#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7a n ARG 4 N 0.00 1.12 -3.83 0.54 5.12 -0.12 -4.99 116.66 114.49 3h7a n ARG 4 Ca 0.00 -0.45 -0.25 0.00 -1.93 0.00 0.00 57.85 55.21 3h7a n ARG 4 Cb 0.00 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 29.93 3h7a n ARG 4 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3h7a n ASN 5 N -0.76 -2.27 -3.60 0.55 3.02 -1.26 -4.97 115.26 105.96 3h7a n ASN 5 Ca 0.06 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.63 3h7a n ASN 5 Cb 0.35 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 3h7a n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h7a s ALA 6 N -3.58 -1.17 0.16 5.41 0.00 -1.26 -4.15 121.76 117.17 3h7a s ALA 6 Ca 0.25 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.65 3h7a s ALA 6 Cb -0.12 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3h7a s ALA 6 CO 0.84 -0.53 0.02 0.95 0.00 0.00 0.00 175.76 177.03 3h7a s THR 7 N -2.80 3.87 -0.11 0.00 -4.23 0.17 -1.41 115.64 111.13 3h7a s THR 7 Ca -0.03 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3h7a s THR 7 Cb -0.00 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.91 3h7a s THR 7 CO -0.05 -0.09 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.10 3h7a s VAL 8 N -1.69 1.52 -0.26 2.29 1.01 -0.19 -1.62 120.40 121.46 3h7a s VAL 8 Ca 0.28 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3h7a s VAL 8 Cb -0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3h7a s VAL 8 CO 0.19 0.45 0.46 0.00 0.00 0.00 0.00 175.10 176.20 3h7a s ALA 9 N 0.93 3.58 -0.38 5.51 0.00 0.05 -0.27 121.76 131.17 3h7a s ALA 9 Ca -0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 3h7a s ALA 9 Cb -0.15 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.23 3h7a s ALA 9 CO -0.01 -0.68 0.18 0.08 0.00 0.00 0.00 175.76 175.33 3h7a s VAL 10 N 2.15 3.77 -0.46 0.00 1.01 0.61 -0.79 120.40 126.69 3h7a s VAL 10 Ca 0.19 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 3h7a s VAL 10 Cb -0.16 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.97 3h7a s VAL 10 CO 0.09 -0.41 0.45 -0.63 0.00 0.00 0.00 175.10 174.60 3h7a s ILE 11 N 1.34 5.11 0.00 2.22 1.01 -0.70 -1.10 121.20 129.08 3h7a s ILE 11 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3h7a s ILE 11 Cb -0.22 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3h7a s ILE 11 CO 0.01 -0.57 0.00 0.61 0.00 0.00 0.00 174.94 174.99 3h7a n GLY 12 N 5.17 0.72 1.43 6.18 0.00 -0.74 -0.15 105.19 117.80 3h7a n GLY 12 Ca -0.10 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3h7a n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a n ALA 13 N 0.00 2.88 1.20 4.61 0.00 0.03 -4.26 120.51 124.98 3h7a n ALA 13 Ca 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 53.44 52.19 3h7a n ALA 13 Cb 0.00 -1.01 0.45 0.00 0.00 0.00 0.00 19.45 18.90 3h7a n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7a n GLY 14 N 1.22 -1.01 3.97 0.00 0.00 -1.26 -3.68 105.19 104.42 3h7a n GLY 14 Ca 0.23 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3h7a n GLY 14 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h7a s ASP 15 N -2.69 4.87 0.24 1.61 -4.77 -1.26 -4.96 116.67 109.71 3h7a s ASP 15 Ca 0.21 -1.04 -0.04 0.00 -3.30 0.00 0.00 52.55 48.38 3h7a s ASP 15 Cb 0.19 0.34 0.28 0.00 -1.09 0.00 0.00 42.92 42.64 3h7a s ASP 15 CO 0.55 -1.21 1.76 1.88 0.70 0.00 0.00 175.17 178.85 3h7a h TYR 16 N 0.47 0.97 -0.26 2.11 0.05 -1.97 -1.12 116.97 117.23 3h7a h TYR 16 Ca -0.33 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.32 3h7a h TYR 16 Cb 1.30 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 3h7a h TYR 16 CO 0.71 0.83 0.12 0.82 -1.05 0.00 0.00 178.16 179.59 3h7a h ILE 17 N 0.88 1.15 -0.26 -2.88 2.04 -1.95 -1.64 117.51 114.86 3h7a h ILE 17 Ca 0.18 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3h7a h ILE 17 Cb 0.38 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3h7a h ILE 17 CO 0.01 0.15 0.13 1.23 0.00 0.00 0.00 178.15 179.67 3h7a h GLY 18 N 0.29 0.34 0.54 5.37 0.00 -1.70 -1.10 103.07 106.82 3h7a h GLY 18 Ca 0.09 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3h7a h GLY 18 CO -0.01 0.08 0.24 0.00 0.00 0.00 0.00 176.54 176.85 3h7a h ALA 19 N 1.13 0.71 -0.29 3.60 0.00 -1.12 -1.84 119.26 121.45 3h7a h ALA 19 Ca 0.10 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3h7a h ALA 19 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h7a h ALA 19 CO -0.07 -0.15 -0.26 0.93 0.00 0.00 0.00 179.25 179.70 3h7a h GLU 20 N 0.45 0.58 -0.35 0.00 4.39 -0.81 0.38 114.58 119.22 3h7a h GLU 20 Ca 0.27 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3h7a h GLU 20 Cb 0.26 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3h7a h GLU 20 CO -0.24 0.79 0.11 0.82 -1.16 0.00 0.00 179.01 179.33 3h7a h ILE 21 N 0.50 1.21 -0.09 3.13 2.04 -1.01 -0.44 117.51 122.86 3h7a h ILE 21 Ca 0.07 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3h7a h ILE 21 Cb 0.72 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3h7a h ILE 21 CO 0.06 0.24 -0.09 0.00 0.00 0.00 0.00 178.15 178.35 3h7a h ALA 22 N 0.95 -0.02 -0.52 1.87 0.00 -0.97 -1.62 119.26 118.96 3h7a h ALA 22 Ca 0.11 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3h7a h ALA 22 Cb 0.25 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3h7a h ALA 22 CO -0.00 -0.55 0.16 0.87 0.00 0.00 0.00 179.25 179.73 3h7a h LYS 23 N -0.11 0.32 0.21 0.00 1.57 -0.79 -2.08 116.57 115.69 3h7a h LYS 23 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3h7a h LYS 23 Cb 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3h7a h LYS 23 CO -0.15 0.21 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.61 3h7a h LYS 24 N 0.32 -0.27 0.00 3.15 1.63 -0.79 -1.30 116.57 119.31 3h7a h LYS 24 Ca 0.25 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3h7a h LYS 24 Cb 0.30 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3h7a h LYS 24 CO -0.28 -0.05 -0.41 0.74 -3.45 0.00 0.00 179.45 176.00 3h7a h PHE 25 N -0.46 0.00 -0.22 1.91 0.04 -1.25 -2.43 116.94 114.54 3h7a h PHE 25 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3h7a h PHE 25 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3h7a h PHE 25 CO -0.01 0.41 0.05 0.00 -0.60 0.00 0.00 178.31 178.16 3h7a h ALA 26 N 1.59 0.29 -0.31 2.45 0.00 -1.35 -1.98 119.26 119.95 3h7a h ALA 26 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h7a h ALA 26 Cb 0.