#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukb n LEU 4 N 0.00 0.42 0.21 1.20 4.77 -1.26 -1.73 117.00 120.61 1ukb n LEU 4 Ca 0.00 0.64 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1ukb n LEU 4 Cb 0.00 -0.63 0.46 0.00 -2.33 0.00 0.00 43.42 40.92 1ukb n LEU 4 CO 0.00 -0.62 0.90 -0.33 -1.33 0.00 0.00 177.39 176.01 1ukb h GLU 5 N 0.00 0.00 -5.64 3.23 5.08 -2.03 -3.42 114.58 111.81 1ukb h GLU 5 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1ukb h GLU 5 Cb 0.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 1ukb h GLU 5 CO 0.00 0.00 -0.07 0.42 -1.00 0.00 0.00 179.01 178.36 1ukb s ILE 6 N -3.39 5.13 0.00 3.13 1.01 -0.70 -4.70 121.20 121.68 1ukb s ILE 6 Ca 0.05 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1ukb s ILE 6 Cb 0.08 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1ukb s ILE 6 CO 0.56 0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1ukb n GLY 7 N 3.61 1.82 3.97 6.18 0.00 -1.26 -4.95 105.19 114.55 1ukb n GLY 7 Ca -0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1ukb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukb s LYS 8 N 3.03 3.12 -0.03 1.61 1.02 0.69 -4.86 119.74 124.32 1ukb s LYS 8 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.37 1ukb s LYS 8 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1ukb s LYS 8 CO 0.00 -0.10 -0.20 0.45 -0.92 0.00 0.00 175.35 174.58 1ukb s SER 9 N -4.18 2.39 -0.09 2.83 0.15 -1.26 -1.00 113.70 112.54 1ukb s SER 9 Ca 0.46 -0.38 -0.19 0.00 0.70 0.00 0.00 55.95 56.54 1ukb s SER 9 Cb -0.10 -0.41 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1ukb s SER 9 CO 0.35 0.22 0.47 -0.51 1.20 0.00 0.00 173.24 174.97 1ukb s ILE 10 N -0.31 0.02 -0.17 6.45 2.07 -0.51 -4.97 121.20 123.79 1ukb s ILE 10 Ca 0.04 -0.17 -0.28 0.00 -1.41 0.00 0.00 60.65 58.82 1ukb s ILE 10 Cb -0.09 -0.73 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1ukb s ILE 10 CO 0.00 -0.09 0.98 -0.22 -1.91 0.00 0.00 174.94 173.70 1ukb s LEU 11 N -0.62 4.17 -0.04 8.50 2.96 -1.26 -0.19 118.68 132.20 1ukb s LEU 11 Ca -0.07 1.39 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1ukb s LEU 11 Cb -0.03 -3.48 0.03 0.00 0.50 0.00 0.00 46.19 43.21 1ukb s LEU 11 CO 0.04 -0.52 0.03 0.00 -1.32 0.00 0.00 176.35 174.58 1ukb s ALA 12 N 2.49 0.34 -1.35 5.97 0.00 -0.40 -4.80 121.76 124.01 1ukb s ALA 12 Ca 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1ukb s ALA 12 Cb -0.17 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1ukb s ALA 12 CO 0.12 -0.31 0.24 0.00 0.00 0.00 0.00 175.76 175.81 1ukb n ALA 13 N 4.78 -0.85 -0.99 0.00 0.00 -1.26 -0.54 120.51 121.64 1ukb n ALA 13 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ukb n ALA 13 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1ukb n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukb n GLY 14 N -1.08 0.50 3.26 0.00 0.00 -1.26 -5.00 105.19 101.61 1ukb n GLY 14 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1ukb n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukb s VAL 15 N -2.12 2.37 -0.21 1.61 1.01 0.30 -5.07 120.40 118.29 1ukb s VAL 15 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1ukb s VAL 15 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1ukb s VAL 15 CO 0.00 0.55 1.68 -0.22 0.00 0.00 0.00 175.10 177.11 1ukb s LEU 16 N 0.39 3.89 -0.11 3.92 2.96 -1.26 -1.28 118.68 127.18 1ukb s LEU 16 Ca -0.15 1.69 -0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1ukb s LEU 16 Cb -0.17 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1ukb s LEU 16 CO 0.07 -1.31 -0.07 -0.89 -1.32 0.00 0.00 176.35 172.83 1ukb s THR 17 N 5.41 3.62 -0.04 3.68 2.01 0.73 -0.99 115.64 130.07 1ukb s THR 17 Ca 0.75 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1ukb s THR 17 Cb -0.26 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1ukb s THR 17 CO 0.30 0.54 0.51 0.21 -0.69 0.00 0.00 174.62 175.50 1ukb s ASN 18 N -0.12 6.84 0.21 3.53 2.47 -1.26 -1.42 114.94 125.18 1ukb s ASN 18 Ca 0.01 1.00 -0.19 0.00 0.42 0.00 0.00 52.86 54.09 1ukb s ASN 18 Cb -0.13 -2.31 0.03 0.00 -1.45 0.00 0.00 41.25 37.39 1ukb s ASN 18 CO 0.03 0.12 0.59 -0.72 -3.72 0.00 0.00 177.10 173.39 1ukb s TYR 