG 234 N -2.24 0.81 -1.36 -0.72 5.12 -1.26 -4.84 116.66 112.18 3h1t n ARG 234 Ca 0.02 0.31 -0.32 0.00 -1.93 0.00 0.00 57.85 55.92 3h1t n ARG 234 Cb 0.47 -1.89 0.09 0.00 -1.16 0.00 0.00 32.46 29.97 3h1t n ARG 234 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3h1t s LYS 235 N -2.21 2.24 0.57 5.56 -0.14 -1.26 -4.55 119.74 119.95 3h1t s LYS 235 Ca 0.69 1.36 -0.08 0.00 -1.36 0.00 0.00 55.97 56.58 3h1t s LYS 235 Cb -0.48 -1.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 3h1t s LYS 235 CO 0.53 -1.68 0.91 -1.25 -0.76 0.00 0.00 175.35 173.10 3h1t s PRO 236 N -4.51 3.35 -0.17 -1.68 0.04 -1.22 -4.97 135.00 125.85 3h1t s PRO 236 Ca 0.65 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 3h1t s PRO 236 Cb -0.20 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 3h1t s PRO 236 CO 0.51 -0.50 -0.05 0.50 0.04 0.00 0.00 177.00 177.50 3h1t s ARG 237 N -4.98 3.56 -0.06 4.56 3.52 -1.26 -4.79 118.95 119.49 3h1t s ARG 237 Ca 0.52 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 3h1t s ARG 237 Cb -0.11 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3h1t s ARG 237 CO 0.48 0.12 -0.13 0.42 -0.81 0.00 0.00 175.30 175.37 3h1t s ILE 238 N 0.67 1.22 -0.21 4.11 -1.09 -0.53 -0.07 121.20 125.31 3h1t s ILE 238 Ca -0.03 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.82 3h1t s ILE 238 Cb -0.15 -1.10 -0.01 0.00 -1.58 0.00 0.00 42.46 39.62 3h1t s ILE 238 CO 0.02 0.37 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.84 3h1t s LEU 239 N 0.57 2.92 -0.21 2.97 2.96 -0.42 -0.01 118.68 127.46 3h1t s LEU 239 Ca -0.14 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 3h1t s LEU 239 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3h1t s LEU 239 CO 0.04 0.01 0.08 0.12 -1.32 0.00 0.00 176.35 175.28 3h1t s PHE 240 N 1.29 3.20 -0.08 5.38 5.36 0.13 -0.68 117.98 132.58 3h1t s PHE 240 Ca 0.04 -0.06 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 3h1t s PHE 240 Cb -0.14 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.38 3h1t s PHE 240 CO -0.02 -0.02 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.97 3h1t s LEU 241 N 0.86 2.07 0.00 6.12 1.43 -0.55 -1.47 118.68 127.13 3h1t s LEU 241 Ca 0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3h1t s LEU 241 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3h1t s LEU 241 CO 0.02 0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.79 3h1t n ALA 242 N 3.33 0.00 -2.41 4.21 0.00 -1.04 -0.26 120.51 124.34 3h1t n ALA 242 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 3h1t n ALA 242 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 3h1t n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h1t n ASP 243 N 0.00 -0.39 0.00 0.00 -0.08 -1.26 -3.27 116.55 111.55 3h1t n ASP 243 Ca 0.00 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.21 3h1t n ASP 243 Cb 0.00 0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.65 3h1t n ASP 243 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3h1t n THR 255 N -0.44 0.00 0.66 5.18 -1.04 -1.26 -4.99 114.28 112.40 3h1t n THR 255 Ca -0.14 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.98 3h1t n THR 255 Cb 0.85 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 69.63 3h1t n THR 255 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3h1t n PHE 256 N -0.14 0.40 -0.34 -1.42 3.01 -1.26 -4.51 117.46 113.21 3h1t n PHE 256 Ca 0.00 -0.20 0.29 0.00 1.01 0.00 0.00 57.45 58.55 3h1t n PHE 256 Cb 0.00 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.09 3h1t n PHE 256 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3h1t h THR 257 N 3.53 0.43 0.00 4.37 2.02 -2.05 0.16 112.91 121.38 3h1t h THR 257 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3h1t h THR 257 Cb 0.78 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3h1t h THR 257 CO 0.00 0.04 0.29 -0.65 0.37 0.00 0.00 175.52 175.57 3h1t h PRO 258 N 0.21 0.00 0.13 6.66 0.11 -2.05 -1.69 132.00 135.36 3h1t h PRO 258 Ca 0.61 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.46 3h1t h PRO 258 Cb 1.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.03 3h1t h PRO 258 CO -0.20 0.00 -1.28 0.74 -0.21 0.00 0.00 178.00 177.05 3h1t h PHE 259 N 0.00 0.49 0.00 0.65 0.04 -1.32 -3.50 116.94 113.29 3h1t h PHE 259 Ca 0.00 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3h1t h PHE 259 Cb 0.58 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.71 3h1t h PHE 259 CO 0.00 1.50 0.00 0.41 -0.60 0.00 0.00 178.31 179.62 3h1t n GLY 260 N 1.72 0.00 3.24 -1.45 0.00 -0.64 -3.22 105.19 104.85 3h1t n GLY 260 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3h1t n GLY 260 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1t n ASP 261 N 0.43 0.00 -0.02 1.61 9.92 -1.26 -4.52 116.55 122.71 3h1t n ASP 261 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.34 3h1t n ASP 261 Cb 0.00 -0.32 -0.16 0.00 -0.64 0.00 0.00 41.12 40.00 3h1t n ASP 261 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h1t n ALA 262 N 0.58 2.59 -1.77 2.24 0.00 -1.20 -4.79 120.51 118.16 3h1t n ALA 262 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 3h1t n ALA 262 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3h1t n ALA 262 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1t s ARG 263 N -3.30 4.17 -0.29 0.00 0.52 -1.25 0.91 118.95 119.70 3h1t s ARG 263 Ca -0.08 1.71 -0.13 0.00 -0.52 0.00 0.00 55.73 56.72 3h1t s ARG 263 Cb 0.12 -2.69 0.12 0.00 0.52 0.00 0.00 34.95 33.02 3h1t s ARG 263 CO 0.85 -0.19 0.73 -1.58 0.02 0.00 0.00 175.30 175.13 3h1t s HIS 264 N -1.47 -1.13 -0.05 -0.53 2.46 0.17 -4.88 115.29 109.87 3h1t s HIS 264 Ca 0.56 2.05 -0.13 0.00 0.47 0.00 0.00 55.06 58.01 3h1t s HIS 264 Cb -0.28 0.68 -0.05 0.00 -0.13 0.00 0.00 32.58 32.80 3h1t s HIS 264 CO 0.35 -0.56 0.33 0.21 -2.47 0.00 0.00 174.74 172.59 3h1t s LYS 265 N 2.40 3.82 -0.47 2.88 2.20 -1.26 -1.52 119.74 127.79 3h1t s LYS 265 Ca -0.07 0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.57 3h1t s LYS 265 Cb -0.09 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3h1t s LYS 265 CO -0.19 0.68 0.73 0.42 -0.36 0.00 0.00 175.35 176.63 3h1t s ILE 266 N -0.93 4.71 0.36 5.43 1.01 -0.61 -4.93 121.20 126.24 3h1t s ILE 266 Ca 0.21 0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.06 3h1t s ILE 266 Cb -0.15 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 3h1t s ILE 266 CO 0.10 -0.74 0.06 -1.61 0.00 0.00 0.00 174.94 172.76 3h1t s GLU 267 N 3.11 1.76 0.00 2.79 2.02 -1.26 -4.74 118.70 122.38 3h1t s GLU 267 Ca 0.25 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 53.23 3h1t s GLU 267 Cb -0.14 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.16 3h1t s GLU 267 CO 0.19 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3h1t n GLY 268 N -0.79 0.00 0.00 -1.39 0.00 -1.26 -5.08 105.19 96.67 3h1t n GLY 268 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3h1t n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1t n VAL 271 N 0.00 0.00 -3.02 1.61 0.31 -1.26 -5.13 118.33 110.84 3h1t n VAL 271 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3h1t n VAL 271 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3h1t n VAL 271 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3h1t s VAL 272 N 0.00 4.93 -0.42 2.52 1.01 -1.26 -4.97 120.40 122.21 3h1t s VAL 272 Ca 0.00 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.36 3h1t s VAL 272 Cb 0.00 -4.01 0.57 0.00 0.00 0.00 0.00 36.38 32.93 3h1t s VAL 272 CO 0.00 0.01 1.75 2.29 0.00 0.00 0.00 175.10 179.15 3h1t n LYS 273 N 5.62 2.26 -0.00 2.72 2.85 -1.26 -4.48 118.16 125.87 3h1t n LYS 273 Ca 0.02 -3.19 0.02 0.00 -1.05 0.00 0.00 58.31 54.10 3h1t n LYS 273 Cb 0.49 -2.08 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 3h1t n LYS 273 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3h1t n SER 274 N -1.08 4.08 -3.07 -5.58 3.41 -1.26 -5.06 113.62 105.05 3h1t n SER 274 Ca 0.51 -0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.93 3h1t n SER 274 Cb 1.26 1.14 0.12 0.00 -0.26 0.00 0.00 64.21 66.48 3h1t n SER 274 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h1t n ARG 275 N -1.59 -1.21 0.00 4.33 5.12 -1.26 -5.07 116.66 116.98 3h1t n ARG 275 Ca -0.01 -1.09 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 3h1t n ARG 275 Cb 0.08 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 3h1t n ARG 275 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3h1t n GLU 276 N -2.84 0.12 -3.87 5.56 1.02 0.26 -5.01 120.64 115.88 3h1t n GLU 276 Ca 0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.87 3h1t n GLU 276 Cb 0.33 -0.91 -0.13 0.00 -0.02 0.00 0.00 31.44 30.70 3h1t n GLU 276 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3h1t s ILE 277 N -1.82 3.22 0.02 -3.67 1.09 0.26 -1.46 121.20 118.84 3h1t s ILE 277 Ca 0.00 -1.22 0.01 0.00 -1.10 0.00 0.00 60.65 58.34 3h1t s ILE 277 Cb 0.00 -2.80 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 3h1t s ILE 277 CO 0.00 -0.06 0.07 -0.31 -0.10 0.00 0.00 174.94 174.54 3h1t s TYR 278 N 1.32 3.23 0.04 3.97 1.51 0.99 -0.65 117.35 127.76 3h1t s TYR 278 Ca -0.03 0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.25 3h1t s TYR 278 Cb -0.19 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3h1t s TYR 278 CO -0.00 0.53 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.72 3h1t s PHE 279 N -1.23 1.68 -0.26 2.71 0.40 -0.58 0.19 117.98 120.89 3h1t s PHE 279 Ca 0.24 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 55.95 3h1t s PHE 279 Cb -0.12 -1.00 0.07 0.00 0.51 0.00 0.00 43.02 42.48 3h1t s PHE 279 CO 0.15 0.08 0.72 0.00 0.70 0.00 0.00 175.22 176.88 3h1t s ALA 280 N -0.81 -1.78 -0.08 5.36 0.00 -0.54 -1.57 121.76 122.33 3h1t s ALA 280 Ca 0.06 2.00 -0.05 0.00 0.00 0.00 0.00 51.96 53.97 3h1t s ALA 280 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3h1t s ALA 280 CO 0.02 -0.34 0.13 0.42 0.00 0.00 0.00 175.76 175.98 3h1t s ILE 281 N 0.31 5.29 0.31 0.00 1.09 -1.26 -2.49 121.20 124.45 3h1t s ILE 281 Ca -0.00 0.03 0.07 0.00 -1.10 0.00 0.00 60.65 59.65 3h1t s ILE 281 Cb -0.05 -3.34 0.32 0.00 -1.06 0.00 0.00 42.46 38.33 3h1t s ILE 281 CO 0.01 0.54 1.66 1.88 -0.10 0.00 0.00 174.94 178.93 3h1t h TYR 282 N 4.70 0.60 -0.10 3.97 0.05 -1.93 0.34 116.97 124.60 3h1t h TYR 282 Ca -0.53 0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.33 3h1t h TYR 282 Cb 1.21 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 3h1t h TYR 282 CO 0.72 -0.18 0.09 0.37 -1.05 0.00 0.00 178.16 178.11 3h1t h GLN 283 N 0.28 0.00 0.00 4.88 4.15 -1.94 -2.14 115.11 120.34 3h1t h GLN 283 Ca 0.62 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.04 3h1t h GLN 283 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 3h1t h GLN 283 CO -0.63 0.00 -1.27 0.43 -1.93 0.00 0.00 178.83 