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3h7a h ALA 26 CO 0.05 -0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.46 3h7a h ALA 27 N 0.86 2.11 -0.08 0.00 0.00 -1.01 -0.53 119.26 120.60 3h7a h ALA 27 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h7a h ALA 27 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h7a h ALA 27 CO 0.00 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.46 3h7a n GLU 28 N -4.47 1.33 -0.23 0.00 -0.58 -0.93 -4.91 120.64 110.83 3h7a n GLU 28 Ca 0.04 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 3h7a n GLU 28 Cb 0.28 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3h7a n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7a n GLY 29 N 0.91 0.83 3.83 0.62 0.00 -0.21 -4.76 105.19 106.41 3h7a n GLY 29 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3h7a n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h7a s PHE 30 N -2.10 3.36 -0.40 1.61 0.08 -0.76 -0.95 117.98 118.82 3h7a s PHE 30 Ca 0.00 1.48 -0.24 0.00 0.12 0.00 0.00 56.93 58.28 3h7a s PHE 30 Cb 0.00 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3h7a s PHE 30 CO 0.00 -0.01 0.86 0.99 -0.10 0.00 0.00 175.22 176.95 3h7a s THR 31 N -2.07 4.62 -0.04 0.64 2.01 -0.50 -4.19 115.64 116.11 3h7a s THR 31 Ca 0.58 0.88 -0.22 0.00 0.31 0.00 0.00 61.69 63.25 3h7a s THR 31 Cb -0.10 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 3h7a s THR 31 CO 0.15 -0.59 0.64 -0.69 -0.69 0.00 0.00 174.62 173.44 3h7a s VAL 32 N 3.38 4.99 -0.34 3.82 1.01 -0.76 -1.02 120.40 131.48 3h7a s VAL 32 Ca 0.34 1.32 -0.10 0.00 0.00 0.00 0.00 61.98 63.54 3h7a s VAL 32 Cb -0.12 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3h7a s VAL 32 CO 0.20 0.33 0.17 -0.36 0.00 0.00 0.00 175.10 175.45 3h7a s PHE 33 N 0.33 3.21 -0.15 5.22 0.40 0.62 -0.03 117.98 127.58 3h7a s PHE 33 Ca 0.34 -0.82 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 3h7a s PHE 33 Cb -0.18 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 3h7a s PHE 33 CO 0.17 -0.57 -0.04 0.00 0.70 0.00 0.00 175.22 175.48 3h7a s ALA 34 N 1.57 3.00 -0.02 5.36 0.00 0.33 -0.29 121.76 131.71 3h7a s ALA 34 Ca 0.03 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3h7a s ALA 34 Cb -0.18 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 3h7a s ALA 34 CO 0.06 0.23 -0.19 0.20 0.00 0.00 0.00 175.76 176.07 3h7a s GLY 35 N 0.30 0.94 0.21 0.00 0.00 -0.26 -1.46 107.32 107.04 3h7a s GLY 35 Ca -0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 3h7a s GLY 35 CO 0.03 -0.59 0.41 1.09 0.00 0.00 0.00 173.10 174.04 3h7a s ARG 36 N -0.30 1.36 0.11 2.90 1.70 -1.18 -0.79 118.95 122.75 3h7a s ARG 36 Ca 0.04 -1.15 -0.23 0.00 -0.47 0.00 0.00 55.73 53.92 3h7a s ARG 36 Cb -0.09 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3h7a s ARG 36 CO 0.00 -0.55 1.70 -0.09 -1.08 0.00 0.00 175.30 175.28 3h7a h ARG 37 N 2.35 -0.15 -4.13 3.89 2.43 -1.86 0.15 114.38 117.07 3h7a h ARG 37 Ca -0.29 0.01 -0.76 0.00 -0.81 0.00 0.00 59.98 58.14 3h7a h ARG 37 Cb 1.24 0.03 -0.24 0.00 -0.42 0.00 0.00 29.97 30.59 3h7a h ARG 37 CO 0.41 -0.10 -0.24 1.21 -1.51 0.00 0.00 179.97 179.74 3h7a s ASN 38 N -5.07 6.16 0.31 -3.80 2.47 -1.26 -3.94 114.94 109.82 3h7a s ASN 38 Ca -0.14 -1.73 0.25 0.00 0.42 0.00 0.00 52.86 51.66 3h7a s ASN 38 Cb 0.08 -2.20 1.10 0.00 -1.45 0.00 0.00 41.25 38.78 3h7a s ASN 38 CO 0.67 -0.82 1.75 1.23 -3.72 0.00 0.00 177.10 176.20 3h7a h GLY 39 N 8.85 0.00 2.00 1.21 0.00 -1.77 -2.26 103.07 111.11 3h7a h GLY 39 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3h7a h GLY 39 CO 1.01 0.00 -0.15 0.83 0.00 0.00 0.00 176.54 178.23 3h7a h GLU 40 N 0.00 0.00 0.00 4.80 5.08 -1.92 -2.79 114.58 119.75 3h7a h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h7a h GLU 40 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3h7a h GLU 40 CO 0.00 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3h7a n LYS 41 N -3.26 0.03 0.01 2.33 5.02 -0.85 -2.47 118.16 118.97 3h7a n LYS 41 Ca 0.01 0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.58 3h7a n LYS 41 Cb 0.42 -1.54 0.56 0.00 -0.02 0.00 0.00 35.03 34.45 3h7a n LYS 41 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h7a n LEU 42 N -1.58 0.15 -0.22 -0.35 4.77 -1.05 -4.33 117.00 114.39 3h7a n LEU 42 Ca 0.05 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3h7a n LEU 42 Cb 0.26 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3h7a n LEU 42 CO 0.21 -0.01 1.02 0.00 -1.33 0.00 0.00 177.39 177.27 3h7a h ALA 43 N 2.93 0.85 -0.71 -1.18 0.00 -1.64 -0.13 119.26 119.39 3h7a h ALA 43 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 43 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3h7a h ALA 43 CO 0.00 -0.13 0.40 -1.35 0.00 0.00 0.00 179.25 178.17 3h7a h PRO 44 N 0.48 0.71 -0.49 0.00 0.11 -1.83 -1.18 132.00 129.80 3h7a h PRO 44 Ca 0.32 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3h7a h PRO 44 Cb 0.36 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3h7a h PRO 44 CO -0.28 0.47 0.22 1.25 -0.21 0.00 0.00 178.00 179.44 3h7a h LEU 45 N 0.73 0.65 -0.31 2.35 5.85 -1.55 -0.16 115.31 122.86 3h7a h LEU 45 Ca 0.32 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3h7a h LEU 45 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3h7a h LEU 45 CO -0.19 0.61 0.10 0.58 -0.34 0.00 0.00 178.44 179.20 3h7a h VAL 46 N 0.64 0.91 -0.69 1.05 2.07 -0.80 -0.49 116.25 118.94 3h7a h VAL 46 Ca 0.17 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3h7a h VAL 46 Cb 0.14 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3h7a h VAL 46 CO -0.02 0.04 0.35 0.00 0.02 0.00 0.00 177.57 177.97 3h7a h ALA 47 N 1.20 0.89 0.03 1.67 0.00 -0.96 0.04 119.26 122.14 3h7a h ALA 47 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h7a h ALA 47 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3h7a h ALA 47 CO -0.15 0.44 -0.02 1.49 0.00 0.00 0.00 179.25 181.01 3h7a h GLU 48 N 0.96 -0.04 -0.46 0.00 4.81 -0.77 -1.49 114.58 117.59 3h7a h GLU 48 Ca 0.24 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3h7a h GLU 48 Cb 0.09 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3h7a h GLU 48 CO -0.03 0.10 0.16 0.82 -0.73 0.00 0.00 179.01 179.34 3h7a h ILE 49 N -0.18 1.21 -0.08 2.32 2.04 -0.92 -2.56 117.51 119.34 3h7a h ILE 49 Ca -0.00 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.04 3h7a h ILE 49 Cb 0.17 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3h7a h ILE 49 CO 0.01 0.25 -0.53 -0.33 0.00 0.00 0.00 178.15 177.55 3h7a h GLU 50 N 0.60 0.23 -0.75 2.37 5.08 -1.01 0.34 114.58 121.44 3h7a h GLU 50 Ca 0.15 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3h7a h GLU 50 Cb 0.23 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3h7a h GLU 50 CO -0.01 0.71 0.32 0.00 -1.00 0.00 0.00 179.01 179.03 3h7a h ALA 51 N 1.27 1.14 0.00 3.43 0.00 -1.19 -2.24 119.26 121.67 3h7a h ALA 51 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h7a h ALA 51 Cb 1.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h7a h ALA 51 CO 0.08 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3h7a n ALA 52 N -2.44 1.92 -0.20 0.00 0.00 -0.97 -4.86 120.51 113.96 3h7a n ALA 52 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3h7a n ALA 52 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3h7a n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7a n GLY 53 N 0.16 0.75 3.90 0.00 0.00 -0.84 -5.09 105.19 104.06 3h7a n GLY 53 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3h7a n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h7a s GLY 54 N -1.59 1.62 -0.11 -0.02 0.00 0.07 -4.97 107.32 102.33 3h7a s GLY 54 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3h7a s GLY 54 CO 0.00 -0.19 -0.16 0.50 0.00 0.00 0.00 173.10 173.25 3h7a s ARG 55 N -5.29 3.17 -0.21 2.90 0.52 -1.26 -4.02 118.95 114.74 3h7a s ARG 55 Ca 0.58 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 3h7a s ARG 55 Cb -0.11 -2.51 0.06 0.00 0.52 0.00 0.00 34.95 32.91 3h7a s ARG 55 CO 0.49 0.27 0.55 -1.50 0.02 0.00 0.00 175.30 175.12 3h7a s ILE 56 N 0.19 -0.01 -0.15 1.52 2.07 -1.26 -1.82 121.20 121.74 3h7a s ILE 56 Ca -0.10 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.16 3h7a s ILE 56 Cb -0.16 -0.78 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 3h7a s ILE 56 CO 0.06 0.01 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.26 3h7a s VAL 57 N 0.78 2.82 -0.15 4.00 1.01 0.95 -4.95 120.40 124.87 3h7a s VAL 57 Ca -0.04 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3h7a