175.44 3h1t n SER 284 N -4.21 0.61 -3.71 -0.69 7.64 0.11 -5.05 113.62 108.33 3h1t n SER 284 Ca -0.00 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.80 3h1t n SER 284 Cb 0.20 0.87 -0.13 0.00 -1.01 0.00 0.00 64.21 64.14 3h1t n SER 284 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3h1t s ILE 285 N -3.40 1.42 -0.47 0.44 1.10 -0.81 -4.78 121.20 114.71 3h1t s ILE 285 Ca -0.02 -2.64 -0.28 0.00 -0.51 0.00 0.00 60.65 57.19 3h1t s ILE 285 Cb 0.11 -1.99 0.01 0.00 0.15 0.00 0.00 42.46 40.74 3h1t s ILE 285 CO 0.82 -0.92 1.46 -2.84 -2.11 0.00 0.00 174.94 171.35 3h1t s PRO 292 N 0.25 3.42 -0.10 3.50 0.02 -1.26 -4.03 135.00 136.79 3h1t s PRO 292 Ca 0.19 0.78 -0.00 0.00 0.02 0.00 0.00 61.00 61.99 3h1t s PRO 292 Cb -0.22 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.21 3h1t s PRO 292 CO -0.02 -1.77 0.02 0.41 -0.33 0.00 0.00 177.00 175.31 3h1t n GLY 293 N 5.20 0.48 0.32 0.52 0.00 -1.26 -4.95 105.19 105.49 3h1t n GLY 293 Ca 0.16 -0.77 0.19 0.00 0.00 0.00 0.00 46.02 45.59 3h1t n GLY 293 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h1t h LEU 294 N -0.05 0.18 -1.86 0.99 6.46 -1.87 -2.45 115.31 116.71 3h1t h LEU 294 Ca -0.03 0.21 0.22 0.00 -0.12 0.00 0.00 57.88 58.16 3h1t h LEU 294 Cb 1.02 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 3h1t h LEU 294 CO 0.04 -0.19 0.68 0.10 -0.62 0.00 0.00 178.44 178.45 3h1t h TYR 295 N 0.22 0.00 0.00 1.25 -0.00 -1.92 -0.24 116.97 116.28 3h1t h TYR 295 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.38 3h1t h TYR 295 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.16 3h1t h TYR 295 CO -0.17 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.62 3h1t n LYS 296 N -3.85 0.06 0.21 0.10 5.02 -0.92 0.18 118.16 118.95 3h1t n LYS 296 Ca 0.16 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 3h1t n LYS 296 Cb 0.95 -1.50 0.37 0.00 -0.02 0.00 0.00 35.03 34.82 3h1t n LYS 296 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3h1t h GLU 297 N 0.00 0.00 -5.83 1.97 4.57 -1.28 -3.42 114.58 110.59 3h1t h GLU 297 Ca 0.00 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.54 3h1t h GLU 297 Cb 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 3h1t h GLU 297 CO 0.00 0.00 -0.46 -0.06 -1.18 0.00 0.00 179.01 177.31 3h1t s PHE 298 N -3.31 3.56 0.82 0.92 0.40 0.13 -5.07 117.98 115.43 3h1t s PHE 298 Ca 0.06 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.70 3h1t s PHE 298 Cb 0.08 -1.88 0.09 0.00 0.51 0.00 0.00 43.02 41.82 3h1t s PHE 298 CO 0.60 0.64 1.10 -1.25 0.70 0.00 0.00 175.22 177.01 3h1t s PRO 299 N -1.86 1.86 0.13 0.24 0.04 -1.26 -4.94 135.00 129.20 3h1t s PRO 299 Ca 0.27 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 3h1t s PRO 299 Cb -0.13 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3h1t s PRO 299 CO 0.17 -1.78 1.65 1.96 0.04 0.00 0.00 177.00 179.04 3h1t h GLN 300 N -1.20 -0.30 -1.04 4.56 1.08 -1.90 -2.23 115.11 114.08 3h1t h GLN 300 Ca -0.48 0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 56.63 3h1t h GLN 300 Cb 1.28 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.71 3h1t h GLN 300 CO 0.59 -0.20 0.14 -0.40 -0.95 0.00 0.00 178.83 178.01 3h1t n ASP 301 N -5.35 3.28 0.03 1.46 5.75 -1.26 -4.41 116.55 116.06 3h1t n ASP 301 Ca -0.04 -2.36 -0.01 0.00 -0.01 0.00 0.00 54.79 52.37 3h1t n ASP 301 Cb 0.26 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 3h1t n ASP 301 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3h1t h PHE 302 N 0.26 -0.07 -4.06 2.11 3.57 -1.76 -3.46 116.94 113.53 3h1t h PHE 302 Ca 0.14 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.14 3h1t h PHE 302 Cb 1.38 0.02 0.06 0.00 2.79 0.00 0.00 35.95 40.20 3h1t h PHE 302 CO 0.35 -0.04 0.43 -0.06 -2.23 0.00 0.00 178.31 176.75 3h1t s PHE 303 N -2.42 2.83 -0.13 0.41 0.40 -1.26 -4.75 117.98 113.06 3h1t s PHE 303 Ca -0.01 1.56 0.19 0.00 -0.60 0.00 0.00 56.93 58.06 3h1t s PHE 303 Cb 0.00 -3.24 -0.25 0.00 0.51 0.00 0.00 43.02 40.04 3h1t s PHE 303 CO 0.03 -1.32 0.39 -0.25 0.70 0.00 0.00 175.22 174.78 3h1t n ASP 304 N -0.99 0.23 -3.75 1.36 9.92 0.90 -4.47 116.55 119.77 3h1t n ASP 304 Ca 0.10 0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.33 3h1t n ASP 304 Cb 0.51 1.07 -0.09 0.00 -0.64 0.00 0.00 41.12 41.96 3h1t n ASP 304 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3h1t s LEU 305 N -5.28 0.68 -0.04 0.64 2.96 -0.92 -1.31 118.68 115.41 3h1t s LEU 305 Ca -0.07 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3h1t s LEU 305 Cb 0.09 1.30 0.02 0.00 0.50 0.00 0.00 46.19 48.10 3h1t s LEU 305 CO 0.85 -0.29 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.91 3h1t s ILE 306 N -0.55 0.57 -0.15 6.68 -1.09 -0.33 -1.30 121.20 125.04 3h1t s ILE 306 Ca -0.07 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 3h1t s ILE 306 Cb -0.04 -0.59 0.01 0.00 -1.58 0.00 0.00 42.46 40.27 3h1t s ILE 306 CO 0.02 0.23 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.13 3h1t s ILE 307 N 0.84 2.14 -0.23 2.92 1.01 0.15 -1.31 121.20 126.71 3h1t s ILE 307 Ca -0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 3h1t s ILE 307 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3h1t s ILE 307 CO 0.01 0.54 0.14 -0.63 0.00 0.00 0.00 174.94 175.00 3h1t s ILE 308 N 0.91 5.16 0.13 2.92 1.01 -0.50 -1.48 121.20 129.35 3h1t s ILE 308 Ca -0.05 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3h1t s ILE 308 Cb -0.15 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 3h1t s ILE 308 CO -0.04 0.36 1.69 -0.78 0.00 0.00 0.00 174.94 176.17 3h1t h ASP 309 N 7.51 -0.26 -3.00 3.58 3.58 -0.97 -3.42 116.42 123.44 3h1t h ASP 309 Ca -0.38 0.07 -0.25 0.00 0.42 0.00 0.00 57.03 56.90 3h1t h ASP 309 Cb 1.17 0.16 -0.34 0.00 1.72 0.00 0.00 39.33 42.04 3h1t h ASP 309 CO 0.65 -0.10 -0.57 -0.70 -2.88 0.00 0.00 179.24 175.64 3h1t s GLU 310 N -6.19 0.10 0.37 0.28 2.56 -1.26 -4.48 118.70 110.08 3h1t s GLU 310 Ca -0.14 0.65 0.24 0.00 0.00 0.00 0.00 54.97 55.73 3h1t s GLU 310 Cb 0.11 -0.14 0.50 0.00 2.00 0.00 0.00 34.13 36.60 3h1t s GLU 310 CO 0.68 -0.28 1.67 0.00 -0.56 0.00 0.00 175.26 176.77 3h1t n HIS 312 N -2.84 4.14 0.00 0.00 -0.00 -1.26 -4.92 115.22 110.35 3h1t n HIS 312 Ca 0.04 -4.15 0.00 0.00 -0.00 0.00 0.00 57.72 53.62 3h1t n HIS 312 Cb 0.49 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.39 3h1t n HIS 312 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.34 178.21 3h1t n TRP 322 N 2.25 0.00 0.30 1.57 -0.00 -1.26 -5.19 117.44 115.10 3h1t n TRP 322 Ca 0.22 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.91 3h1t n TRP 322 Cb 0.37 0.00 1.03 0.00 -0.00 0.00 0.00 31.31 32.71 3h1t n TRP 322 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3h1t h ARG 323 N 0.00 0.00 -0.01 5.87 2.43 -2.01 0.13 114.38 120.80 3h1t h ARG 323 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 3h1t h ARG 323 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3h1t h ARG 323 CO 0.00 0.00 -0.74 1.05 -1.51 0.00 0.00 179.97 178.77 3h1t h GLU 324 N 0.00 0.06 -0.13 0.20 9.09 -2.03 0.67 114.58 122.43 3h1t h GLU 324 Ca 0.00 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.27 3h1t h GLU 324 Cb 0.07 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3h1t h GLU 324 CO 0.00 0.77 -0.26 0.82 0.05 0.00 0.00 179.01 180.39 3h1t h ILE 325 N 0.03 1.37 0.01 -1.06 2.04 -1.17 0.25 117.51 118.99 3h1t h ILE 325 Ca -0.01 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 3h1t h ILE 325 Cb 1.30 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3h1t h ILE 325 CO 0.10 0.45 -0.01 -0.07 0.00 0.00 0.00 178.15 178.62 3h1t h LEU 326 N 0.00 -0.01 -0.81 1.44 4.07 -1.37 0.38 115.31 119.01 3h1t h LEU 326 Ca 0.01 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.65 3h1t h LEU 326 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 3h1t h LEU 326 CO 0.06 0.31 0.00 1.05 -1.08 0.00 0.00 178.44 178.78 3h1t h GLU 327 N -0.34 0.00 0.14 1.13 4.11 0.31 -2.10 114.58 117.83 3h1t h GLU 327 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 3h1t h GLU 327 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3h1t h GLU 327 CO 0.00 0.00 -1.50 -0.92 0.07 0.00 0.00 179.01 176.66 3h1t h TYR 328 N 0.00 0.53 -0.58 2.06 5.03 -0.58 -3.35 116.97 120.08 3h1t h TYR 328 Ca 0.00 -0.38 -0.33 0.00 2.58 0.00 0.00 58.73 60.60 3h1t h TYR 328 Cb 0.44 -0.02 -0.18 0.00 1.55 0.00 0.00 36.73 38.52 3h1t h TYR 328 CO 0.00 1.41 0.41 1.19 -1.32 0.00 0.00 178.16 179.85 3h1t n PHE 329 N -3.50 1.82 -2.77 -3.82 3.72 0.13 -4.71 117.46 108.33 3h1t n PHE 329 Ca -0.16 -1.50 -0.32 0.00 -0.05 0.00 0.00 57.45 55.42 3h1t n PHE 329 Cb 1.05 -0.75 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 3h1t n PHE 329 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3h1t s GLU 330 N -2.00 4.00 -0.45 -1.08 2.12 -1.17 -1.26 118.70 118.87 3h1t s GLU 330 Ca 0.34 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.51 3h1t s GLU 330 Cb 0.28 -2.27 0.40 0.00 0.26 0.00 0.00 34.13 32.81 3h1t s GLU 330 CO 0.05 -0.06 1.91 -0.35 -0.54 0.00 0.00 175.26 176.27 3h1t n PRO 331 N -0.99 2.16 -2.29 4.30 -0.05 -1.26 -4.55 135.00 132.32 3h1t n PRO 331 Ca 0.05 -2.42 -0.41 0.00 -0.05 0.00 0.00 63.50 60.67 3h1t n PRO 331 Cb 0.54 -1.95 -0.03 0.00 -0.05 0.00 0.00 33.50 32.01 3h1t n PRO 331 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3h1t s ALA 332 N -2.76 3.47 0.43 0.55 0.00 -0.39 -4.94 121.76 118.12 3h1t s ALA 332 Ca 0.47 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.23 3h1t s ALA 332 Cb 0.38 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 3h1t s ALA 332 CO 0.02 -0.44 1.44 -0.06 0.00 0.00 0.00 175.76 176.73 3h1t s PHE 333 N -0.47 2.50 -0.10 0.00 0.40 -0.42 -4.83 117.98 115.06 3h1t s PHE 333 Ca 0.51 1.24 0.01 0.00 -0.60 0.00 0.00 56.93 58.09 3h1t s PHE 333 Cb -0.35 -3.95 0.02 0.00 0.51 0.00 0.00 43.02 39.25 3h1t s PHE 333 CO 0.42 -2.95 -0.10 -0.65 0.70 0.00 0.00 175.22 172.64 3h1t s GLN 334 N -2.34 1.66 -0.23 0.44 -0.21 -0.99 -1.19 119.66 116.79 3h1t s GLN 334 Ca 0.58 -0.34 -0.02 0.00 0.02 0.00 0.00 55.36 55.60 3h1t s GLN 334 Cb -0.44 -1.57 0.01 0.00 1.00 0.00 0.00 33.01 32.01 3h1t s GLN 334 CO 0.58 -0.16 -0.06 0.42 -2.12 0.00 0.00 175.29 173.95 3h1t s ILE 335 N 1.31 3.00 0.09 1.08 1.09 -0.43 -1.17 121.20 126.18 3h1t s ILE 335 Ca -0.02 -0.82 0.01 0.00 -1.10 0.00 0.00 60.65 58.72 3h1t s ILE 335 Cb -0.14 -2.44 0.01 0.00 -1.06 0.00 0.00 42.46 38.83 3h1t s ILE 335 CO -0.04 0.31 0.11 0.61 -0.10 0.00 0.00 174.94 175.82 3h1t n GLY 336 N 4.72 2.33 0.00 6.18 0.00 0.11 -1.41 105.19 117.11 3h1t n GLY 336 Ca -0.17 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3h1t n GLY 336 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h1t n THR 338 N -1.03 0.00 0.83 2.61 5.66 -0.27 -0.66 114.28 121.43 3h1t n THR 338 Ca 