s VAL 57 Cb -0.05 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3h7a s VAL 57 CO -0.06 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.64 3h7a s ALA 58 N 0.70 3.57 0.03 5.51 0.00 -1.26 -0.51 121.76 129.80 3h7a s ALA 58 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3h7a s ALA 58 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3h7a s ALA 58 CO 0.02 0.39 -0.08 1.03 0.00 0.00 0.00 175.76 177.11 3h7a s ARG 59 N -0.29 0.58 0.23 0.00 0.52 -0.53 -4.96 118.95 114.50 3h7a s ARG 59 Ca 0.09 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3h7a s ARG 59 Cb -0.12 -0.46 -0.09 0.00 0.52 0.00 0.00 34.95 34.81 3h7a s ARG 59 CO 0.01 0.10 1.14 -1.12 0.02 0.00 0.00 175.30 175.45 3h7a s SER 60 N -1.11 7.20 -0.19 0.23 0.01 -1.26 -3.09 113.70 115.48 3h7a s SER 60 Ca -0.04 2.24 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 3h7a s SER 60 Cb -0.07 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.61 3h7a s SER 60 CO 0.00 -0.24 0.42 -0.22 0.41 0.00 0.00 173.24 173.62 3h7a s LEU 61 N -0.90 -0.41 -0.44 2.44 2.96 0.54 -4.87 118.68 118.00 3h7a s LEU 61 Ca 0.48 0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 55.24 3h7a s LEU 61 Cb -0.32 1.37 0.09 0.00 0.50 0.00 0.00 46.19 47.83 3h7a s LEU 61 CO 0.39 -0.22 0.31 -0.62 -1.32 0.00 0.00 176.35 174.90 3h7a s ASP 62 N 2.05 5.79 0.60 3.68 2.15 -1.26 -2.88 116.67 126.80 3h7a s ASP 62 Ca -0.05 -1.54 0.39 0.00 0.43 0.00 0.00 52.55 51.77 3h7a s ASP 62 Cb -0.10 -2.04 1.86 0.00 -0.30 0.00 0.00 42.92 42.33 3h7a s ASP 62 CO -0.13 -0.60 2.17 0.00 -0.17 0.00 0.00 175.17 176.44 3h7a h ALA 63 N 8.51 1.01 0.00 3.66 0.00 -1.94 -0.40 119.26 130.10 3h7a h ALA 63 Ca -0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3h7a h ALA 63 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3h7a h ALA 63 CO 0.81 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 180.02 3h7a h ARG 64 N 0.00 0.00 -5.46 0.00 3.08 -1.88 -3.40 114.38 106.72 3h7a h ARG 64 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3h7a h ARG 64 Cb 0.28 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.18 3h7a h ARG 64 CO 0.00 0.05 0.36 1.21 -1.07 0.00 0.00 179.97 180.52 3h7a s ASN 65 N -6.14 6.28 0.44 7.04 3.84 -0.16 -4.87 114.94 121.37 3h7a s ASN 65 Ca -0.04 -0.64 0.12 0.00 0.21 0.00 0.00 52.86 52.51 3h7a s ASN 65 Cb 0.14 -2.38 1.00 0.00 -0.55 0.00 0.00 41.25 39.47 3h7a s ASN 65 CO 0.56 -1.12 2.03 1.05 -2.79 0.00 0.00 177.10 176.84 3h7a h GLU 66 N 9.21 0.39 -0.56 0.43 9.09 -1.85 -1.16 114.58 130.14 3h7a h GLU 66 Ca -0.27 -0.02 -0.08 0.00 0.05 0.00 0.00 59.36 59.04 3h7a h GLU 66 Cb 1.08 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.07 3h7a h GLU 66 CO 1.05 0.26 0.04 -0.44 0.05 0.00 0.00 179.01 179.97 3h7a h ASP 67 N 0.41 0.93 -0.19 3.06 3.32 -1.95 -0.90 116.42 121.11 3h7a h ASP 67 Ca 0.19 -0.29 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 3h7a h ASP 67 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3h7a h ASP 67 CO -0.05 0.99 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.71 3h7a h GLU 68 N 0.85 0.74 -0.16 3.56 5.08 -1.61 -1.16 114.58 121.87 3h7a h GLU 68 Ca 0.16 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3h7a h GLU 68 Cb 0.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3h7a h GLU 68 CO 0.02 1.02 0.04 0.28 -1.00 0.00 0.00 179.01 179.38 3h7a h VAL 69 N 0.60 1.20 -0.84 3.13 2.07 -1.12 0.97 116.25 122.25 3h7a h VAL 69 Ca 0.04 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3h7a h VAL 69 Cb 0.98 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3h7a h VAL 69 CO 0.09 0.19 0.48 0.74 0.02 0.00 0.00 177.57 179.10 3h7a h THR 70 N 0.07 1.24 -0.41 2.57 2.02 -1.13 -2.00 112.91 115.28 3h7a h THR 70 Ca 0.05 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 3h7a h THR 70 Cb 0.26 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3h7a h THR 70 CO 0.00 0.27 -0.21 0.00 0.37 0.00 0.00 175.52 175.95 3h7a h ALA 71 N 1.26 0.85 -0.13 6.16 0.00 -1.00 -0.82 119.26 125.58 3h7a h ALA 71 Ca 0.30 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h7a h ALA 71 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3h7a h ALA 71 CO -0.05 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 180.15 3h7a h PHE 72 N 0.72 -0.08 -0.25 0.00 3.57 -0.39 -0.13 116.94 120.38 3h7a h PHE 72 Ca 0.10 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 3h7a h PHE 72 Cb 0.74 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3h7a h PHE 72 CO 0.04 -0.06 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.45 3h7a h LEU 73 N -0.01 0.83 -0.52 0.59 3.38 -1.29 -1.44 115.31 116.85 3h7a h LEU 73 Ca 0.06 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.61 3h7a h LEU 73 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3h7a h LEU 73 CO -0.14 1.20 0.33 0.78 0.09 0.00 0.00 178.44 180.71 3h7a h ASN 74 N 0.57 0.56 -0.38 -0.43 2.35 -1.12 -1.02 115.58 116.11 3h7a h ASN 74 Ca 0.01 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3h7a h ASN 74 Cb 1.12 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.32 3h7a h ASN 74 CO 0.11 0.40 0.16 0.00 -1.65 0.00 0.00 177.43 176.46 3h7a h ALA 75 N 1.20 0.46 0.05 -0.83 0.00 -0.73 0.80 119.26 120.21 3h7a h ALA 75 Ca 0.20 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3h7a h ALA 75 Cb -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h7a h ALA 75 CO -0.06 -0.22 -0.19 0.00 0.00 0.00 0.00 179.25 178.78 3h7a h ALA 76 N 1.22 -0.27 -0.22 0.00 0.00 -1.07 -1.95 119.26 116.96 3h7a h ALA 76 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 76 Cb 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h7a h ALA 76 CO -0.15 -0.70 -0.11 0.22 0.00 0.00 0.00 179.25 178.52 3h7a h ASP 77 N -0.33 0.34 -0.24 0.00 3.58 -0.96 -2.00 116.42 116.80 3h7a h ASP 77 Ca 0.04 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 3h7a h ASP 77 Cb 0.38 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3h7a h ASP 77 CO -0.15 0.48 -0.06 0.00 -2.88 0.00 0.00 179.24 176.64 3h7a h ALA 78 N 1.56 1.22 0.40 -0.78 0.00 -0.55 -3.20 119.26 117.90 3h7a h ALA 78 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3h7a h ALA 78 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h7a h ALA 78 CO 0.02 0.51 -0.19 1.25 0.00 0.00 0.00 179.25 180.84 3h7a h HIS 79 N 0.56 -0.50 -2.81 0.00 -0.00 -0.64 -3.48 115.15 108.28 3h7a h HIS 79 Ca 0.11 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3h7a h HIS 79 Cb 0.45 0.17 -0.15 0.00 -0.00 0.00 0.00 27.41 27.87 3h7a h HIS 79 CO 0.02 -0.18 0.07 0.00 -0.00 0.00 0.00 177.93 177.84 3h7a s ALA 80 N -4.72 -1.37 -0.17 5.26 0.00 -0.92 -5.03 121.76 114.82 3h7a s ALA 80 Ca -0.14 0.58 -0.39 0.00 0.00 0.00 0.00 51.96 52.01 3h7a s ALA 80 Cb 0.02 0.47 -0.16 0.00 0.00 0.00 0.00 23.12 23.44 3h7a s ALA 80 CO 0.49 -0.55 1.62 -2.30 0.00 0.00 0.00 175.76 175.02 3h7a n PRO 81 N 0.26 1.15 -1.89 0.00 -0.02 -1.25 -3.79 135.00 129.45 3h7a n PRO 81 Ca -0.18 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 3h7a n PRO 81 Cb 0.61 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3h7a n PRO 81 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h7a s LEU 82 N 2.62 3.83 -0.10 2.45 2.96 -1.26 -0.65 118.68 128.52 3h7a s LEU 82 Ca 0.94 1.84 0.10 0.00 -0.22 0.00 0.00 54.13 56.79 3h7a s LEU 82 Cb -1.04 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 41.98 3h7a s LEU 82 CO 0.60 -1.45 0.06 -0.62 -1.32 0.00 0.00 176.35 173.62 3h7a n GLU 83 N 8.01 1.97 -4.30 1.98 1.02 -0.64 -4.63 120.64 124.04 3h7a n GLU 83 Ca 0.22 -0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.15 3h7a n GLU 83 Cb 0.45 -1.29 -0.15 0.00 -0.02 0.00 0.00 31.44 30.42 3h7a n GLU 83 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h7a s VAL 84 N -2.33 0.66 -0.10 2.62 1.01 -1.19 -0.68 120.40 120.39 3h7a s VAL 84 Ca -0.06 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3h7a s VAL 84 Cb 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3h7a s VAL 84 CO 0.47 0.22 -0.22 -0.89 0.00 0.00 0.00 175.10 174.68 3h7a s THR 85 N 0.31 1.94 -0.23 3.92 2.01 -0.54 -0.77 115.64 122.28 3h7a s THR 85 Ca -0.04 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.03 3h7a s THR 85 Cb -0.09 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.78 3h7a s THR 85 CO 0.00 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.69 3h7a s ILE 86 N 0.42 2.15 -0.25 1.82 1.01 0.03 0.06 121.20 126.44 3h7a s ILE 86 Ca -0.18 -1.33 -0.13 0.00 0.00 0.00 0.00 60.65 59.01 3h7a s ILE 86 Cb -0.18 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3h7a s ILE 86 CO 0.08 0.21 0.29 0.12 0.00 0.00 0.00 174.94 175.64 3h7a s PHE 87 N 1.19 3.28 -0.37 3.97 5.36 0.19 -1.72 117.98 129.87 3h7a s PHE 87 Ca -0.03 0.34 0.13 0.00 -0.96 0.00 0.00 56.93 56.41 3h7a s PHE 87 Cb -0.17 -2.45 0.37 0.00 -0.34 0.00 0.00 43.02 40.43 3h7a s PHE 87 CO -0.08 -0.10 0.81 -1.71 -1.46 0.00 0.00 175.22 172.67 3h7a n ASN 88 N 4.87 0.65 -4.13 6.13 5.15 0.79 -1.43 115.26 127.29 3h7a n ASN 88 Ca -0.11 -3.00 -0.34 0.00 -0.60 0.00 0.00 54.58 50.54 3h7a n ASN 88 Cb 0.51 -0.38 -0.14 0.00 -0.53 0.00 0.00 39.78 39.24 3h7a n ASN 88 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3h7a s VAL 89 N -2.31 2.63 0.35 3.44 1.01 -1.26 -4.31 120.40 119.96 3h7a s VAL 89 Ca 0.36 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3h7a s VAL 89 Cb 0.37 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3h7a s VAL 89 CO -0.06 -0.06 0.48 0.61 0.00 0.00 0.00 175.10 176.08 3h7a n GLY 90 N 4.54 1.25 1.52 4.51 0.00 -1.26 -4.57 105.19 111.19 3h7a n GLY 90 Ca -0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.80 3h7a n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a n ALA 91 N -2.82 -1.14 -1.77 4.61 0.00 -1.26 -4.82 120.51 113.30 3h7a n ALA 91 Ca -0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 3h7a n ALA 91 Cb 0.31 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 3h7a n ALA 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h7a s ASN 92 N -0.17 4.57 0.11 0.00 3.84 -1.26 -4.79 114.94 117.23 3h7a s ASN 92 Ca 0.01 0.15 0.07 0.00 0.21 0.00 0.00 52.86 53.30 3h7a s ASN 92 Cb 0.06 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.19 3h7a s ASN 92 CO -0.02 -3.10 -0.16 0.68 -2.79 0.00 0.00 177.10 171.71 3h7a s VAL 93 N 12.02 1.44 -0.05 -5.21 -7.23 -1.26 -5.14 120.40 114.96 3h7a s VAL 93 Ca 0.84 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 3h7a s VAL 93 Cb -0.12 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.35 3h7a s VAL 93 CO 0.12 -0.28 -0.04 0.21 -0.31 0.00 0.00 175.10 174.80 3h7a s ASN 94 N -2.22 1.15 -0.08 4.85 3.84 -1.26 -4.53 114.94 116.69 3h7a s ASN 94 Ca 0.07 -0.13 -0.06 0.00 0.21 0.00 0.00 52.86 52.95 3h7a s ASN 94 Cb -0.07 -0.47 0.03 0.00 -0.55 0.00 0.00 41.25 40.18 3h7a s ASN 94 CO 0.04 -0.08 0.21 -0.36 -2.79 0.00 0.00 177.10 174.11 3h7a s PHE 95 N 1.15 -0.24 0.65 0.43 0.08 -0.17 -5.02 117.98 114.86 3h7a s PHE 95 Ca -0.07 0.59 -0.17 0.00 0.12 0.00 0.00 56.93 57.40 3h7a s PHE 95 Cb -0.14 0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 3h7a s PHE 95 CO -0.01 -0.14 0.76 -2.30 -0.10 0.00 0.00 175.22 173.42 3h7a n PRO 96 N 3.35 0.57 -0.22 0.24 -0.02 -1.26 -4.21 135.00 133.44 3h7a n PRO 96 Ca -0.17 0.23 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 3h7a n PRO 96 Cb 0.57 -1.99 0.14 0.00 -0.02 0.00 0.00 33.50 32.20 3h7a n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3h7a h ILE 97 N 0.04 0.58 0.00 4.25 6.09 -1.96 0.89 117.51 127.40 3h7a h ILE 97 Ca -0.47 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 3h7a h ILE 97 Cb 1.36 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3h7a h ILE 97 CO 0.47 0.05 0.00 -0.07 -3.07 0.00 0.00 178.15 175.53 3h7a h LEU 98 N 0.26 0.00 -2.32 2.19 3.38 -2.03 -1.79 115.31 115.00 3h7a h LEU 98 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3h7a h LEU 98 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3h7a h LEU 98 CO -0.46 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.45 3h7a n GLU 99 N -2.91 2.52 -3.08 1.13 1.02 0.27 -4.82 120.64 114.77 3h7a n GLU 99 Ca -0.00 -2.29 -0.43 0.00 -0.02 0.00 0.00 57.16 54.42 3h7a n GLU 99 Cb 0.22 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 3h7a n GLU 99 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h7a s THR 100 N -1.51 4.76 0.69 2.62 2.01 -0.67 -4.84 115.64 118.69 3h7a s THR 100 Ca 0.39 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 3h7a s THR 100 Cb 0.23 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3h7a s THR 100 CO 0.32 -0.77 1.07 0.42 -0.69 0.00 0.00 174.62 174.97 3h7a s THR 101 N 2.96 3.49 0.21 -0.82 -4.23 -1.26 -4.88 115.64 111.11 3h7a s THR 101 Ca 0.21 0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 61.04 3h7a s THR 101 Cb -0.16 -3.47 0.15 0.00 1.34 0.00 0.00 72.50 70.37 3h7a s THR 101 CO 0.16 -0.60 1.76 0.44 -0.54 0.00 0.00 174.62 175.85 3h7a h ASP 102 N -0.58 0.34 -0.49 3.99 3.32 -2.00 -1.90 116.42 119.09 3h7a h ASP 102 Ca -0.45 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3h7a h ASP 102 Cb 1.25 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 3h7a h ASP 102 CO 0.63 0.20 0.22 -0.09 -1.72 0.00 0.00 179.24 178.48 3h7a h ARG 103 N 0.50 0.72 -0.17 3.56 2.43 -1.99 -2.02 114.38 117.40 3h7a h ARG 103 Ca 0.32 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3h7a h ARG 103 Cb 0.35 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3h7a h ARG 103 CO -0.28 0.62 -0.05 0.28 -1.51 0.00 0.00 179.97 179.04 3h7a h VAL 104 N 0.65 1.29 -0.58 0.20 2.07 -1.90 -1.34 116.25 116.64 3h7a h VAL 104 Ca 0.17 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3h7a h VAL 104 Cb 0.16 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3h7a h VAL 104 CO -0.02 0.31 0.38 0.15 0.02 0.00 0.00 177.57 178.42 3h7a h PHE 105 N 0.04 0.73 -0.03 1.57 3.57 -1.27 -1.17 116.94 120.38 3h7a h PHE 105 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3h7a h PHE 105 Cb 0.50 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3h7a h PHE 105 CO 0.05 0.46 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.49 3h7a h ARG 106 N 0.78 0.06 -0.83 1.11 2.43 -1.39 -2.42 114.38 114.11 3h7a h ARG 106 Ca 0.21 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3h7a h ARG 106 Cb -0.09 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 3h7a h ARG 106 CO -0.05 0.42 0.52 -0.22 -1.51 0.00 0.00 179.97 179.13 3h7a h LYS 107 N -0.30 0.96 -0.32 0.20 3.64 -1.15 0.58 116.57 120.17 3h7a h LYS 107 Ca 0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3h7a h LYS 107 Cb 0.39 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3h7a h LYS 107 CO 0.00 0.63 0.12 0.28 -2.27 0.00 0.00 179.45 178.22 3h7a h VAL 108 N 0.99 1.19 -0.90 2.00 2.07 -1.21 0.18 116.25 120.56 3h7a h VAL 108 Ca 0.35 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3h7a h VAL 108 Cb 0.09 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3h7a