0.02 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.11 3h1t n THR 338 Cb 0.10 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 3h1t n THR 338 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1t n ALA 339 N -0.44 3.41 -2.41 1.79 0.00 -1.26 -4.19 120.51 117.40 3h1t n ALA 339 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 3h1t n ALA 339 Cb 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 3h1t n ALA 339 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1t s THR 340 N -2.17 1.86 0.89 0.00 -4.23 -1.26 -4.34 115.64 106.39 3h1t s THR 340 Ca 0.15 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 3h1t s THR 340 Cb 0.15 -1.59 0.13 0.00 1.34 0.00 0.00 72.50 72.53 3h1t s THR 340 CO 0.49 0.35 1.20 -2.16 -0.54 0.00 0.00 174.62 173.96 3h1t s PRO 341 N -1.01 1.29 -0.10 3.99 0.04 -1.26 -4.94 135.00 133.01 3h1t s PRO 341 Ca 0.09 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 3h1t s PRO 341 Cb -0.09 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3h1t s PRO 341 CO 0.01 -2.04 2.08 -1.17 0.04 0.00 0.00 177.00 175.92 3h1t s LEU 342 N -5.83 3.92 0.00 -3.56 0.20 -1.26 -4.89 118.68 107.26 3h1t s LEU 342 Ca 0.66 2.24 0.00 0.00 0.69 0.00 0.00 54.13 57.72 3h1t s LEU 342 Cb -0.10 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 3h1t s LEU 342 CO 0.51 -1.52 0.00 0.54 -0.29 0.00 0.00 176.35 175.60 3h1t n ARG 343 N 8.16 0.51 0.03 1.98 5.12 -1.26 -5.03 116.66 126.16 3h1t n ARG 343 Ca 0.25 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.05 3h1t n ARG 343 Cb 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 3h1t n ARG 343 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3h1t h GLU 344 N 0.00 0.53 0.00 5.56 5.08 -2.04 -3.26 114.58 120.45 3h1t h GLU 344 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3h1t h GLU 344 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3h1t h GLU 344 CO 0.00 1.05 -0.56 -0.40 -1.00 0.00 0.00 179.01 178.10 3h1t n ASP 345 N -3.88 0.55 0.10 1.42 5.75 -1.26 -4.41 116.55 114.83 3h1t n ASP 345 Ca -0.05 -0.12 0.06 0.00 -0.01 0.00 0.00 54.79 54.67 3h1t n ASP 345 Cb 0.71 0.25 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 3h1t n ASP 345 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3h1t h ASN 346 N 0.00 0.00 -0.96 -1.12 4.21 -1.90 -3.44 115.58 112.38 3h1t h ASN 346 Ca 0.00 0.00 0.28 0.00 1.21 0.00 0.00 56.30 57.79 3h1t h ASN 346 Cb 0.59 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 37.61 3h1t h ASN 346 CO 0.00 0.30 0.07 0.54 -1.29 0.00 0.00 177.43 177.05 3h1t n ARG 347 N -2.93 -0.07 0.15 0.81 1.74 -1.24 -1.63 116.66 113.48 3h1t n ARG 347 Ca -0.02 1.42 0.09 0.00 -0.77 0.00 0.00 57.85 58.57 3h1t n ARG 347 Cb 0.68 -2.29 0.60 0.00 -1.02 0.00 0.00 32.46 30.43 3h1t n ARG 347 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3h1t h ASP 348 N 0.00 0.11 -0.24 0.55 3.32 -1.95 0.12 116.42 118.33 3h1t h ASP 348 Ca 0.60 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.60 3h1t h ASP 348 Cb 1.29 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3h1t h ASP 348 CO -0.88 0.08 -0.07 0.74 -1.72 0.00 0.00 179.24 177.38 3h1t h THR 349 N 0.13 1.29 0.00 0.35 2.02 -1.66 -1.07 112.91 113.96 3h1t h THR 349 Ca 0.08 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3h1t h THR 349 Cb 0.18 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3h1t h THR 349 CO -0.01 0.34 0.00 -1.22 0.37 0.00 0.00 175.52 175.00 3h1t n TYR 350 N -4.55 0.85 0.08 3.16 4.02 -0.72 -1.70 117.16 118.30 3h1t n TYR 350 Ca -0.04 0.30 -0.23 0.00 -0.01 0.00 0.00 57.90 57.92 3h1t n TYR 350 Cb 0.31 -0.99 -0.15 0.00 -0.02 0.00 0.00 39.34 38.49 3h1t n TYR 350 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3h1t h ARG 351 N 0.00 0.40 -0.02 -0.72 3.08 -0.76 -1.37 114.38 114.97 3h1t h ARG 351 Ca 0.00 -0.68 -0.04 0.00 0.07 0.00 0.00 59.98 59.33 3h1t h ARG 351 Cb 0.49 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3h1t h ARG 351 CO 0.00 1.32 -0.15 -0.92 -1.07 0.00 0.00 179.97 179.15 3h1t h TYR 352 N 0.02 0.20 0.00 3.04 5.03 -1.07 -3.34 116.97 120.85 3h1t h TYR 352 Ca -0.31 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 60.91 3h1t h TYR 352 Cb 2.03 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.28 3h1t h TYR 352 CO 0.12 0.81 -0.85 1.19 -1.32 0.00 0.00 178.16 178.11 3h1t n PHE 353 N -4.60 0.59 -0.80 -3.82 3.72 -0.69 -5.00 117.46 106.86 3h1t n PHE 353 Ca -0.09 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3h1t n PHE 353 Cb 0.42 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 3h1t n PHE 353 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h1t n GLY 354 N 1.30 -2.71 3.77 1.37 0.00 -0.52 -4.12 105.19 104.28 3h1t n GLY 354 Ca 0.02 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3h1t n GLY 354 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h1t s ASN 355 N -2.13 6.75 0.37 1.61 0.01 -1.26 -4.66 114.94 115.62 3h1t s ASN 355 Ca 0.00 2.49 -0.27 0.00 -0.71 0.00 0.00 52.86 54.37 3h1t s ASN 355 Cb 0.00 -2.63 -0.12 0.00 0.41 0.00 0.00 41.25 38.91 3h1t s ASN 355 CO 0.00 -0.53 1.20 -0.81 -1.51 0.00 0.00 177.10 175.45 3h1t n PRO 356 N 0.58 1.85 0.10 -0.60 -0.04 -1.26 -4.49 135.00 131.14 3h1t n PRO 356 Ca 0.01 0.65 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 3h1t n PRO 356 Cb 0.44 -2.23 0.32 0.00 -0.04 0.00 0.00 33.50 31.98 3h1t n PRO 356 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3h1t h ILE 357 N 2.19 0.00 -1.72 0.52 -0.00 -0.95 -3.46 117.51 114.09 3h1t h ILE 357 Ca -0.45 -0.54 0.03 0.00 -0.00 0.00 0.00 64.86 63.90 3h1t h ILE 357 Cb 1.30 1.42 -0.23 0.00 -0.00 0.00 0.00 36.82 39.31 3h1t h ILE 357 CO 0.61 0.00 0.39 -0.47 -0.00 0.00 0.00 178.15 178.67 3h1t s TYR 358 N -3.13 -0.52 -0.07 0.16 5.04 -1.26 -5.03 117.35 112.54 3h1t s TYR 358 Ca 0.09 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 3h1t s TYR 358 Cb 0.12 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.84 3h1t s TYR 358 CO 0.64 -0.35 -0.05 0.99 -1.34 0.00 0.00 175.55 175.43 3h1t s THR 359 N -0.41 0.70 -0.33 4.34 2.01 -1.26 -1.82 115.64 118.87 3h1t s THR 359 Ca -0.01 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3h1t s THR 359 Cb -0.03 -0.75 0.09 0.00 0.01 0.00 0.00 72.50 71.83 3h1t s THR 359 CO 0.00 0.29 0.04 -0.47 -0.69 0.00 0.00 174.62 173.80 3h1t s TYR 360 N 1.39 3.63 0.96 4.92 5.04 0.01 -5.02 117.35 128.28 3h1t s TYR 360 Ca -0.03 -2.75 -0.15 0.00 -2.44 0.00 0.00 57.07 51.70 3h1t s TYR 360 Cb -0.13 -2.76 0.19 0.00 0.35 0.00 0.00 41.96 39.60 3h1t s TYR 360 CO -0.03 -0.93 1.27 -1.54 -1.34 0.00 0.00 175.55 172.98 3h1t s SER 361 N 1.09 3.15 0.15 4.32 1.04 -1.26 -1.10 113.70 121.08 3h1t s SER 361 Ca 0.06 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 3h1t s SER 361 Cb -0.20 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 3h1t s SER 361 CO -0.07 -2.72 1.41 0.25 0.98 0.00 0.00 173.24 173.09 3h1t h LEU 362 N -1.63 0.73 -0.14 2.42 5.85 -1.64 -2.03 115.31 118.86 3h1t h LEU 362 Ca -0.45 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 57.86 3h1t h LEU 362 Cb 1.26 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3h1t h LEU 362 CO 0.43 1.20 -0.06 -0.09 -0.34 0.00 0.00 178.44 179.58 3h1t h ARG 363 N 0.45 -0.04 -0.35 1.25 2.43 -0.82 0.36 114.38 117.66 3h1t h ARG 363 Ca -0.02 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3h1t h ARG 363 Cb 1.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3h1t h ARG 363 CO 0.13 -0.03 -0.08 0.37 -1.51 0.00 0.00 179.97 178.85 3h1t h GLN 364 N -0.05 0.68 -0.43 0.20 4.15 -1.82 -1.83 115.11 116.02 3h1t h GLN 364 Ca 0.08 -0.26 0.05 0.00 0.77 0.00 0.00 58.65 59.29 3h1t h GLN 364 Cb 0.16 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 3h1t h GLN 364 CO -0.17 0.84 0.16 0.78 -1.93 0.00 0.00 178.83 178.51 3h1t h GLY 365 N 0.47 0.57 0.98 2.39 0.00 -1.09 0.13 103.07 106.53 3h1t h GLY 365 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3h1t h GLY 365 CO 0.03 0.03 0.18 -2.22 0.00 0.00 0.00 176.54 174.57 3h1t h ILE 366 N 0.34 1.23 0.00 2.60 2.04 -0.86 -0.47 117.51 122.39 3h1t h ILE 366 Ca 0.20 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3h1t h ILE 366 Cb 0.18 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3h1t h ILE 366 CO -0.19 0.29 -0.17 -0.78 0.00 0.00 0.00 178.15 177.29 3h1t h ASP 367 N 0.74 0.00 0.27 1.72 3.58 -0.67 -2.07 116.42 119.99 3h1t h ASP 367 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3h1t h ASP 367 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3h1t h ASP 367 CO -0.01 0.17 -0.21 0.47 -2.88 0.00 0.00 179.24 176.78 3h1t n ASP 368 N -3.92 0.88 -0.01 2.28 8.00 0.41 -3.63 116.55 120.57 3h1t n ASP 368 Ca -0.02 -0.81 -0.00 0.00 0.71 0.00 0.00 54.79 54.67 3h1t n ASP 368 Cb 0.26 0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3h1t n ASP 368 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1t n GLY 369 N 1.32 0.38 0.00 0.44 0.00 -0.78 -0.51 105.19 106.05 3h1t n GLY 369 Ca 0.13 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 45.14 3h1t n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h1t n PHE 370 N -3.03 0.00 -4.19 1.61 3.72 -0.24 -4.73 117.46 110.59 3h1t n PHE 370 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 3h1t n PHE 370 Cb 0.02 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.31 3h1t n PHE 370 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3h1t s LEU 371 N -3.30 2.46 0.09 4.37 1.43 -1.02 -4.58 118.68 118.13 3h1t s LEU 371 Ca 0.02 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 3h1t s LEU 371 Cb 0.12 -0.26 -0.07 0.00 0.03 0.00 0.00 46.19 46.01 3h1t s LEU 371 CO 0.71 -0.33 0.59 0.00 0.23 0.00 0.00 176.35 177.55 3h1t s ALA 372 N -2.94 3.57 0.85 4.21 0.00 0.35 -4.19 121.76 123.61 3h1t s ALA 372 Ca 0.10 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 3h1t s ALA 372 Cb 0.00 -2.66 0.10 0.00 0.00 0.00 0.00 23.12 20.56 3h1t s ALA 372 CO -0.01 0.39 1.13 -1.25 0.00 0.00 0.00 175.76 176.02 3h1t s PRO 373 N -1.18 1.66 0.06 0.00 0.04 -1.26 -4.74 135.00 129.60 3h1t s PRO 373 Ca 0.30 0.39 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 3h1t s PRO 373 Cb -0.20 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3h1t s PRO 373 CO 0.20 -1.86 0.12 1.52 0.04 0.00 0.00 177.00 177.02 3h1t s TYR 374 N -3.28 0.24 -0.07 0.56 -0.85 -1.26 -1.57 117.35 111.12 3h1t s TYR 374 Ca 0.62 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.54 3h1t s TYR 374 Cb -0.14 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.02 3h1t s TYR 374 CO 0.53 -0.45 -0.12 1.03 -1.52 0.00 0.00 175.55 175.02 3h1t s ARG 375 N -3.46 2.75 -0.15 -3.49 3.00 -0.25 -2.32 118.95 115.04 3h1t s ARG 375 Ca 0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 55.73 55.06 3h1t s ARG 375 Cb 0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 