h VAL 108 CO -0.14 0.20 0.52 -0.25 0.02 0.00 0.00 177.57 177.91 3h7a h TRP 109 N 0.36 1.20 -0.61 1.57 7.01 -0.92 -1.30 115.95 123.26 3h7a h TRP 109 Ca 0.11 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 3h7a h TRP 109 Cb 0.19 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3h7a h TRP 109 CO -0.00 0.81 0.01 0.93 -2.79 0.00 0.00 178.44 177.40 3h7a h GLU 110 N 1.24 1.06 0.12 2.65 5.08 -0.47 0.10 114.58 124.37 3h7a h GLU 110 Ca 0.32 -0.33 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3h7a h GLU 110 Cb -0.02 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.15 3h7a h GLU 110 CO -0.06 1.03 -1.22 0.52 -1.00 0.00 0.00 179.01 178.28 3h7a h MET 111 N 0.97 0.48 0.00 2.33 2.86 -0.74 -2.72 114.93 118.10 3h7a h MET 111 Ca 0.18 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3h7a h MET 111 Cb 0.54 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3h7a h MET 111 CO 0.03 1.29 -0.93 0.00 1.06 0.00 0.00 176.91 178.36 3h7a n ALA 112 N -2.62 2.93 0.06 6.32 0.00 -0.51 -4.44 120.51 122.25 3h7a n ALA 112 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h7a n ALA 112 Cb 0.98 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3h7a n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h7a h TRP 114 N 0.00 -0.88 -0.30 0.00 2.91 -1.02 0.38 115.95 117.04 3h7a h TRP 114 Ca 0.00 0.07 0.03 0.00 1.13 0.00 0.00 58.89 60.11 3h7a h TRP 114 Cb 0.00 0.46 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 3h7a h TRP 114 CO 0.00 -0.37 0.20 0.00 -1.03 0.00 0.00 178.44 177.23 3h7a h ALA 115 N 0.96 1.92 -0.13 2.65 0.00 -1.69 -1.34 119.26 121.64 3h7a h ALA 115 Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3h7a h ALA 115 Cb 0.54 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h7a h ALA 115 CO -0.63 0.04 -0.57 0.78 0.00 0.00 0.00 179.25 178.86 3h7a h GLY 116 N 0.29 0.68 0.87 0.00 0.00 -1.43 -0.43 103.07 103.04 3h7a h GLY 116 Ca 0.12 -0.94 0.01 0.00 0.00 0.00 0.00 47.33 46.53 3h7a h GLY 116 CO -0.03 0.84 -0.03 -2.75 0.00 0.00 0.00 176.54 174.57 3h7a h PHE 117 N 0.26 -0.07 -0.29 5.60 3.57 -0.46 0.64 116.94 126.20 3h7a h PHE 117 Ca -0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3h7a h PHE 117 Cb 1.21 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3h7a h PHE 117 CO 0.10 -0.05 0.12 0.28 -2.23 0.00 0.00 178.31 176.53 3h7a h VAL 118 N -0.04 1.17 -0.87 1.41 2.07 -1.30 0.66 116.25 119.35 3h7a h VAL 118 Ca 0.03 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.15 3h7a h VAL 118 Cb 0.07 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 3h7a h VAL 118 CO -0.06 0.18 0.50 0.28 0.02 0.00 0.00 177.57 178.49 3h7a h SER 119 N 0.32 0.68 0.00 0.57 0.02 -0.93 0.16 113.55 114.38 3h7a h SER 119 Ca 0.10 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 3h7a h SER 119 Cb 0.17 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3h7a h SER 119 CO -0.01 0.35 -0.63 1.23 -1.14 0.00 0.00 176.83 176.63 3h7a h GLY 120 N 0.78 0.47 0.95 -3.77 0.00 -0.55 -1.81 103.07 99.14 3h7a h GLY 120 Ca 0.44 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3h7a h GLY 120 CO -0.29 0.74 0.12 -0.09 0.00 0.00 0.00 176.54 177.02 3h7a h ARG 121 N -0.08 0.30 -0.22 4.80 2.43 -0.72 -0.77 114.38 120.12 3h7a h ARG 121 Ca -0.08 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 3h7a h ARG 121 Cb 1.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3h7a h ARG 121 CO 0.12 0.28 -0.41 0.93 -1.51 0.00 0.00 179.97 179.38 3h7a h GLU 122 N 0.25 0.51 -0.51 0.20 4.39 -1.04 -1.66 114.58 116.72 3h7a h GLU 122 Ca 0.08 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3h7a h GLU 122 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3h7a h GLU 122 CO -0.01 0.84 0.13 0.77 -1.16 0.00 0.00 179.01 179.57 3h7a h SER 123 N 0.42 0.77 -0.57 1.42 0.02 -1.22 -2.35 113.55 112.05 3h7a h SER 123 Ca 0.04 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3h7a h SER 123 Cb 0.90 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3h7a h SER 123 CO 0.08 0.80 0.29 0.00 -1.14 0.00 0.00 176.83 176.86 3h7a h ALA 124 N 1.00 0.74 -0.32 3.77 0.00 -0.91 0.16 119.26 123.69 3h7a h ALA 124 Ca 0.16 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3h7a h ALA 124 Cb 0.33 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3h7a h ALA 124 CO 0.00 0.29 -0.11 -0.09 0.00 0.00 0.00 179.25 179.34 3h7a h ARG 125 N 0.77 -0.04 -0.34 0.00 2.43 -1.15 0.48 114.38 116.54 3h7a h ARG 125 Ca 0.20 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3h7a h ARG 125 Cb 0.10 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3h7a h ARG 125 CO -0.03 -0.03 -0.36 -0.07 -1.51 0.00 0.00 179.97 177.98 3h7a h LEU 126 N -0.04 0.91 -0.38 3.80 3.38 -0.95 -3.25 115.31 118.77 3h7a h LEU 126 Ca 0.16 -0.47 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 3h7a h LEU 126 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3h7a h LEU 126 CO -0.35 1.20 -0.40 0.24 0.09 0.00 0.00 178.44 179.21 3h7a h MET 127 N 0.63 0.94 0.00 1.13 2.86 -0.45 -3.07 114.93 116.98 3h7a h MET 127 Ca 0.05 -0.50 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 3h7a h MET 127 Cb 0.95 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 3h7a h MET 127 CO 0.09 1.16 -0.08 -0.07 1.06 0.00 0.00 176.91 179.07 3h7a h LEU 128 N 0.76 0.00 -1.18 1.22 3.38 -0.95 -0.24 115.31 118.30 3h7a h LEU 128 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3h7a h LEU 128 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3h7a h LEU 128 CO 0.10 0.08 -0.31 0.00 0.09 0.00 0.00 178.44 178.40 3h7a h ALA 129 N 1.92 1.10 0.00 1.53 0.00 -1.57 -2.40 119.26 119.84 3h7a h ALA 129 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h7a h ALA 129 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h7a h ALA 129 CO 0.01 0.39 -0.73 0.72 0.00 0.00 0.00 179.25 179.64 3h7a n HIS 130 N -3.62 0.22 -0.89 0.00 8.25 -0.26 -4.98 115.22 113.93 3h7a n HIS 130 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3h7a n HIS 130 Cb 0.44 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3h7a n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h7a n GLY 131 N 1.42 0.54 3.57 -1.41 0.00 -0.28 -5.01 105.19 104.01 3h7a n GLY 131 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3h7a n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h7a s GLN 132 N -0.36 1.09 0.00 1.61 -2.07 -1.12 -4.84 119.66 113.98 3h7a s GLN 132 Ca 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 3h7a s GLN 132 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3h7a s GLN 132 CO 0.00 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.90 3h7a n GLY 133 N -0.34 0.85 2.90 2.60 0.00 -1.18 -4.54 105.19 105.48 3h7a n GLY 133 Ca -0.10 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 3h7a n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7a s LYS 134 N -2.00 0.75 -0.21 1.61 1.02 0.14 -1.68 119.74 119.37 3h7a s LYS 134 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.89 3h7a s LYS 134 Cb 0.00 -0.75 0.04 0.00 -0.52 0.00 0.00 37.83 36.60 3h7a s LYS 134 CO 0.00 -0.04 -0.12 0.42 -0.92 0.00 0.00 175.35 174.69 3h7a s ILE 135 N 0.72 1.83 0.01 2.17 1.01 -0.01 -1.46 121.20 125.47 3h7a s ILE 135 Ca -0.09 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.48 3h7a s ILE 135 Cb -0.13 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3h7a s ILE 135 CO 0.00 0.19 -0.18 -0.36 0.00 0.00 0.00 174.94 174.59 3h7a s PHE 136 N 1.31 2.57 -0.07 3.97 0.08 0.11 -1.19 117.98 