34.95 32.46 3h1t s ARG 375 CO -0.09 0.55 -0.01 0.08 0.00 0.00 0.00 175.30 175.84 3h1t s VAL 376 N -0.52 4.19 -0.35 3.52 1.01 -0.14 -0.61 120.40 127.49 3h1t s VAL 376 Ca 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3h1t s VAL 376 Cb -0.12 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.53 3h1t s VAL 376 CO 0.02 0.51 0.08 -1.00 0.00 0.00 0.00 175.10 174.71 3h1t s HIS 377 N 0.11 3.04 -0.03 5.22 3.76 -0.44 -1.46 115.29 125.49 3h1t s HIS 377 Ca 0.01 -2.61 -0.25 0.00 -0.15 0.00 0.00 55.06 52.06 3h1t s HIS 377 Cb -0.13 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 3h1t s HIS 377 CO 0.02 -0.91 0.77 0.50 -0.85 0.00 0.00 174.74 174.27 3h1t s ARG 378 N 1.03 4.47 -0.20 1.40 3.52 0.58 -0.63 118.95 129.12 3h1t s ARG 378 Ca 0.11 1.03 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3h1t s ARG 378 Cb -0.19 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3h1t s ARG 378 CO -0.12 0.10 -0.11 0.08 -0.81 0.00 0.00 175.30 174.43 3h1t s VAL 379 N 0.62 1.74 0.01 7.11 1.01 0.11 -0.64 120.40 130.35 3h1t s VAL 379 Ca 0.40 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3h1t s VAL 379 Cb -0.19 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3h1t s VAL 379 CO 0.21 0.20 -0.09 -0.51 0.00 0.00 0.00 175.10 174.91 3h1t s ILE 380 N 1.36 3.48 0.18 2.22 1.10 -0.18 -4.04 121.20 125.31 3h1t s ILE 380 Ca -0.01 -0.86 -0.30 0.00 -0.51 0.00 0.00 60.65 58.96 3h1t s ILE 380 Cb -0.16 -2.51 -0.08 0.00 0.15 0.00 0.00 42.46 39.87 3h1t s ILE 380 CO -0.08 0.38 1.08 -0.44 -2.11 0.00 0.00 174.94 173.76 3h1t s SER 381 N -1.44 7.31 0.31 4.50 0.01 -1.26 -0.36 113.70 122.77 3h1t s SER 381 Ca 0.17 2.06 0.07 0.00 1.31 0.00 0.00 55.95 59.56 3h1t s SER 381 Cb -0.11 -2.60 0.84 0.00 0.21 0.00 0.00 66.02 64.35 3h1t s SER 381 CO 0.07 -0.18 1.68 -0.08 0.41 0.00 0.00 173.24 175.15 3h1t h GLU 382 N 5.04 0.37 -1.10 12.44 4.81 -0.42 -0.24 114.58 135.48 3h1t h GLU 382 Ca -0.44 -0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.08 3h1t h GLU 382 Cb 1.21 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3h1t h GLU 382 CO 0.72 0.24 0.85 -0.39 -0.73 0.00 0.00 179.01 179.70 3h1t h VAL 383 N 0.38 0.36 -3.56 0.32 -1.51 -1.92 -3.13 116.25 107.19 3h1t h VAL 383 Ca 0.61 0.00 -0.71 0.00 -1.23 0.00 0.00 66.70 65.38 3h1t h VAL 383 Cb 1.24 0.40 -0.28 0.00 -2.13 0.00 0.00 31.29 30.52 3h1t h VAL 383 CO -0.56 0.00 -0.53 -0.62 -1.23 0.00 0.00 177.57 174.63 3h1t s ASP 384 N -5.03 5.53 -0.00 4.19 2.15 -0.10 -5.27 116.67 118.15 3h1t s ASP 384 Ca -0.05 -1.30 0.13 0.00 0.43 0.00 0.00 52.55 51.76 3h1t s ASP 384 Cb 0.22 -1.95 0.21 0.00 -0.30 0.00 0.00 42.92 41.10 3h1t s ASP 384 CO 0.75 -0.43 1.08 0.00 -0.17 0.00 0.00 175.17 176.40 3h1t n ALA 385 N 4.88 3.08 -3.48 3.66 0.00 -1.19 -4.66 120.51 122.81 3h1t n ALA 385 Ca -0.11 -1.50 -0.13 0.00 0.00 0.00 0.00 53.44 51.71 3h1t n ALA 385 Cb 0.44 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 3h1t n ALA 385 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h1t s THR 409 N -0.00 -0.03 0.00 0.00 2.01 -1.26 -5.18 115.64 111.18 3h1t s THR 409 Ca 0.17 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3h1t s THR 409 Cb 0.19 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.36 3h1t s THR 409 CO -0.08 0.04 0.00 1.17 -0.69 0.00 0.00 174.62 175.06 3h1t n LYS 410 N 3.72 0.00 0.00 4.92 3.00 -1.26 -5.11 118.16 123.43 3h1t n LYS 410 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3h1t n LYS 410 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 3h1t n LYS 410 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3h1t n ASP 411 N -0.13 0.00 0.13 3.14 2.03 -1.26 -4.74 116.55 115.72 3h1t n ASP 411 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 3h1t n ASP 411 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 3h1t n ASP 411 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3h1t h PHE 412 N 0.00 0.00 0.00 -0.67 0.04 -2.01 -3.07 116.94 111.23 3h1t h PHE 412 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h1t h PHE 412 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3h1t h PHE 412 CO 0.00 0.31 -0.34 1.49 -0.60 0.00 0.00 178.31 179.17 3h1t h GLU 413 N 0.00 0.00 -0.26 1.51 4.81 -1.99 -3.14 114.58 115.51 3h1t h GLU 413 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3h1t h GLU 413 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3h1t h GLU 413 CO 0.03 0.00 0.14 -0.09 -0.73 0.00 0.00 179.01 178.36 3h1t h ARG 414 N 0.00 0.36 0.00 1.92 9.65 -1.83 -0.90 114.38 123.59 3h1t h ARG 414 Ca 0.00 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.71 3h1t h ARG 414 Cb 0.88 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 3h1t h ARG 414 CO 0.00 0.32 -0.61 -0.39 2.80 0.00 0.00 179.97 182.09 3h1t h VAL 415 N 0.30 1.33 0.55 0.20 -1.51 -1.63 -2.17 116.25 113.32 3h1t h VAL 415 Ca 0.09 -2.17 -0.02 0.00 -1.23 0.00 0.00 66.70 63.36 3h1t h VAL 415 Cb 0.07 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3h1t h VAL 415 CO -0.01 0.60 -0.28 0.40 -1.23 0.00 0.00 177.57 177.04 3h1t h ILE 416 N 0.00 0.42 -1.00 7.19 1.08 -1.37 -1.38 117.51 122.45 3h1t h ILE 416 Ca -0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 3h1t h ILE 416 Cb 1.16 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 35.27 3h1t h ILE 416 CO 0.08 0.00 0.65 0.00 -0.69 0.00 0.00 178.15 178.19 3h1t h ALA 417 N -0.31 1.39 -0.54 1.87 0.00 -1.13 -1.09 119.26 119.45 3h1t h ALA 417 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3h1t h ALA 417 Cb 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3h1t h ALA 417 CO 0.11 0.45 0.23 -0.07 0.00 0.00 0.00 179.25 179.96 3h1t h LEU 418 N 1.18 0.74 -0.49 0.00 3.38 -1.12 -2.28 115.31 116.72 3h1t h LEU 418 Ca 0.43 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 3h1t h LEU 418 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3h1t h LEU 418 CO -0.17 0.69 -0.63 0.11 0.09 0.00 0.00 178.44 178.54 3h1t h LYS 419 N 0.73 0.00 0.00 1.13 1.57 -0.89 -3.05 116.57 116.06 3h1t h LYS 419 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3h1t h LYS 419 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3h1t h LYS 419 CO -0.02 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.49 3h1t h ALA 420 N 1.37 1.00 -0.41 3.86 0.00 -1.00 -3.17 119.26 120.92 3h1t h ALA 420 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h1t h ALA 420 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h1t h ALA 420 CO 0.08 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3h1t n ARG 421 N -2.48 3.02 -0.33 0.00 1.74 -0.88 -4.69 116.66 113.06 3h1t n ARG 421 Ca 0.04 -2.42 0.19 0.00 -0.77 0.00 0.00 57.85 54.88 3h1t n ARG 421 Cb 0.37 -1.53 0.39 0.00 -1.02 0.00 0.00 32.46 30.67 3h1t n ARG 421 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3h1t h THR 422 N 2.49 0.39 0.00 0.55 2.02 -1.54 0.13 112.91 116.94 3h1t h THR 422 Ca 0.00 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3h1t h THR 422 Cb 1.04 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3h1t h THR 422 CO 0.09 0.07 -0.57 0.44 0.37 0.00 0.00 175.52 175.92 3h1t h ASP 423 N 0.38 0.00 -0.15 4.18 3.32 -1.88 -1.97 116.42 120.31 3h1t h ASP 423 Ca 0.65 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.66 3h1t h ASP 423 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 3h1t h ASP 423 CO -0.57 0.57 -0.07 0.00 -1.72 0.00 0.00 179.24 177.45 3h1t h ALA 424 N 1.43 0.21 -0.56 3.45 0.00 -1.02 -1.57 119.26 121.19 3h1t h ALA 424 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h1t h ALA 424 Cb 1.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3h1t h ALA 424 CO 0.07 -0.00 0.33 0.74 0.00 0.00 0.00 179.25 180.39 3h1t h PHE 425 N -0.03 0.74 -0.67 0.00 0.04 -1.39 0.07 116.94 115.70 3h1t h PHE 425 Ca 0.03 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3h1t h PHE 425 Cb 0.53 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 3h1t h PHE 425 CO 0.06 0.51 0.21 0.00 -0.60 0.00 0.00 178.31 178.50 3h1t h ALA 426 N 1.16 1.11 -0.11 2.45 0.00 -1.32 0.15 119.26 122.71 3h1t h ALA 426 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h1t h ALA 426 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3h1t h ALA 426 CO -0.04 0.61 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 3h1t h LYS 427 N 0.98 0.23 -0.92 0.00 3.64 -0.85 -1.77 116.57 117.88 3h1t h LYS 427 Ca 0.22 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3h1t h LYS 427 Cb 0.27 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3h1t h LYS 427 CO -0.01 0.57 0.53 1.25 -2.27 0.00 0.00 179.45 179.52 3h1t h HIS 428 N -0.12 1.25 -0.63 1.91 2.76 -0.73 -1.44 115.15 118.15 3h1t h HIS 428 Ca 0.03 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3h1t h HIS 428 Cb 0.50 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3h1t h HIS 428 CO 0.06 0.85 0.07 1.25 -1.30 0.00 0.00 177.93 178.86 3h1t h LEU 429 N 1.29 1.03 -0.46 0.26 5.85 -0.66 -1.55 115.31 121.07 3h1t h LEU 429 Ca 0.33 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3h1t h LEU 429 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3h1t h LEU 429 CO -0.06 1.05 0.11 0.74 -0.34 0.00 0.00 178.44 179.94 3h1t h THR 430 N 0.98 1.24 -0.55 1.05 2.02 -0.93 -2.84 112.91 113.88 3h1t h THR 430 Ca 0.19 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3h1t h THR 430 Cb 0.48 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3h1t h THR 430 CO 0.02 0.29 0.09 0.44 0.37 0.00 0.00 175.52 176.73 3h1t h ASP 431 N 0.61 0.87 0.00 4.18 3.32 -1.20 0.15 116.42 124.36 3h1t h ASP 431 Ca 0.14 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3h1t h ASP 431 Cb 0.33 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3h1t h ASP 431 CO 0.00 0.91 0.00 0.33 -1.72 0.00 0.00 179.24 178.76 3h1t n PHE 432 N -4.36 0.00 0.00 4.55 -0.00 -0.59 -1.47 117.46 115.59 3h1t n PHE 432 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 3h1t n PHE 432 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.74 3h1t n PHE 432 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1t n LYS 434 N 0.39 0.00 0.00 -4.13 5.02 0.04 -1.86 118.16 117.63 3h1t n LYS 434 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3h1t n LYS 434 Cb 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 35.03 35.51 3h1t n LYS 434 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3h1t n ARG 435 N 0.00 1.11 0.04 1.97 1.85 -0.54 -4.65 116.66 116.44 3h1t n ARG 435 Ca 0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 57.85 56.26 3h1t n ARG 435 Cb 0.00 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 3h1t n ARG 435 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3h1t n THR 436 N -0.43 0.69 -3.15 8.89 -2.24 -0.78 -5.09 114.28 112.18 3h1t n THR 436 Ca 0.16 0.23 0.05 0.00 -2.27 0.00 0.00 64.05 62.21 3h1t n THR 