124.77 3h7a s PHE 136 Ca -0.02 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.81 3h7a s PHE 136 Cb -0.17 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3h7a s PHE 136 CO -0.08 0.20 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.04 3h7a s PHE 137 N -0.83 1.56 -0.18 0.36 0.08 -0.36 -0.64 117.98 117.97 3h7a s PHE 137 Ca 0.13 -0.57 -0.25 0.00 0.12 0.00 0.00 56.93 56.35 3h7a s PHE 137 Cb -0.10 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3h7a s PHE 137 CO 0.03 -0.28 0.84 0.99 -0.10 0.00 0.00 175.22 176.71 3h7a s THR 138 N 0.58 4.87 0.40 0.64 2.01 -0.52 -0.72 115.64 122.90 3h7a s THR 138 Ca -0.14 1.65 0.03 0.00 0.31 0.00 0.00 61.69 63.54 3h7a s THR 138 Cb -0.16 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.24 3h7a s THR 138 CO 0.04 0.01 0.24 0.61 -0.69 0.00 0.00 174.62 174.83 3h7a n GLY 139 N 3.47 3.02 3.30 4.40 0.00 0.48 -4.86 105.19 114.99 3h7a n GLY 139 Ca 0.05 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 3h7a n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a s ALA 140 N -2.60 1.73 0.43 4.61 0.00 -1.26 -1.55 121.76 123.12 3h7a s ALA 140 Ca 0.18 -2.01 0.19 0.00 0.00 0.00 0.00 51.96 50.32 3h7a s ALA 140 Cb -0.01 1.45 1.15 0.00 0.00 0.00 0.00 23.12 25.71 3h7a s ALA 140 CO 0.11 -0.67 2.01 1.79 0.00 0.00 0.00 175.76 179.00 3h7a h THR 141 N 2.16 0.92 0.00 0.00 1.35 -1.91 -1.07 112.91 114.36 3h7a h THR 141 Ca -0.26 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3h7a h THR 141 Cb 1.23 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3h7a h THR 141 CO 0.37 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 3h7a n ALA 142 N -2.41 1.49 0.45 6.62 0.00 -1.26 -0.75 120.51 124.65 3h7a n ALA 142 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3h7a n ALA 142 Cb 0.26 -1.23 0.45 0.00 0.00 0.00 0.00 19.45 18.93 3h7a n ALA 142 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h7a h SER 143 N 0.00 0.00 0.00 0.00 0.02 -1.45 -3.37 113.55 108.75 3h7a h SER 143 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 3h7a h SER 143 Cb 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3h7a h SER 143 CO 0.00 0.00 -1.61 0.18 -1.14 0.00 0.00 176.83 174.26 3h7a n LEU 144 N -2.44 1.44 -3.78 5.07 4.77 0.07 -4.42 117.00 117.71 3h7a n LEU 144 Ca 0.03 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3h7a n LEU 144 Cb 0.34 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3h7a n LEU 144 CO 0.26 0.44 -0.05 0.00 -1.33 0.00 0.00 177.39 176.71 3h7a s ARG 145 N -2.22 0.44 -0.34 3.23 1.70 -0.65 -5.13 118.95 115.99 3h7a s ARG 145 Ca -0.09 0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.16 3h7a s ARG 145 Cb 0.03 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3h7a s ARG 145 CO 0.31 -0.09 0.26 0.20 -1.08 0.00 0.00 175.30 174.90 3h7a s GLY 146 N -0.46 1.95 0.62 3.88 0.00 -1.26 -4.14 107.32 107.91 3h7a s GLY 146 Ca -0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 3h7a s GLY 146 CO 0.02 0.81 0.88 -0.32 0.00 0.00 0.00 173.10 174.49 3h7a s GLY 147 N 1.73 1.77 0.19 0.20 0.00 -1.26 -4.97 107.32 104.98 3h7a s GLY 147 Ca 0.07 -1.17 -0.32 0.00 0.00 0.00 0.00 44.72 43.30 3h7a s GLY 147 CO 0.11 -0.83 1.71 -0.45 0.00 0.00 0.00 173.10 173.64 3h7a s SER 148 N -4.48 6.41 0.00 1.64 0.15 -1.26 -1.55 113.70 114.62 3h7a s SER 148 Ca 0.59 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.06 3h7a s SER 148 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3h7a s SER 148 CO 0.41 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.51 3h7a n GLY 149 N 3.97 1.72 1.57 9.45 0.00 -1.26 -4.94 105.19 115.70 3h7a n GLY 149 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3h7a n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h7a n PHE 150 N -2.00 1.78 -0.21 1.61 3.72 -0.59 -1.00 117.46 120.77 3h7a n PHE 150 Ca 0.00 -0.98 0.01 0.00 -0.05 0.00 0.00 57.45 56.44 3h7a n PHE 150 Cb 0.00 -0.51 0.12 0.00 -0.94 0.00 0.00 39.48 38.15 3h7a n PHE 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h7a h ALA 151 N 2.72 0.70 0.17 4.37 0.00 -1.84 0.27 119.26 125.65 3h7a h ALA 151 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3h7a h ALA 151 Cb 1.91 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3h7a h ALA 151 CO 0.48 -0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 3h7a h ALA 152 N 1.53 -0.23 -0.24 0.00 0.00 -1.91 -1.99 119.26 116.42 3h7a h ALA 152 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h7a h ALA 152 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3h7a h ALA 152 CO -0.47 -0.42 0.09 0.35 0.00 0.00 0.00 179.25 178.80 3h7a h PHE 153 N -0.66 0.37 -0.29 0.00 3.57 -1.76 -2.82 116.94 115.36 3h7a h PHE 153 Ca -0.02 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 3h7a h PHE 153 Cb 0.48 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3h7a h PHE 153 CO 0.05 0.40 -0.32 0.00 -2.23 0.00 0.00 178.31 176.21 3h7a h ALA 154 N 0.94 0.90 -0.09 2.41 0.00 -0.55 -1.13 119.26 121.74 3h7a h ALA 154 Ca 0.08 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3h7a h ALA 154 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h7a h ALA 154 CO -0.01 0.62 -0.11 1.03 0.00 0.00 0.00 179.25 180.79 3h7a h SER 155 N 0.52 -0.33 -0.61 0.00 0.87 -1.34 0.19 113.55 112.86 3h7a h SER 155 Ca 0.06 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3h7a h SER 155 Cb 0.81 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 3h7a h SER 155 CO 0.07 -0.15 0.23 0.00 -0.53 0.00 0.00 176.83 176.45 3h7a h ALA 156 N 0.91 0.79 -0.37 6.23 0.00 -1.35 -0.71 119.26 124.76 3h7a h ALA 156 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3h7a h ALA 156 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h7a h ALA 156 CO -0.17 0.42 -0.21 0.87 0.00 0.00 0.00 179.25 180.16 3h7a h LYS 157 N 0.85 0.79 -0.11 0.00 1.79 -1.04 -0.46 116.57 118.39 3h7a h LYS 157 Ca 0.20 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3h7a h LYS 157 Cb 0.22 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3h7a h LYS 157 CO -0.01 0.98 0.01 0.74 -1.08 0.00 0.00 179.45 180.09 3h7a h PHE 158 N 0.58 0.02 -0.59 -1.35 -1.00 -0.61 -1.31 116.94 112.68 3h7a h PHE 158 Ca 0.08 0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.99 3h7a h PHE 158 Cb 0.76 0.01 -0.10 0.00 3.61 0.00 0.00 35.95 40.23 3h7a h PHE 158 CO 0.06 0.00 0.02 0.78 -1.61 0.00 0.00 178.31 177.56 3h7a h GLY 159 N 0.05 0.64 1.29 -1.45 0.00 -1.00 -1.01 103.07 101.59 3h7a h GLY 159 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 3h7a h GLY 159 CO -0.07 -0.18 -0.12 -2.00 0.00 0.00 0.00 176.54 174.17 3h7a h LEU 160 N 0.13 0.83 -0.81 3.11 5.85 -0.86 -2.27 115.31 121.30 3h7a h LEU 160 Ca 0.31 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3h7a h LEU 160 Cb 0.49 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3h7a h LEU 160 CO -0.49 0.96 0.52 -0.09 -0.34 0.00 0.00 178.44 179.01 3h7a h ARG 161 N 0.75 1.01 -0.63 1.25 2.43 -0.35 -0.64 114.38 118.20 3h7a h ARG 161 Ca 0.12 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3h7a h ARG 161 Cb 0.62 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3h7a h ARG 161 CO 0.04 0.67 0.14 0.00 -1.51 0.00 0.00 179.97 179.31 3h7a h ALA 162 N 1.32 0.83 -0.18 2.80 0.00 -0.97 0.79 119.26 123.86 3h7a h ALA 162 Ca 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h7a h ALA 162 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3h7a h ALA 162 CO -0.10 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.08 3h7a h VAL 163 N 0.92 1.02 -0.44 0.00 2.07 -0.99 -1.46 116.25 117.36 3h7a h VAL 163 Ca 0.20 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3h7a h VAL 163 Cb 0.37 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3h7a h VAL 163 CO 0.00 0.04 0.27 0.00 0.02 0.00 0.00 177.57 177.90 3h7a h ALA 164 N 1.08 0.56 0.24 1.67 0.00 -0.77 -0.48 119.26 121.56 3h7a h ALA 164 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h7a h ALA 164 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3h7a h ALA 164 CO -0.03 -0.05 -0.35 1.96 0.00 0.00 0.00 179.25 180.78 3h7a h GLN 165 N 0.54 -0.63 -0.70 0.00 4.20 -0.65 -0.09 115.11 117.77 3h7a h GLN 165 Ca 0.17 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.93 3h7a h GLN 165 Cb 0.00 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3h7a h GLN 165 CO -0.07 -0.42 0.46 0.77 -0.67 0.00 0.00 178.83 178.89 3h7a h SER 166 N -0.65 0.81 -0.67 1.46 0.02 -1.15 -0.86 113.55 112.51 3h7a h SER 166 Ca 0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3h7a h SER 166 Cb 0.63 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3h7a h SER 166 CO -0.13 0.59 0.28 0.24 -1.14 0.00 0.00 176.83 176.67 3h7a h MET 167 N 0.95 0.99 -0.31 3.45 2.86 -1.00 -2.59 114.93 119.28 3h7a h MET 167 Ca 0.26 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3h7a h MET 167 Cb -0.10 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 3h7a h MET 167 CO -0.05 0.81 0.16 0.00 1.06 0.00 0.00 176.91 178.89 3h7a h ALA 168 N 1.12 0.40 -0.80 6.32 0.00 -0.47 0.41 119.26 126.25 3h7a h ALA 168 Ca 0.22 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3h7a h ALA 168 Cb 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3h7a h ALA 168 CO -0.02 -0.06 0.46 0.00 0.00 0.00 0.00 179.25 179.63 3h7a h ARG 169 N 0.37 0.77 0.13 0.00 2.47 -1.01 -1.91 114.38 115.21 3h7a h ARG 169 Ca 0.11 -0.05 -0.30 0.00 -1.26 0.00 0.00 59.98 58.48 3h7a h ARG 169 Cb 0.09 -0.17 0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3h7a h ARG 169 CO -0.02 0.51 -1.26 1.49 0.56 0.00 0.00 179.97 181.25 3h7a h GLU 170 N 0.79 0.54 0.00 0.04 4.81 -1.23 -3.41 114.58 116.12 3h7a h GLU 170 Ca 0.37 -0.76 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3h7a h GLU 170 Cb 0.30 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3h7a h GLU 170 CO -0.23 1.34 -1.84 1.28 -0.73 0.00 0.00 179.01 178.83 3h7a n LEU 171 N -3.73 0.00 -0.20 1.64 4.77 0.12 -4.31 117.00 115.27 3h7a n LEU 171 Ca -0.13 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3h7a n LEU 171 Cb 1.00 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 42.15 3h7a n LEU 171 CO 0.57 0.03 1.09 0.24 -1.33 0.00 0.00 177.39 178.00 3h7a h MET 172 N 0.00 0.79 0.00 3.23 2.86 -1.28 -0.17 114.93 120.36 3h7a h MET 172 Ca -0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3h7a h MET 172 Cb 0.91 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3h7a h MET 172 CO 0.00 0.56 0.07 -1.35 1.06 0.00 0.00 176.91 177.25 3h7a h PRO 173 N 0.79 0.00 -0.44 -0.22 0.11 -1.81 -2.31 132.00 128.12 3h7a h PRO 173 Ca 0.21 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 3h7a h PRO 173 Cb -0.03 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.01 3h7a h PRO 173 CO -0.04 0.00 0.07 1.63 -0.21 0.00 0.00 178.00 179.45 3h7a n LYS 174 N -2.56 2.96 -1.34 1.05 5.02 -0.19 -4.94 118.16 118.16 3h7a n LYS 174 Ca -0.02 -3.01 -0.04 0.00 -2.02 0.00 0.00 58.31 53.22 3h7a n LYS 174 Cb 0.11 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.14 3h7a n LYS 174 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h7a n ASN 175 N -0.53 -3.09 -4.30 4.39 5.15 -0.87 -4.79 115.26 111.23 3h7a n ASN 175 Ca 0.31 0.07 -0.35 0.00 -0.60 0.00 0.00 54.58 54.00 3h7a n ASN 175 Cb 1.09 -1.29 -0.14 0.00 -0.53 0.00 0.00 39.78 38.91 3h7a n ASN 175 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7a s ILE 176 N -2.15 3.38 -0.71 -1.44 1.01 -0.50 -3.13 121.20 117.65 3h7a s ILE 176 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 3h7a s ILE 176 Cb 0.00 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3h7a s ILE 176 CO 0.00 0.35 1.24 -2.28 0.00 0.00 0.00 174.94 174.26 3h7a s HIS 177 N 1.46 2.35 -0.09 3.97 5.65 -0.68 -3.10 115.29 124.85 3h7a s HIS 177 Ca 0.05 -0.02 -0.16 0.00 0.25 0.00 0.00 55.06 55.18 3h7a s HIS 177 Cb -0.15 -4.59 -0.05 0.00 -1.18 0.00 0.00 32.58 26.62 3h7a s HIS 177 CO -0.03 -1.98 0.39 0.08 -0.65 0.00 0.00 174.74 172.55 3h7a s VAL 178 N 5.51 5.18 0.07 0.89 1.01 -1.26 -0.83 120.40 130.98 3h7a s VAL 178 Ca 0.35 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 3h7a s VAL 178 Cb -0.09 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3h7a s VAL 178 CO 0.16 0.43 0.08 0.00 0.00 0.00 0.00 175.10 175.77 3h7a s ALA 179 N 0.03 0.12 -0.20 5.51 0.00 -0.33 -4.55 121.76 122.34 3h7a s ALA 179 Ca 0.22 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3h7a s ALA 179 Cb -0.15 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.40 3h7a s ALA 179 CO 0.09 -0.43 0.03 -1.58 0.00 0.00 0.00 175.76 173.87 3h7a s HIS 180 N -3.79 1.05 -0.40 0.00 2.46 0.36 -1.23 115.29 113.74 3h7a s HIS 180 Ca 0.05 -0.88 -0.15 0.00 0.47 0.00 0.00 55.06 54.56 3h7a s HIS 180 Cb 0.06 -1.04 0.01 0.00 -0.13 0.00 0.00 32.58 31.48 3h7a s HIS 180 CO -0.10 -0.61 0.29 -1.17 -2.47 0.00 0.00 174.74 170.67 3h7a s LEU 181 N 1.85 5.00 -0.25 8.88 2.96 0.10 -2.09 118.68 135.13 3h7a s LEU 181 Ca -0.01 -0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 52.86 3h7a s LEU 181 Cb -0.17 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3h7a s LEU 181 CO -0.08 -0.41 0.69 -0.63 -1.32 0.00 0.00 176.35 174.59 3h7a s ILE 182 N 1.69 4.94 -0.24 6.68 1.01 0.64 -0.38 121.20 135.53 3h7a s ILE 182 Ca 0.05 1.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 3h7a s ILE 182 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3h7a s ILE 182 CO 0.10 0.00 0.26 -0.63 0.00 0.00 0.00 174.94 174.67 3h7a s ILE 183 N 2.58 5.28 0.00 2.92 1.01 -0.60 -1.30 121.20 131.10 3h7a s ILE 183 Ca 0.29 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3h7a s ILE 183 Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3h7a s ILE 183 CO 0.08 0.28 0.00 0.47 0.00 0.00 0.00 174.94 175.77 3h7a n ASP 184 N 4.60 -0.80 0.00 3.58 8.00 -0.39 -3.83 116.55 127.71 3h7a n ASP 184 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3h7a n ASP 184 Cb 0.52 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.35 3h7a n ASP 184 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h7a n MET 212 N -0.14 0.00 -1.90 -1.24 0.00 -1.26 -4.75 117.12 107.83 3h7a n MET 212 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 3h7a n MET 212 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 3h7a n MET 212 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3h7a s PRO 213 N -4.14 4.20 0.39 2.12 0.02 -1.26 -4.93 135.00 131.39 3h7a s PRO 213 Ca 0.00 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.52 3h7a s PRO 213 Cb 0.00 -3.04 0.79 0.00 0.02 0.00 0.00 34.50 32.27 3h7a s PRO 213 CO 0.00 -0.47 2.02 -1.35 -0.33 0.00 0.00 177.00 176.87 3h7a h PRO 214 N 4.14 0.56 -0.22 5.54 0.11 -1.96 -2.34 132.00 137.82 3h7a h PRO 214 Ca -0.48 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.64 3h7a h PRO 214 Cb 1.