436 Cb 0.33 -1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 67.31 3h1t n THR 436 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h1t s ASP 437 N -5.51 -0.85 0.24 3.42 2.15 -1.26 -5.03 116.67 109.83 3h1t s ASP 437 Ca 0.00 0.21 0.19 0.00 0.43 0.00 0.00 52.55 53.38 3h1t s ASP 437 Cb 0.00 1.58 0.93 0.00 -0.30 0.00 0.00 42.92 45.13 3h1t s ASP 437 CO 0.00 -0.16 1.57 0.54 -0.17 0.00 0.00 175.17 176.96 3h1t n ARG 438 N 5.30 0.13 -0.30 4.34 1.74 -1.26 -2.13 116.66 124.47 3h1t n ARG 438 Ca 0.04 0.53 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 3h1t n ARG 438 Cb 0.55 -1.84 0.20 0.00 -1.02 0.00 0.00 32.46 30.35 3h1t n ARG 438 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h1t n PHE 439 N -2.10 0.63 -2.40 -1.55 3.01 -1.26 -4.97 117.46 108.81 3h1t n PHE 439 Ca 0.00 -0.79 -0.43 0.00 1.01 0.00 0.00 57.45 57.24 3h1t n PHE 439 Cb 0.09 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 3h1t n PHE 439 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1t s ALA 440 N -2.33 3.61 0.17 4.37 0.00 -0.91 -4.94 121.76 121.74 3h1t s ALA 440 Ca 0.34 0.54 -0.32 0.00 0.00 0.00 0.00 51.96 52.52 3h1t s ALA 440 Cb 0.26 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 3h1t s ALA 440 CO 0.09 -1.07 1.72 0.15 0.00 0.00 0.00 175.76 176.65 3h1t s LYS 441 N 3.15 4.15 0.05 0.00 1.02 -1.26 -4.80 119.74 122.05 3h1t s LYS 441 Ca 0.56 2.55 0.05 0.00 0.02 0.00 0.00 55.97 59.15 3h1t s LYS 441 Cb -0.24 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 3h1t s LYS 441 CO 0.18 -0.75 -0.15 0.99 -0.92 0.00 0.00 175.35 174.70 3h1t s THR 442 N 1.67 1.15 -0.09 2.17 2.01 0.26 -0.63 115.64 122.19 3h1t s THR 442 Ca 0.76 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3h1t s THR 442 Cb -0.47 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 70.99 3h1t s THR 442 CO 0.33 -0.08 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.40 3h1t s ILE 443 N -1.03 1.39 -0.23 1.82 1.01 -0.87 -0.99 121.20 122.31 3h1t s ILE 443 Ca 0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3h1t s ILE 443 Cb -0.09 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.14 3h1t s ILE 443 CO 0.02 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3h1t s VAL 444 N 0.77 2.91 -0.49 2.92 1.01 0.53 -0.72 120.40 127.31 3h1t s VAL 444 Ca -0.12 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 3h1t s VAL 444 Cb -0.16 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.87 3h1t s VAL 444 CO 0.02 0.32 0.76 -0.36 0.00 0.00 0.00 175.10 175.84 3h1t s PHE 445 N 1.37 2.96 0.54 5.22 0.08 0.37 -1.94 117.98 126.57 3h1t s PHE 445 Ca 0.03 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.01 3h1t s PHE 445 Cb -0.15 -3.69 0.06 0.00 -0.57 0.00 0.00 43.02 38.66 3h1t s PHE 445 CO -0.05 -1.09 0.74 0.00 -0.10 0.00 0.00 175.22 174.72 3h1t h VAL 447 N 0.22 0.95 -4.23 0.00 2.07 -1.83 -3.39 116.25 110.04 3h1t h VAL 447 Ca -0.37 -0.31 -0.29 0.00 0.82 0.00 0.00 66.70 66.55 3h1t h VAL 447 Cb 1.28 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3h1t h VAL 447 CO 0.44 0.08 -0.25 1.51 0.02 0.00 0.00 177.57 179.37 3h1t s ASP 448 N -5.17 0.92 0.36 0.57 1.47 -1.26 -4.92 116.67 108.64 3h1t s ASP 448 Ca -0.14 -1.48 0.05 0.00 1.18 0.00 0.00 52.55 52.15 3h1t s ASP 448 Cb 0.04 0.63 0.71 0.00 -0.34 0.00 0.00 42.92 43.96 3h1t s ASP 448 CO 0.64 -1.23 1.97 1.56 0.68 0.00 0.00 175.17 178.79 3h1t h GLN 449 N 2.15 0.76 -0.60 2.11 4.20 -1.92 -0.91 115.11 120.90 3h1t h GLN 449 Ca -0.28 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 3h1t h GLN 449 Cb 1.24 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 3h1t h GLN 449 CO 0.39 0.50 0.23 1.49 -0.67 0.00 0.00 178.83 180.78 3h1t h GLU 450 N 0.79 0.91 -0.65 1.46 4.81 -2.00 -2.04 114.58 117.86 3h1t h GLU 450 Ca 0.29 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3h1t h GLU 450 Cb 0.17 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3h1t h GLU 450 CO -0.09 0.78 0.34 1.25 -0.73 0.00 0.00 179.01 180.56 3h1t h HIS 451 N 0.84 0.91 -0.87 0.92 2.76 -1.61 -2.45 115.15 115.66 3h1t h HIS 451 Ca 0.20 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3h1t h HIS 451 Cb 0.22 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 3h1t h HIS 451 CO 0.01 0.66 0.57 0.00 -1.30 0.00 0.00 177.93 177.88 3h1t h ALA 452 N 1.16 1.40 -0.18 5.26 0.00 -0.83 -2.73 119.26 123.33 3h1t h ALA 452 Ca 0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3h1t h ALA 452 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3h1t h ALA 452 CO -0.03 0.55 -0.56 0.22 0.00 0.00 0.00 179.25 179.43 3h1t h ASP 453 N 1.16 0.62 0.00 0.00 3.58 -1.07 -0.67 116.42 120.03 3h1t h ASP 453 Ca 0.32 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3h1t h ASP 453 Cb -0.10 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.77 3h1t h ASP 453 CO -0.08 1.05 0.00 -0.62 -2.88 0.00 0.00 179.24 176.72 3h1t n GLU 454 N -3.95 0.67 0.00 0.28 1.02 -0.95 -1.88 120.64 115.82 3h1t n GLU 454 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3h1t n GLU 454 Cb 0.61 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3h1t n GLU 454 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3h1t n ARG 456 N 0.61 0.00 -0.14 3.49 0.63 -0.26 -1.45 116.66 119.54 3h1t n ARG 456 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3h1t n ARG 456 Cb 0.31 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.22 3h1t n ARG 456 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3h1t h ARG 457 N 0.00 0.60 0.48 -0.14 2.43 -1.64 -0.22 114.38 115.88 3h1t h ARG 457 Ca 0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3h1t h ARG 457 Cb 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3h1t h ARG 457 CO 0.00 0.53 -0.23 0.00 -1.51 0.00 0.00 179.97 178.76 3h1t h ALA 458 N 1.04 -0.65 -0.90 2.80 0.00 -1.52 -1.71 119.26 118.33 3h1t h ALA 458 Ca 0.14 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3h1t h ALA 458 Cb 0.13 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3h1t h ALA 458 CO -0.02 -0.86 0.58 -0.07 0.00 0.00 0.00 179.25 178.89 3h1t h LEU 459 N -0.66 0.83 0.17 0.00 4.07 -1.79 -0.82 115.31 117.10 3h1t h LEU 459 Ca -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3h1t h LEU 459 Cb 0.50 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3h1t h LEU 459 CO 0.11 0.49 -0.08 -1.13 -1.08 0.00 0.00 178.44 176.75 3h1t h ASN 460 N 0.92 -0.20 0.31 -0.43 -0.73 -0.73 -2.12 115.58 112.59 3h1t h ASN 460 Ca 0.41 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.47 3h1t h ASN 460 Cb 0.37 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 3h1t h ASN 460 CO -0.18 -0.07 -0.29 0.78 -0.37 0.00 0.00 177.43 177.31 3h1t h ASN 461 N -0.31 0.00 0.96 1.15 2.35 -0.80 -0.47 115.58 118.46 3h1t h ASN 461 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3h1t h ASN 461 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3h1t h ASN 461 CO 0.04 0.29 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.88 3h1t h LEU 462 N 0.00 0.00 -3.39 1.61 -0.00 -0.94 -3.10 115.31 109.49 3h1t h LEU 462 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 3h1t h LEU 462 Cb 0.52 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 40.97 3h1t h LEU 462 CO 0.04 0.15 -0.68 0.59 -0.00 0.00 0.00 178.44 178.54 3h1t n ASN 463 N -3.30 2.87 0.20 -0.43 3.02 -0.64 -4.81 115.26 112.18 3h1t n ASN 463 Ca 0.00 -3.65 0.14 0.00 -0.03 0.00 0.00 54.58 51.04 3h1t n ASN 463 Cb 0.39 -0.44 0.73 0.00 -0.61 0.00 0.00 39.78 39.85 3h1t n ASN 463 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3h1t h SER 464 N 1.51 0.00 0.47 6.41 4.64 -1.04 0.30 113.55 125.84 3h1t h SER 464 Ca 0.12 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 3h1t h SER 464 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3h1t h SER 464 CO 0.30 0.00 -0.57 -2.24 -0.87 0.00 0.00 176.83 173.45 3h1t h ASP 465 N 0.00 0.12 0.43 4.97 2.03 -1.87 -2.09 116.42 120.02 3h1t h ASP 465 Ca 0.00 -0.07 -0.30 0.00 -0.73 0.00 0.00 57.03 55.93 3h1t h ASP 465 Cb 0.04 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 3h1t h ASP 465 CO 0.00 0.67 -1.73 -0.07 -1.03 0.00 0.00 179.24 177.08 3h1t h LEU 466 N 0.08 0.11 -1.19 0.15 3.38 -0.87 -3.35 115.31 113.62 3h1t h LEU 466 Ca -0.00 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3h1t h LEU 466 Cb 1.04 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3h1t h LEU 466 CO 0.08 1.20 0.56 0.28 0.09 0.00 0.00 178.44 180.66 3h1t h SER 467 N 0.02 0.88 0.60 -0.43 0.02 -0.96 0.53 113.55 114.20 3h1t h SER 467 Ca -0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3h1t h SER 467 Cb 2.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3h1t h SER 467 CO 0.09 0.58 0.00 -1.14 -1.14 0.00 0.00 176.83 175.22 3h1t n ARG 468 N -4.47 0.08 -0.08 3.45 0.63 -0.79 -2.42 116.66 113.07 3h1t n ARG 468 Ca 0.12 0.33 -0.10 0.00 -0.92 0.00 0.00 57.85 57.28 3h1t n ARG 468 Cb 0.16 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.33 3h1t n ARG 468 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3h1t n LYS 469 N -1.82 0.69 -3.80 -0.14 4.81 -0.19 -4.85 118.16 112.86 3h1t n LYS 469 Ca 0.03 0.07 -0.30 0.00 -0.87 0.00 0.00 58.31 57.24 3h1t n LYS 469 Cb 0.19 -1.32 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 3h1t n LYS 469 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3h1t s HIS 470 N -2.31 2.37 0.62 5.64 3.76 0.17 -5.00 115.29 120.54 3h1t s HIS 470 Ca -0.18 -2.43 0.30 0.00 -0.15 0.00 0.00 55.06 52.59 3h1t s HIS 470 Cb 0.05 -2.14 1.61 0.00 1.11 0.00 0.00 32.58 33.21 3h1t s HIS 470 CO 0.39 -0.83 1.96 -1.35 -0.85 0.00 0.00 174.74 174.06 3h1t h PRO 471 N 7.23 0.00 -0.73 8.40 0.11 -1.72 -1.85 132.00 143.43 3h1t h PRO 471 Ca -0.06 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.60 3h1t h PRO 471 Cb 0.96 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.82 3h1t h PRO 471 CO 0.51 0.00 0.19 -0.40 -0.21 0.00 0.00 178.00 178.09 3h1t n ASP 472 N -3.38 4.56 -0.15 -2.05 5.75 -1.26 -4.66 116.55 115.37 3h1t n ASP 472 Ca 0.02 -3.75 -0.05 0.00 -0.01 0.00 0.00 54.79 51.01 3h1t n ASP 472 Cb 0.47 -0.72 0.04 0.00 -1.03 0.00 0.00 41.12 39.88 3h1t n ASP 472 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3h1t h TYR 473 N 1.48 0.37 -4.04 2.11 3.20 -1.67 -3.26 116.97 115.16 3h1t h TYR 473 Ca 0.44 0.02 -0.69 0.00 3.14 0.00 0.00 58.73 61.64 3h1t h TYR 473 Cb 1.66 -0.10 -0.23 0.00 1.54 0.00 0.00 36.73 39.61 3h1t h TYR 473 CO 1.23 0.16 -0.83 0.08 -1.64 0.00 0.00 178.16 177.16 3h1t s VAL 474 N -6.14 2.54 -0.06 1.81 1.01 -1.26 -0.54 120.40 117.76 3h1t s VAL 474 Ca -0.13 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.33 3h1t s VAL 474 Cb 0.13 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.49 3h1t s VAL 474 CO 0.73 0.30 0.41 0.00 0.00 0.00 0.00 175.10 176.54 3h1t s ALA 475 N -0.92 -1.05 -0.18 5.51 0.00 0.06 -4.97 121.76 120.20 3h1t s ALA 475 Ca 0.14 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 3h1t s ALA 475 Cb -0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3h1t s ALA 475 CO 0.05 -0.27 0.11 0.50 0.00 0.00 0.00 175.76 176.15 3h1t s ARG 476 N -0.93 4.03 -0.34 0.00 3.52 -1.26 -0.93 118.95 123.04 3h1t s ARG 476 Ca -0.10 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3h1t s ARG 476 Cb -0.04 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.12 3h1t s ARG 476 CO 0.05 0.34 0.06 0.08 -0.81 0.00 0.00 175.30 175.02 3h1t s VAL 477 N 0.21 2.49 0.24 7.11 1.01 0.24 -4.72 120.40 126.97 3h1t s VAL 477 Ca 0.07 -2.16 -0.01 0.00 0.00 0.00 0.00 61.98 59.88 3h1t s VAL 477 Cb -0.11 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3h1t s VAL 477 CO -0.01 -0.52 0.23 0.28 0.00 0.00 0.00 175.10 175.08 3h1t s THR 478 N 0.99 0.00 0.27 3.92 -1.32 -1.26 -4.39 115.64 113.85 3h1t s THR 478 Ca 0.07 -1.89 -0.03 0.00 -1.21 0.00 0.00 61.69 58.63 3h1t s THR 478 Cb -0.20 -2.47 0.20 0.00 -1.51 0.00 0.00 72.50 68.53 3h1t s THR 478 CO -0.07 0.00 1.88 0.28 -2.21 0.00 0.00 174.62 174.50 3h1t h SER 479 N 2.45 0.92 -0.21 8.08 0.02 -1.97 -2.58 113.55 120.26 3h1t h SER 479 Ca -0.32 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3h1t h SER 479 Cb 1.25 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3h1t h SER 479 CO 0.47 0.78 0.07 -0.33 -1.14 0.00 0.00 176.83 176.67 3h1t h GLU 480 N 1.02 0.39 0.00 3.45 5.08 -2.00 -2.63 114.58 119.90 3h1t h GLU 480 Ca 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3h1t h GLU 480 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3h1t h GLU 480 CO -0.03 0.37 0.00 0.39 -1.00 0.00 0.00 179.01 178.73 3h1t n GLU 481 N -4.38 0.85 0.00 2.33 -0.58 -0.97 -4.95 120.64 112.93 3h1t n GLU 481 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3h1t n GLU 481 Cb 0.16 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3h1t n GLU 481 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1t n GLY 482 N 0.60 1.18 0.27 0.62 0.00 -0.99 0.19 105.19 107.06 3h1t n GLY 482 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3h1t n GLY 482 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h1t h LYS 483 N 0.00 0.25 -0.44 1.61 3.64 -1.92 -1.41 116.57 118.29 3h1t h LYS 483 Ca 0.00 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3h1t h LYS 483 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3h1t h LYS 483 CO 0.00 0.22 -0.28 0.82 -2.27 0.00 0.00 179.45 177.94 3h1t h ILE 484 N 0.25 1.27 -0.12 2.00 1.08 -1.87 -2.41 117.51 117.71 3h1t h ILE 484 Ca 0.06 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 3h1t h ILE 484 Cb 0.07 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 3h1t h ILE 484 CO -0.01 0.49 0.04 1.23 -0.69 0.00 0.00 178.15 179.22 3h1t h GLY 485 N 0.84 0.14 0.67 5.37 0.00 0.77 -2.32 103.07 108.54 3h1t h GLY 485 Ca 0.09 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.50 3h1t h GLY 485 CO 0.08 0.02 0.58 0.50 0.00 0.00 0.00 176.54 177.72 3h1t h LYS 486 N 0.11 0.85 -0.28 4.80 1.79 -1.24 -1.66 116.57 120.94 3h1t h LYS 486 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3h1t h LYS 486 Cb 0.02 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 3h1t h LYS 486 CO -0.05 0.56 0.18 0.78 -1.08 0.00 0.00 179.45 179.85 3h1t h GLY 487 N 0.87 0.39 0.98 3.86 0.00 -0.91 -0.29 103.07 107.98 3h1t h GLY 487 Ca 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3h1t h GLY 487 CO -0.19 0.15 0.25 0.45 0.00 0.00 0.00 176.54 177.20 3h1t h HIS 488 N 0.37 0.75 -0.36 5.60 3.86 -1.05 -2.60 115.15 121.73 3h1t h HIS 488 Ca 0.10 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3h1t h HIS 488 Cb -0.03 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3h1t h HIS 488 CO -0.06 0.59 0.21 1.25 0.86 0.00 0.00 177.93 180.79 3h1t h LEU 489 N 0.70 0.44 -0.34 2.43 5.85 -1.13 -1.34 115.31 121.92 3h1t h LEU 489 Ca 0.18 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3h1t h LEU 489 Cb 0.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3h1t h LEU 489 CO -0.02 0.37 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.16 3h1t h SER 490 N 0.47 -0.15 -0.09 1.25 0.87 -0.84 -1.31 113.55 113.75 3h1t h SER 490 Ca 0.13 0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 3h1t h SER 490 Cb 0.02 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3h1t h SER 490 CO -0.02 -0.04 -0.42 0.03 -0.53 0.00 0.00 176.83 175.85 3h1t h ARG 491 N 0.09 0.63 -0.89 2.24 3.08 -1.38 -3.09 114.38 115.06 3h1t h ARG 491 Ca 0.17 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.90 3h1t h ARG 491 Cb 0.23 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3h1t h ARG 491 CO -0.28 0.93 0.59 0.35 -1.07 0.00 0.00 179.97 180.48 3h1t h PHE 492 N 0.51 1.11 0.00 3.04 3.57 -0.71 -2.35 116.94 122.11 3h1t h PHE 492 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3h1t h PHE 492 Cb 0.94 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3h1t h PHE 492 CO 0.04 0.68 -0.12 1.96 -2.23 0.00 0.00 178.31 178.64 3h1t h GLN 493 N 1.18 0.00 -6.71 1.11 4.20 -1.18 -3.44 115.11 110.27 3h1t h GLN 493 Ca 0.33 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.52 3h1t h GLN 493 Cb -0.10 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.72 3h1t h GLN 493 CO -0.08 0.12 0.64 -1.21 -0.67 0.00 0.00 178.83 177.62 3h1t s GLU 494 N -3.86 4.40 0.26 1.46 2.02 -0.88 -4.58 118.70 117.51 3h1t s GLU 494 Ca -0.01 2.05 -0.03 0.00 0.02 0.00 0.00 54.97 57.01 3h1t s GLU 494 Cb 0.11 -3.18 0.32 0.00 0.10 0.00 0.00 34.13 31.48 3h1t s GLU 494 CO 0.58 -0.21 1.79 -0.07 0.02 0.00 0.00 175.26 177.37 3h1t h LEU 495 N 5.00 0.84 -0.39 1.80 3.38 -1.87 -3.25 115.31 120.82 3h1t h LEU 495 Ca -0.45 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3h1t h LEU 495 Cb 1.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3h1t h LEU 495 CO 0.75 0.84 -0.24 1.21 0.09 0.00 0.00 178.44 181.08 3h1t n GLU 496 N -4.25 0.73 -3.46 1.13 4.07 -1.26 -4.91 120.64 112.68 3h1t n GLU 496 Ca 0.04 -0.39 -0.36 0.00 -0.06 0.00 0.00 57.16 56.39 3h1t n GLU 496 Cb 0.25 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.08 3h1t n GLU 496 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3h1t s THR 497 N -2.54 4.97 -0.29 6.31 -4.23 -1.23 -5.01 115.64 113.63 3h1t s THR 497 Ca 0.24 0.73 0.23 0.00 -1.18 0.00 0.00 61.69 61.71 3h1t s THR 497 Cb 0.19 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.26 3h1t s THR 497 CO 0.52 0.36 0.98 -1.54 -0.54 0.00 0.00 174.62 174.41 3h1t n SER 498 N 1.14 0.68 -4.01 3.99 3.41 -1.26 -4.96 113.62 112.62 3h1t n SER 498 Ca -0.09 0.19 -0.08 0.00 -0.26 0.00 0.00 58.87 58.64 3h1t n SER 498 Cb 0.52 0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 65.07 3h1t n SER 498 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3h1t s THR 499 N -3.35 0.18 0.75 6.66 -4.23 -1.26 -4.27 115.64 110.11 3h1t s THR 499 Ca -0.01 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 3h1t s THR 499 Cb 0.11 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.81 3h1t s THR 499 CO 0.80 -0.80 1.17 -2.65 -0.54 0.00 0.00 174.62 172.60 3h1t n PRO 500 N 0.44 0.51 -0.11 3.99 -0.02 -1.23 -4.53 135.00 134.05 3h1t n PRO 500 Ca -0.17 0.24 -0.19 0.00 -2.02 0.00 0.00 63.50 61.37 3h1t n PRO 500 Cb 0.60 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 3h1t n PRO 500 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3h1t n VAL 501 N -2.74 1.54 -4.78 -1.45 0.31 0.29 -4.76 118.33 106.74 3h1t n VAL 501 Ca 0.14 -0.58 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 3h1t n VAL 501 Cb 0.50 -1.47 -0.15 0.00 -0.91 0.00 0.00 33.84 31.80 3h1t n VAL 501 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3h1t s ILE 502 N -2.53 2.62 -0.07 2.52 -1.09 -0.74 0.90 121.20 122.80 3h1t s ILE 502 Ca -0.33 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.32 3h1t s ILE 502 Cb 0.09 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 3h1t s ILE 502 CO 0.63 0.53 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.94 3h1t s LEU 503 N 0.55 2.54 0.04 2.97 1.43 -0.16 -0.76 118.68 125.30 3h1t s LEU 503 Ca -0.10 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3h1t s LEU 503 Cb -0.16 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3h1t s LEU 503 CO 0.04 0.27 -0.10 0.42 0.23 0.00 0.00 176.35 177.21 3h1t s THR 504 N -0.28 3.39 0.22 5.49 -4.23 -0.10 -0.35 115.64 119.77 3h1t s THR 504 Ca 0.01 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.43 3h1t s THR 504 Cb -0.13 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3h1t s THR 504 CO 0.03 0.29 0.42 1.07 -0.54 0.00 0.00 174.62 175.89 3h1t n THR 505 N 1.27 0.00 0.03 3.99 5.66 -0.82 -0.59 114.28 123.82 3h1t n THR 505 Ca -0.15 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 3h1t n THR 505 Cb 0.52 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 3h1t n THR 505 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3h1t n SER 506 N -1.37 0.19 -0.04 1.09 3.41 -1.26 -0.24 113.62 115.40 3h1t n SER 506 Ca -0.04 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 3h1t n SER 506 Cb 0.33 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3h1t n SER 506 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3h1t n GLN 507 N -2.82 0.16 -0.31 4.33 -0.06 -1.26 -4.55 117.38 112.86 3h1t n GLN 507 Ca 0.00 0.06 0.27 0.00 -2.00 0.00 0.00 57.00 55.33 3h1t n GLN 507 Cb 0.00 -0.84 0.50 0.00 -4.06 0.00 0.00 30.24 25.85 3h1t n GLN 507 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3h1t n LEU 508 N -3.19 0.24 -0.68 1.69 7.94 -1.26 -0.77 117.00 120.97 3h1t n LEU 508 Ca -0.14 1.59 0.08 0.00 -1.11 0.00 0.00 56.01 56.43 3h1t n LEU 508 Cb 0.61 -0.73 0.23 0.00 0.53 0.00 0.00 43.42 44.05 3h1t n LEU 508 CO 0.02 -1.74 0.68 0.18 -1.11 0.00 0.00 177.39 175.42 3h1t n LEU 509 N -5.20 2.00 -0.20 -1.96 4.77 -1.26 -1.75 117.00 113.39 3h1t n LEU 509 Ca 0.33 -0.96 -0.07 0.00 -0.03 0.00 0.00 56.01 55.29 3h1t n LEU 509 Cb 1.13 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 42.03 3h1t n LEU 509 CO -0.01 0.48 1.07 0.71 -1.33 0.00 0.00 177.39 178.31 3h1t h THR 510 N 2.32 1.18 0.00 -5.08 1.35 -1.27 -3.17 112.91 108.24 3h1t h THR 510 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3h1t h THR 510 Cb 0.52 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 3h1t h THR 510 CO 0.00 0.19 0.00 0.35 -0.25 0.00 0.00 175.52 175.81 3h1t n THR 511 N -4.62 0.72 0.04 6.82 -2.24 -1.25 -4.34 114.28 109.41 3h1t n THR 511 Ca 0.04 -0.76 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 3h1t n THR 511 Cb 0.06 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 3h1t n THR 511 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3h1t h GLY 512 N 0.00 0.00 -5.45 3.38 0.00 -1.31 -3.47 103.07 96.21 3h1t h GLY 512 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 3h1t h GLY 512 CO 0.00 0.00 -0.37 0.14 0.00 0.00 0.00 176.54 176.31 3h1t s VAL 513 N -2.72 5.32 -0.50 4.60 1.01 -1.24 -4.94 120.40 121.93 3h1t s VAL 513 Ca -0.00 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3h1t s VAL 513 Cb 0.09 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 33.10 3h1t s VAL 513 CO 0.81 0.58 0.34 -0.62 0.00 0.00 0.00 175.10 176.22 3h1t s ASP 514 N -0.89 3.14 -0.36 3.32 2.15 -1.26 -4.96 116.67 117.81 3h1t s ASP 514 Ca 0.18 -3.09 0.01 0.00 0.43 0.00 0.00 52.55 50.08 3h1t s ASP 514 Cb -0.14 -0.95 0.11 0.00 -0.30 0.00 0.00 42.92 41.65 3h1t s ASP 514 CO 0.07 -0.19 0.14 0.00 -0.17 0.00 0.00 175.17 175.03 3h1t s ALA 515 N -0.20 1.99 0.39 3.66 0.00 -1.26 -4.79 121.76 121.54 3h1t s ALA 515 Ca 0.25 -2.14 0.07 0.00 0.00 0.00 0.00 51.96 50.14 3h1t s ALA 515 Cb -0.09 -1.78 0.83 0.00 0.00 0.00 0.00 23.12 22.08 3h1t s ALA 515 CO -0.11 -1.81 2.00 -1.00 0.00 0.00 0.00 175.76 174.84 3h1t h PRO 516 N 7.54 0.61 -0.31 0.00 0.13 -1.88 -2.41 132.00 135.67 3h1t h PRO 516 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3h1t h PRO 516 Cb 0.98 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3h1t h PRO 516 CO 0.49 0.41 0.00 0.25 -0.23 0.00 0.00 178.00 178.91 3h1t n THR 517 N -4.47 0.04 -2.01 1.56 -2.24 -1.26 -4.67 114.28 101.23 3h1t n THR 517 Ca 0.07 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3h1t n THR 517 Cb 0.18 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 3h1t n THR 517 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1t n LYS 519 N 6.13 1.07 -4.33 0.00 5.02 0.20 -4.75 118.16 121.50 3h1t n LYS 519 Ca 0.16 -0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 3h1t n LYS 519 Cb 0.42 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.04 3h1t n LYS 519 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h1t s ASN 520 N -3.04 1.45 -0.24 4.39 0.01 -1.02 -1.49 114.94 115.01 3h1t s ASN 520 Ca -0.02 -0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 51.90 3h1t s ASN 520 Cb 0.08 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 41.11 3h1t s ASN 520 CO 0.48 -0.02 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.28 3h1t s VAL 521 N 0.89 2.72 -0.17 1.60 1.01 0.15 -2.06 120.40 124.54 3h1t s VAL 521 Ca -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 3h1t s VAL 521 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3h1t s VAL 521 CO 0.01 0.20 -0.04 -0.69 0.00 0.00 0.00 175.10 174.58 3h1t s VAL 522 N 1.29 3.77 -0.37 2.92 1.01 0.10 -1.67 120.40 127.45 3h1t s VAL 522 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 3h1t s VAL 522 Cb -0.17 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3h1t s VAL 522 CO -0.05 0.48 0.27 -0.76 0.00 0.00 0.00 175.10 175.04 3h1t s LEU 523 N 0.58 4.75 -0.27 3.92 1.43 -0.25 -0.48 118.68 128.35 3h1t s LEU 523 Ca -0.03 -0.60 0.19 0.00 -1.03 0.00 0.00 54.13 52.65 3h1t s LEU 523 Cb -0.14 -2.16 0.50 0.00 0.03 0.00 0.00 46.19 44.41 3h1t s LEU 523 CO 0.03 -0.33 1.13 0.00 0.23 0.00 0.00 176.35 177.41 3h1t n ALA 524 N 5.14 3.25 -3.14 4.21 0.00 0.20 -1.65 120.51 128.53 3h1t n ALA 524 Ca -0.12 -3.04 -0.09 0.00 0.00 0.00 0.00 53.44 50.19 3h1t n ALA 524 Cb 0.49 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 3h1t n ALA 524 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3h1t s ARG 525 N -3.74 1.40 -0.36 0.00 1.70 -1.11 -3.28 118.95 113.56 3h1t s ARG 525 Ca 0.33 -1.09 -0.25 0.00 -0.47 0.00 0.00 55.73 54.25 3h1t s ARG 525 Cb 0.35 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 35.21 3h1t s ARG 525 CO -0.02 -0.58 0.88 0.08 -1.08 0.00 0.00 175.30 174.59 3h1t s VAL 526 N -3.95 4.63 -0.22 4.99 1.01 -1.26 -4.83 120.40 120.77 3h1t s VAL 526 Ca 0.16 1.11 -0.21 0.00 0.00 0.00 0.00 61.98 63.04 3h1t s VAL 526 Cb -0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3h1t s VAL 526 CO 0.03 -0.50 0.67 -0.69 0.00 0.00 0.00 175.10 174.61 3h1t s VAL 527 N 3.35 4.98 -2.60 2.92 1.01 -1.26 -4.94 120.40 123.86 3h1t s VAL 527 Ca 0.36 1.25 0.24 0.00 0.00 0.00 0.00 61.98 63.83 3h1t s VAL 527 Cb -0.12 -3.98 0.38 0.00 0.00 0.00 0.00 36.38 32.66 3h1t s VAL 527 CO 0.18 0.06 1.38 -3.20 0.00 0.00 0.00 175.10 173.52 3h1t n ASN 528 N 5.35 3.37 0.00 3.32 2.85 -1.26 -5.04 115.26 123.85 3h1t n ASN 528 Ca 0.00 -1.99 0.00 0.00 -0.11 0.00 0.00 54.58 52.48 3h1t n ASN 528 Cb 0.49 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.31 3h1t n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3h1t n SER 529 N 1.46 3.49 0.00 1.20 3.41 -1.26 -5.06 113.62 116.87 3h1t n SER 529 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3h1t n SER 529 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3h1t n SER 529 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h1t n SER 531 N 0.00 0.00 -0.17 4.04 7.64 -1.26 -1.61 113.62 122.26 3h1t n SER 531 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3h1t n SER 531 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3h1t n SER 531 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3h1t h GLU 532 N 0.00 0.94 -0.08 1.43 4.81 -1.99 -2.21 114.58 117.48 3h1t h GLU 532 Ca 0.00 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3h1t h GLU 532 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3h1t h GLU 532 CO 0.00 1.00 -0.02 0.35 -0.73 0.00 0.00 179.01 179.61 3h1t h PHE 533 N 0.79 -0.05 0.00 0.92 3.57 -1.71 -1.35 116.94 119.12 3h1t h PHE 533 Ca 0.13 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3h1t h PHE 533 Cb 0.63 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3h1t h PHE 533 CO 0.05 -0.04 -0.18 0.87 -2.23 0.00 0.00 178.31 176.78 3h1t h LYS 534 N -0.00 0.00 -0.23 1.11 1.57 -1.82 -0.54 116.57 116.65 3h1t h LYS 534 Ca 0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 3h1t h LYS 534 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h1t h LYS 534 CO -0.08 0.18 -0.65 1.96 -0.57 0.00 0.00 179.45 180.29 3h1t h GLN 535 N 0.00 0.83 0.25 3.15 4.20 -0.94 -0.87 115.11 121.72 3h1t h GLN 535 Ca -0.00 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 3h1t h GLN 535 Cb 0.35 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3h1t h GLN 535 CO 0.02 1.21 -0.12 0.82 -0.67 0.00 0.00 178.83 180.09 3h1t h ILE 536 N 0.61 0.81 -0.09 2.54 2.04 -0.55 -2.77 117.51 120.09 3h1t h ILE 536 Ca -0.01 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3h1t h ILE 536 Cb 1.26 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3h1t h ILE 536 CO 0.14 0.09 0.06 0.58 0.00 0.00 0.00 178.15 179.02 3h1t h VAL 537 N -0.55 0.99 0.00 1.67 2.07 -1.15 -0.92 116.25 118.36 3h1t h VAL 537 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3h1t h VAL 537 Cb 0.40 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3h1t h VAL 537 CO 0.06 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3h1t n GLY 538 N -1.54 -0.70 0.19 2.17 0.00 -0.34 -2.71 105.19 102.26 3h1t n GLY 538 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.96 3h1t n GLY 538 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h1t h ARG 539 N 0.00 0.00 -0.03 1.61 2.47 -1.11 -3.32 114.38 114.00 3h1t h ARG 539 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3h1t h ARG 539 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3h1t h ARG 539 CO 0.00 0.31 0.00 0.41 0.56 0.00 0.00 179.97 181.25 3h1t n GLY 540 N 0.59 -0.35 0.00 0.04 0.00 -1.10 -4.68 105.19 99.69 3h1t n GLY 540 Ca 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3h1t n GLY 540 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1t n THR 541 N 0.42 0.25 -2.40 2.61 -2.24 -1.25 -4.68 114.28 107.00 3h1t n THR 541 Ca 0.05 0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 3h1t n THR 541 Cb 0.21 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 3h1t n THR 541 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3h1t s ARG 542 N -2.69 4.56 0.04 -0.78 6.06 -1.26 0.13 118.95 125.00 3h1t s ARG 542 Ca 0.20 1.87 -0.06 0.00 -2.50 0.00 0.00 55.73 55.24 3h1t s ARG 542 Cb 0.16 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.93 3h1t s ARG 542 CO 0.39 0.07 0.29 -0.51 -2.50 0.00 0.00 175.30 173.04 3h1t s LEU 543 N -1.09 4.36 -0.44 -0.88 1.43 -1.26 -4.66 118.68 116.13 3h1t s LEU 543 Ca 0.48 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 3h1t s LEU 543 Cb -0.33 -2.80 0.32 0.00 0.03 0.00 0.00 46.19 43.41 3h1t s LEU 543 CO 0.41 0.21 1.03 0.54 0.23 0.00 0.00 176.35 178.78 3h1t n ARG 544 N 0.92 1.00 -0.25 1.70 5.12 -0.24 -4.95 116.66 119.97 3h1t n ARG 544 Ca -0.09 -2.20 0.26 0.00 -1.93 0.00 0.00 57.85 53.89 3h1t n ARG 544 Cb 0.52 -1.17 0.63 0.00 -1.16 0.00 0.00 32.46 31.28 3h1t n ARG 544 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3h1t h GLU 545 N 3.05 0.18 -0.54 5.56 4.81 -1.78 0.40 114.58 126.26 3h1t h GLU 545 Ca -0.06 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3h1t h GLU 545 Cb 1.07 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 3h1t h GLU 545 CO 0.21 0.12 -0.12 0.22 -0.73 0.00 0.00 179.01 178.71 3h1t h ASP 546 N 0.18 -0.47 -0.85 1.04 3.58 -1.92 -2.23 116.42 115.76 3h1t h ASP 546 Ca 0.50 0.16 -0.55 0.00 0.42 0.00 0.00 57.03 57.55 3h1t h ASP 546 Cb 1.63 0.32 -0.30 0.00 1.72 0.00 0.00 39.33 42.71 3h1t h ASP 546 CO -0.11 -0.17 0.31 -1.22 -2.88 0.00 0.00 179.24 175.17 3h1t n TYR 547 N -5.37 2.79 -1.24 0.28 4.01 0.11 -4.91 117.16 112.84 3h1t n TYR 547 Ca 0.06 -2.47 -0.08 0.00 -0.16 0.00 0.00 57.90 55.24 3h1t n TYR 547 Cb 0.29 -0.99 -0.04 0.00 -0.31 0.00 0.00 39.34 38.30 3h1t n TYR 547 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1t n GLY 548 N -0.93 0.93 3.35 2.72 0.00 -0.84 -4.97 105.19 105.45 3h1t n GLY 548 Ca 0.54 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.87 3h1t n GLY 548 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1t s LYS 549 N -2.42 3.00 0.00 1.61 2.47 0.49 -4.83 119.74 120.06 3h1t s LYS 549 Ca 0.00 -1.52 0.00 0.00 -1.56 0.00 0.00 55.97 52.89 3h1t s LYS 549 Cb 0.00 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 3h1t s LYS 549 CO 0.00 -1.23 0.00 1.28 0.16 0.00 0.00 175.35 175.56 3h1t n LEU 550 N 5.34 0.00 -3.91 5.43 4.77 -1.26 -1.07 117.00 126.29 3h1t n LEU 550 Ca -0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 3h1t n LEU 550 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3h1t n LEU 550 CO 0.52 0.00 0.36 -1.66 -1.33 0.00 0.00 177.39 175.28 3h1t s TRP 551 N -1.96 0.19 0.19 -1.77 1.48 -1.26 -4.04 118.94 111.77 3h1t s TRP 551 Ca 0.00 -0.65 -0.08 0.00 -1.06 0.00 0.00 56.10 54.31 3h1t s TRP 551 Cb 0.00 0.50 -0.02 0.00 -1.16 0.00 0.00 33.47 32.79 3h1t s TRP 551 CO 0.00 -1.24 0.28 -0.59 -4.06 0.00 0.00 176.95 171.34 3h1t s PHE 552 N -3.46 0.58 0.01 1.66 -0.71 -0.61 -4.87 117.98 110.58 3h1t s PHE 552 Ca 0.18 