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3h7a h PRO 214 CO 0.72 0.41 0.16 0.00 -0.21 0.00 0.00 178.00 179.09 3h7a h ALA 215 N 1.69 2.17 -0.38 -0.75 0.00 -1.92 -1.82 119.26 118.25 3h7a h ALA 215 Ca 0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3h7a h ALA 215 Cb 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h7a h ALA 215 CO -0.03 -0.27 -0.33 0.00 0.00 0.00 0.00 179.25 178.62 3h7a h ALA 216 N 1.88 0.70 -0.26 0.00 0.00 -1.81 0.04 119.26 119.81 3h7a h ALA 216 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3h7a h ALA 216 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h7a h ALA 216 CO -0.00 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.24 3h7a h VAL 217 N 0.71 1.23 -0.93 0.00 2.07 -1.40 -1.68 116.25 116.24 3h7a h VAL 217 Ca 0.07 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3h7a h VAL 217 Cb 0.89 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3h7a h VAL 217 CO 0.08 0.25 0.62 0.00 0.02 0.00 0.00 177.57 178.54 3h7a h ALA 218 N 0.87 1.18 -0.92 1.67 0.00 -1.28 -1.72 119.26 119.06 3h7a h ALA 218 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h7a h ALA 218 Cb 0.33 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3h7a h ALA 218 CO 0.00 0.58 0.61 0.78 0.00 0.00 0.00 179.25 181.22 3h7a h GLY 219 N 1.26 1.30 1.42 0.00 0.00 -0.79 -1.01 103.07 105.24 3h7a h GLY 219 Ca 0.34 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3h7a h GLY 219 CO -0.07 0.45 -0.66 0.00 0.00 0.00 0.00 176.54 176.26 3h7a h ALA 220 N 1.44 0.56 -0.44 3.60 0.00 -0.46 -1.00 119.26 122.95 3h7a h ALA 220 Ca 0.34 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3h7a h ALA 220 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h7a h ALA 220 CO -0.08 0.71 -0.16 1.88 0.00 0.00 0.00 179.25 181.59 3h7a h TYR 221 N 0.43 0.93 -0.50 0.00 0.05 -1.22 -1.00 116.97 115.66 3h7a h TYR 221 Ca -0.02 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.57 3h7a h TYR 221 Cb 1.23 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3h7a h TYR 221 CO 0.06 0.93 0.33 2.35 -1.05 0.00 0.00 178.16 180.78 3h7a h TRP 222 N 0.74 0.63 -0.39 4.88 2.91 -0.96 0.10 115.95 123.86 3h7a h TRP 222 Ca 0.11 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.23 3h7a h TRP 222 Cb 0.68 -0.21 -0.09 0.00 -0.51 0.00 0.00 29.16 29.03 3h7a h TRP 222 CO 0.04 0.40 -0.30 1.96 -1.03 0.00 0.00 178.44 179.51 3h7a h GLN 223 N 0.68 -0.23 -0.85 2.65 4.20 -1.00 -0.91 115.11 119.65 3h7a h GLN 223 Ca 0.18 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3h7a h GLN 223 Cb -0.07 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3h7a h GLN 223 CO -0.04 -0.15 0.41 -0.07 -0.67 0.00 0.00 178.83 178.31 3h7a h LEU 224 N -0.24 1.10 -0.58 1.46 3.38 -0.75 -2.55 115.31 117.13 3h7a h LEU 224 Ca 0.18 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3h7a h LEU 224 Cb 0.52 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3h7a h LEU 224 CO -0.52 0.93 0.34 0.22 0.09 0.00 0.00 178.44 179.50 3h7a h TYR 225 N 1.21 0.63 0.00 1.13 3.20 -0.43 -2.93 116.97 119.78 3h7a h TYR 225 Ca 0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3h7a h TYR 225 Cb 0.11 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3h7a h TYR 225 CO 0.01 0.34 0.00 1.04 -1.64 0.00 0.00 178.16 177.92 3h7a n GLN 226 N -4.78 0.13 -1.88 1.82 1.13 -0.38 -4.83 117.38 108.60 3h7a n GLN 226 Ca 0.05 0.34 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 3h7a n GLN 226 Cb 0.10 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 28.68 3h7a n GLN 226 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3h7a s GLN 227 N -3.19 4.19 0.57 -1.09 -0.21 -1.11 -4.99 119.66 113.83 3h7a s GLN 227 Ca 0.06 2.43 -0.15 0.00 0.02 0.00 0.00 55.36 57.71 3h7a s GLN 227 Cb 0.10 -3.16 -0.05 0.00 1.00 0.00 0.00 33.01 30.91 3h7a s GLN 227 CO 0.37 -0.65 1.03 -1.25 -2.12 0.00 0.00 175.29 172.67 3h7a s PRO 228 N 1.23 3.52 0.51 2.91 0.04 -1.26 -4.89 135.00 137.05 3h7a s PRO 228 Ca 0.72 1.08 0.24 0.00 0.04 0.00 0.00 61.00 63.08 3h7a s PRO 228 Cb -0.45 -2.07 1.34 0.00 0.04 0.00 0.00 34.50 33.36 3h7a s PRO 228 CO 0.31 -0.63 1.95 -0.22 0.04 0.00 0.00 177.00 178.45 3h7a h LYS 229 N 0.49 0.09 0.00 4.56 3.64 -1.99 0.01 116.57 123.37 3h7a h LYS 229 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3h7a h LYS 229 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3h7a h LYS 229 CO 0.59 0.06 0.00 -1.13 -2.27 0.00 0.00 179.45 176.70 3h7a n SER 230 N -4.38 0.00 -2.89 4.20 3.41 -1.26 -4.00 113.62 108.70 3h7a n SER 230 Ca 0.13 -0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 3h7a n SER 230 Cb 0.67 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3h7a n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h7a n ALA 231 N -1.26 1.17 -2.39 7.33 0.00 -0.02 -5.12 120.51 120.23 3h7a n ALA 231 Ca 0.12 -2.44 -0.38 0.00 0.00 0.00 0.00 53.44 50.75 3h7a n ALA 231 Cb 0.19 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3h7a n ALA 231 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h7a s TRP 232 N -1.29 3.73 -0.09 0.00 0.51 -1.21 -4.54 118.94 116.05 3h7a s TRP 232 Ca 0.30 1.10 -0.02 0.00 -2.12 0.00 0.00 56.10 55.36 3h7a s TRP 232 Cb 0.35 -2.37 -0.03 0.00 -0.81 0.00 0.00 33.47 30.61 3h7a s TRP 232 CO -0.05 0.58 -0.01 0.95 -0.51 0.00 0.00 176.95 177.91 3h7a s THR 233 N -1.18 4.20 -0.15 2.01 -4.23 -1.26 -5.02 115.64 110.02 3h7a s THR 233 Ca 0.29 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.27 3h7a s THR 233 Cb -0.17 -2.77 -0.22 0.00 1.34 0.00 0.00 72.50 70.68 3h7a s THR 233 CO 0.17 0.59 0.57 0.15 -0.54 0.00 0.00 174.62 175.57 3h7a h PHE 234 N 5.32 0.00 -3.51 3.99 3.57 -1.95 -3.44 116.94 120.92 3h7a h PHE 234 Ca -0.49 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.43 3h7a h PHE 234 Cb 1.19 0.00 -0.33 0.00 2.79 0.00 0.00 35.95 39.60 3h7a h PHE 234 CO 0.61 0.96 -0.84 -2.00 -2.23 0.00 0.00 178.31 174.81 3h7a s GLU 235 N -2.18 2.17 -0.03 1.11 2.12 -1.26 -0.49 118.70 120.14 3h7a s GLU 235 Ca -0.19 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.53 3h7a s GLU 235 Cb -0.01 -1.74 0.02 0.00 0.26 0.00 0.00 34.13 32.66 3h7a s GLU 235 CO 0.59 0.13 -0.01 1.41 -0.54 0.00 0.00 175.26 176.84 3h7a s MET 236 N 0.41 0.41 -0.15 4.30 1.75 -0.89 -5.00 119.30 120.12 3h7a s MET 236 Ca -0.13 0.03 -0.06 0.00 -1.25 0.00 0.00 55.69 54.27 3h7a s MET 236 Cb -0.16 -0.54 -0.04 0.00 2.84 0.00 0.00 34.83 36.93 3h7a s MET 236 CO 0.05 -0.11 0.06 -2.00 -0.65 0.00 0.00 175.02 172.37 3h7a s GLU 237 N 0.95 3.67 0.05 4.11 2.12 -1.26 -0.26 118.70 128.07 3h7a s GLU 237 Ca -0.10 -0.31 0.08 0.00 0.36 0.00 0.00 54.97 55.00 3h7a s GLU 237 Cb -0.13 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3h7a s GLU 237 CO -0.01 0.46 -0.23 0.96 -0.54 0.00 0.00 175.26 175.90 3h7a s ILE 238 N -0.17 1.86 0.08 -3.70 -4.36 -0.42 -4.95 121.20 109.54 3h7a s ILE 238 Ca 0.08 -1.30 -0.10 0.00 -0.26 0.00 0.00 60.65 59.06 3h7a s ILE 238 Cb -0.12 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 41.99 3h7a s ILE 238 CO 0.01 0.25 0.23 0.00 0.24 0.00 0.00 174.94 175.67 3h7a s ARG 239 N -1.26 0.84 0.39 0.37 1.70 -1.26 -1.27 118.95 118.47 3h7a s ARG 239 Ca 0.09 -0.84 -0.14 0.00 -0.47 0.00 0.00 55.73 54.38 3h7a s ARG 239 Cb -0.09 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 3h7a s ARG 239 CO 0.02 -0.27 0.80 -1.25 -1.08 0.00 0.00 175.30 173.52 3h7a s PRO 240 N -3.53 3.93 0.00 3.89 0.04 -1.26 -5.05 135.00 133.02 3h7a s PRO 240 Ca 0.02 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3h7a s PRO 240 Cb 0.03 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3h7a s PRO 240 CO -0.09 0.00 0.16 0.66 0.04 0.00 0.00 177.00 177.76