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.17 3h1t s PHE 552 Cb -0.04 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 3h1t s PHE 552 CO 0.10 -0.75 0.01 -0.80 -1.34 0.00 0.00 175.22 172.44 3h1t s ASN 553 N -3.02 5.15 -0.32 1.98 0.01 -0.55 -1.09 114.94 117.10 3h1t s ASN 553 Ca 0.23 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.39 3h1t s ASN 553 Cb 0.03 -1.34 0.09 0.00 0.41 0.00 0.00 41.25 40.45 3h1t s ASN 553 CO 0.05 0.26 0.02 -0.63 -1.51 0.00 0.00 177.10 175.29 3h1t s ILE 554 N -1.13 2.03 -0.31 0.60 1.01 0.22 -0.68 121.20 122.94 3h1t s ILE 554 Ca 0.21 -2.04 -0.19 0.00 0.00 0.00 0.00 60.65 58.63 3h1t s ILE 554 Cb -0.12 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3h1t s ILE 554 CO 0.12 -0.48 0.58 -0.63 0.00 0.00 0.00 174.94 174.53 3h1t s ILE 555 N 1.06 4.98 -0.39 2.92 1.09 -0.67 -1.33 121.20 128.86 3h1t s ILE 555 Ca 0.07 0.75 -0.09 0.00 -1.10 0.00 0.00 60.65 60.28 3h1t s ILE 555 Cb -0.19 -3.96 0.05 0.00 -1.06 0.00 0.00 42.46 37.31 3h1t s ILE 555 CO -0.10 -0.11 0.21 -0.62 -0.10 0.00 0.00 174.94 174.22 3h1t s ASP 556 N 1.65 5.58 0.00 3.58 -1.08 0.20 -1.09 116.67 125.50 3h1t s ASP 556 Ca 0.23 -1.28 0.24 0.00 -0.52 0.00 0.00 52.55 51.22 3h1t s ASP 556 Cb -0.15 -1.97 0.30 0.00 -1.46 0.00 0.00 42.92 39.64 3h1t s ASP 556 CO 0.12 -0.44 1.27 -1.22 0.52 0.00 0.00 175.17 175.41 3h1t n TYR 557 N 4.91 0.00 0.16 -5.34 4.01 -0.66 0.07 117.16 120.32 3h1t n TYR 557 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.66 3h1t n TYR 557 Cb 0.44 -0.08 0.24 0.00 -0.31 0.00 0.00 39.34 39.63 3h1t n TYR 557 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3h1t h THR 558 N 1.29 1.07 -3.87 -0.72 1.35 -1.79 -3.46 112.91 106.78 3h1t h THR 558 Ca 0.00 -1.85 -0.21 0.00 -0.55 0.00 0.00 66.41 63.81 3h1t h THR 558 Cb 0.59 2.08 0.09 0.00 -1.73 0.00 0.00 68.15 69.18 3h1t h THR 558 CO 0.00 0.47 -0.40 0.61 -0.25 0.00 0.00 175.52 175.95 3h1t n GLY 559 N 0.40 0.06 0.00 5.82 0.00 -1.25 -4.73 105.19 105.48 3h1t n GLY 559 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3h1t n GLY 559 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1t n SER 560 N -1.57 0.00 -0.29 1.61 3.41 -1.26 -5.02 113.62 110.50 3h1t n SER 560 Ca -0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 3h1t n SER 560 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3h1t n SER 560 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1t h ALA 561 N 0.00 -0.06 0.00 7.33 0.00 -1.95 0.74 119.26 125.33 3h1t h ALA 561 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h1t h ALA 561 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h1t h ALA 561 CO 0.00 -0.71 0.00 1.79 0.00 0.00 0.00 179.25 180.33 3h1t h THR 562 N -0.10 0.00 0.08 0.00 1.35 -1.96 -0.32 112.91 111.96 3h1t h THR 562 Ca 0.26 -0.17 -0.34 0.00 -0.55 0.00 0.00 66.41 65.61 3h1t h THR 562 Cb 0.56 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 3h1t h THR 562 CO -0.82 0.00 -1.91 0.00 -0.25 0.00 0.00 175.52 172.54 3h1t n GLN 563 N -2.88 0.69 -0.17 4.72 6.02 0.13 -3.46 117.38 122.44 3h1t n GLN 563 Ca -0.01 0.32 -0.07 0.00 -0.01 0.00 0.00 57.00 57.23 3h1t n GLN 563 Cb 0.15 -1.69 0.02 0.00 1.02 0.00 0.00 30.24 29.74 3h1t n GLN 563 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3h1t h ASN 564 N -0.25 0.57 -0.60 1.08 -0.73 0.59 -2.97 115.58 113.27 3h1t h ASN 564 Ca -0.44 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 57.65 3h1t h ASN 564 Cb 1.82 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 40.23 3h1t h ASN 564 CO -0.03 0.41 0.08 0.49 -0.37 0.00 0.00 177.43 178.01 3h1t n PHE 565 N -4.74 2.10 -1.71 0.67 3.72 -0.16 -4.98 117.46 112.36 3h1t n PHE 565 Ca 0.02 -0.90 -0.43 0.00 -0.05 0.00 0.00 57.45 56.09 3h1t n PHE 565 Cb 0.02 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 37.98 3h1t n PHE 565 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h1t n ALA 566 N 0.27 2.15 -3.22 4.37 0.00 -1.13 -4.95 120.51 118.00 3h1t n ALA 566 Ca 0.31 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.98 3h1t n ALA 566 Cb 1.24 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 3h1t n ALA 566 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h1t s ASP 567 N 0.76 0.59 0.39 0.00 -1.08 -1.26 -5.00 116.67 111.07 3h1t s ASP 567 Ca 0.71 -2.21 0.12 0.00 -0.52 0.00 0.00 52.55 50.65 3h1t s ASP 567 Cb -0.56 0.51 0.81 0.00 -1.46 0.00 0.00 42.92 42.22 3h1t s ASP 567 CO 0.41 -0.17 1.90 -0.65 0.52 0.00 0.00 175.17 177.18 3h1t h PRO 568 N 5.97 0.09 -0.30 4.34 0.11 -1.93 0.17 132.00 140.46 3h1t h PRO 568 Ca 0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3h1t h PRO 568 Cb 1.01 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3h1t h PRO 568 CO 0.22 0.33 0.13 -0.44 -0.21 0.00 0.00 178.00 178.03 3h1t h ASP 569 N 0.08 0.41 0.33 -2.05 3.32 -1.95 0.61 116.42 117.18 3h1t h ASP 569 Ca 0.01 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.58 3h1t h ASP 569 Cb 0.48 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3h1t h ASP 569 CO 0.03 0.45 -1.84 0.33 -1.72 0.00 0.00 179.24 176.49 3h1t n PHE 570 N -4.75 1.11 0.21 4.55 7.35 -1.19 -4.50 117.46 120.25 3h1t n PHE 570 Ca -0.02 0.32 0.10 0.00 -0.76 0.00 0.00 57.45 57.09 3h1t n PHE 570 Cb 0.13 -1.18 -0.14 0.00 0.35 0.00 0.00 39.48 38.64 3h1t n PHE 570 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3h1t n ASP 571 N -3.23 0.58 -0.30 -2.13 8.00 0.60 -0.31 116.55 119.75 3h1t n ASP 571 Ca -0.23 -0.23 0.03 0.00 0.71 0.00 0.00 54.79 55.06 3h1t n ASP 571 Cb 1.05 1.69 -0.01 0.00 -0.02 0.00 0.00 41.12 43.83 3h1t n ASP 571 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1t n GLY 572 N 1.40 -2.07 3.94 0.44 0.00 0.21 -4.13 105.19 104.98 3h1t n GLY 572 Ca -0.02 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 3h1t n GLY 572 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1t s TYR 573 N -0.88 3.48 0.55 1.61 1.51 -1.26 -4.28 117.35 118.08 3h1t s TYR 573 Ca 0.00 0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 3h1t s TYR 573 Cb 0.00 -1.77 -0.06 0.00 -0.11 0.00 0.00 41.96 40.02 3h1t s TYR 573 CO 0.00 0.36 0.98 -1.25 -1.11 0.00 0.00 175.55 174.53 3h1t s PRO 574 N -3.67 3.80 0.09 -1.71 0.04 -1.26 -4.96 135.00 127.33 3h1t s PRO 574 Ca 0.37 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 3h1t s PRO 574 Cb -0.10 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 3h1t s PRO 574 CO 0.30 -0.36 1.65 0.93 0.04 0.00 0.00 177.00 179.57 3h1t h GLU 575 N 0.47 -0.52 -5.86 4.56 4.39 -1.87 -3.43 114.58 112.32 3h1t h GLU 575 Ca -0.46 0.04 -0.52 0.00 0.34 0.00 0.00 59.36 58.76 3h1t h GLU 575 Cb 1.19 0.12 -0.23 0.00 -0.10 0.00 0.00 28.75 29.73 3h1t h GLU 575 CO 0.62 -0.35 -0.81 0.42 -1.16 0.00 0.00 179.01 177.73 3h1t s ILE 576 N -6.09 1.49 -0.22 3.13 1.09 -1.26 -5.07 121.20 114.27 3h1t s ILE 576 Ca -0.16 -1.34 -0.04 0.00 -1.10 0.00 0.00 60.65 58.01 3h1t s ILE 576 Cb 0.06 -1.35 0.12 0.00 -1.06 0.00 0.00 42.46 40.22 3h1t s ILE 576 CO 0.64 -0.03 0.37 -0.70 -0.10 0.00 0.00 174.94 175.12 3h1t s GLU 577 N -1.61 0.32 0.22 2.79 2.12 -1.26 -0.97 118.70 120.31 3h1t s GLU 577 Ca 0.04 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.05 3h1t s GLU 577 Cb -0.09 -0.28 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 3h1t s GLU 577 CO 0.03 -0.52 0.06 0.16 -0.54 0.00 0.00 175.26 174.44 3h1t s ASP 578 N 2.54 1.16 -0.00 -1.70 1.47 -0.53 -4.99 116.67 114.62 3h1t s ASP 578 Ca 0.08 -1.29 0.03 0.00 1.18 0.00 0.00 52.55 52.55 3h1t s ASP 578 Cb -0.14 0.15 -0.01 0.00 -0.34 0.00 0.00 42.92 42.58 3h1t s ASP 578 CO -0.14 -0.66 -0.09 -0.70 0.68 0.00 0.00 175.17 174.25 3h1t s GLU 579 N -3.99 0.74 0.04 2.11 2.12 -1.26 -0.31 118.70 118.16 3h1t s GLU 579 Ca 0.32 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.33 3h1t s GLU 579 Cb 0.07 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 3h1t s GLU 579 CO 0.09 0.19 -0.11 0.14 -0.54 0.00 0.00 175.26 175.04 3h1t s VAL 580 N -0.28 0.86 -0.03 3.70 -7.23 0.18 -4.95 120.40 112.66 3h1t s VAL 580 Ca 0.03 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.15 3h1t s VAL 580 Cb -0.04 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 3h1t s VAL 580 CO -0.00 -0.11 0.29 -0.69 -0.31 0.00 0.00 175.10 174.28 3h1t s VAL 581 N -0.94 5.25 0.03 1.32 1.01 -1.26 -1.01 120.40 124.79 3h1t s VAL 581 Ca -0.02 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3h1t s VAL 581 Cb -0.08 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3h1t s VAL 581 CO 0.01 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 3h1t s ILE 582 N -1.15 0.86 0.70 2.22 -1.09 0.52 -1.58 121.20 121.67 3h1t s ILE 582 Ca 0.23 -0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3h1t s ILE 582 Cb -0.14 -0.79 0.15 0.00 -1.58 0.00 0.00 42.46 40.10 3h1t s ILE 582 CO 0.12 -0.02 0.95 -0.90 -1.23 0.00 0.00 174.94 173.86 3h1t n ASP 583 N 2.09 0.46 0.00 3.58 5.68 0.11 0.35 116.55 128.83 3h1t n ASP 583 Ca -0.18 -1.58 0.04 0.00 -0.50 0.00 0.00 54.79 52.57 3h1t n ASP 583 Cb 0.55 -0.69 0.20 0.00 -1.14 0.00 0.00 41.12 40.04 3h1t n ASP 583 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3h1t n GLU 584 N -2.93 0.12 0.00 0.11 -0.58 -1.26 -1.66 120.64 114.44 3h1t n GLU 584 Ca 0.13 0.20 0.07 0.00 -0.42 0.00 0.00 57.16 57.14 3h1t n GLU 584 Cb 0.46 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.87 3h1t n GLU 584 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3h1t n ASP 585 N -1.27 1.96 0.00 1.62 8.00 -1.26 -4.64 116.55 120.96 3h1t n ASP 585 Ca 0.04 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.06 3h1t n ASP 585 Cb 0.06 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3h1t n ASP 585 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1t n GLY 586 N 0.82 0.52 3.84 0.44 0.00 -0.66 -4.63 105.19 105.52 3h1t n GLY 586 Ca 0.07 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 3h1t n GLY 586 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1t s GLU 587 N -1.54 3.67 0.57 1.61 0.41 -1.26 -3.85 118.70 118.31 3h1t s GLU 587 Ca 0.00 -0.05 -0.17 0.00 -0.41 0.00 0.00 54.97 54.33 3h1t s GLU 587 Cb 0.00 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 29.06 3h1t s GLU 587 CO 0.00 0.66 1.07 -1.21 -0.49 0.00 0.00 175.26 175.29 3h1t s GLU 588 N -0.74 3.38 0.16 1.61 2.02 -1.26 -0.72 118.70 123.16 3h1t s GLU 588 Ca 0.15 1.32 0.07 0.00 0.02 0.00 0.00 54.97 56.54 3h1t s GLU 588 Cb -0.13 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 3h1t s GLU 588 CO 0.04 -0.77 -0.15 0.14 0.02 0.00 0.00 175.26 174.54 3h1t s VAL 589 N -2.23 1.61 0.00 2.63 -7.23 -0.61 -4.83 120.40 109.74 3h1t s VAL 589 Ca 0.66 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3h1t s VAL 589 Cb -0.18 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3h1t s VAL 589 CO 0.32 -0.45 0.17 1.33 -0.31 0.00 0.00 175.10 176.17