19 N -0.12 -0.20 0.05 0.43 1.13 -0.17 -0.79 117.35 117.68 1ukb s TYR 19 Ca 0.27 -0.14 0.08 0.00 -1.41 0.00 0.00 57.07 55.87 1ukb s TYR 19 Cb -0.17 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 1ukb s TYR 19 CO 0.14 -0.99 -0.20 -1.01 -2.51 0.00 0.00 175.55 170.98 1ukb s HIS 20 N -3.87 2.49 -0.22 -3.49 3.76 -0.20 -0.22 115.29 113.54 1ukb s HIS 20 Ca 0.08 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1ukb s HIS 20 Cb -0.02 -1.43 0.10 0.00 1.11 0.00 0.00 32.58 32.33 1ukb s HIS 20 CO -0.02 0.23 0.22 0.34 -0.85 0.00 0.00 174.74 174.66 1ukb s ASP 21 N -1.44 1.66 -0.01 1.40 -1.08 -1.25 -1.01 116.67 114.93 1ukb s ASP 21 Ca 0.14 -0.42 0.01 0.00 -0.52 0.00 0.00 52.55 51.77 1ukb s ASP 21 Cb -0.10 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.66 1ukb s ASP 21 CO 0.05 -0.35 -0.04 -0.69 0.52 0.00 0.00 175.17 174.66 1ukb s VAL 22 N 2.30 0.34 0.00 1.11 1.01 -0.39 -4.98 120.40 119.79 1ukb s VAL 22 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1ukb s VAL 22 Cb -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1ukb s VAL 22 CO -0.17 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1ukb n GLY 23 N 3.22 0.75 3.15 4.51 0.00 -1.26 0.24 105.19 115.80 1ukb n GLY 23 Ca -0.16 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 1ukb n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukb s GLU 24 N -1.40 0.79 0.00 1.61 2.02 -1.19 -4.53 118.70 115.99 1ukb s GLU 24 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1ukb s GLU 24 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1ukb s GLU 24 CO 0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1ukb n GLY 25 N 0.01 0.37 3.70 -1.39 0.00 -1.26 -3.01 105.19 103.61 1ukb n GLY 25 Ca -0.13 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1ukb n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ukb n GLN 26 N 0.00 2.76 -2.58 1.61 -0.06 -1.26 -4.29 117.38 113.56 1ukb n GLN 26 Ca 0.00 1.00 -0.40 0.00 -2.00 0.00 0.00 57.00 55.60 1ukb n GLN 26 Cb 0.00 -2.87 -0.05 0.00 -4.06 0.00 0.00 30.24 23.26 1ukb n GLN 26 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ukb s PRO 27 N 1.90 4.72 -0.08 3.69 0.04 -1.26 -1.25 135.00 142.76 1ukb s PRO 27 Ca 0.78 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1ukb s PRO 27 Cb -0.50 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1ukb s PRO 27 CO 0.35 0.33 -0.05 0.08 0.04 0.00 0.00 177.00 177.74 1ukb s VAL 28 N -1.17 0.72 -0.23 -0.36 1.01 0.11 -2.00 120.40 118.49 1ukb s VAL 28 Ca 0.43 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1ukb s VAL 28 Cb -0.30 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1ukb s VAL 28 CO 0.38 0.30 0.12 -0.63 0.00 0.00 0.00 175.10 175.26 1ukb s ILE 29 N 1.40 5.03 -0.22 2.22 -1.09 -0.03 -0.95 121.20 127.56 1ukb s ILE 29 Ca -0.02 0.06 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 1ukb s ILE 29 Cb -0.13 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1ukb s ILE 29 CO -0.03 0.37 0.08 -0.76 -1.23 0.00 0.00 174.94 173.37 1ukb s LEU 30 N 0.99 3.72 -0.24 2.97 1.43 0.15 -0.45 118.68 127.25 1ukb s LEU 30 Ca 0.06 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1ukb s LEU 30 Cb -0.14 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1ukb s LEU 30 CO 0.04 0.08 -0.08 -0.63 0.23 0.00 0.00 176.35 175.98 1ukb s ILE 31 N 0.95 2.78 1.16 -0.59 -1.09 0.42 -4.03 121.20 120.80 1ukb s ILE 31 Ca 0.04 -1.00 -0.16 0.00 -2.23 0.00 0.00 60.65 57.30 1ukb s ILE 31 Cb -0.14 -2.38 0.27 0.00 -1.58 0.00 0.00 42.46 38.63 1ukb s ILE 31 CO 0.03 0.25 1.07 -1.38 -1.23 0.00 0.00 174.94 173.67 1ukb s HIS 32 N 1.32 1.02 0.00 3.97 -3.43 -1.26 -1.01 115.29 115.90 1ukb s HIS 32 Ca 0.01 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.04 1ukb s HIS 32 Cb -0.16 -3.26 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 1ukb s HIS 32 CO -0.05 -3.73 0.00 0.41 -2.00 0.00 0.00 174.74 169.37 1ukb n GLY 33 N -0.40 -0.63 1.46 -1.38 0.00 -1.21 -2.34 105.19 100.69 1ukb n GLY 33 Ca 0.08 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1ukb n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukb n SER 34 N -0.73 2.17 -4.89 1.61 3.41 -1.26 -4.77 113.62 109.16 1ukb n SER 34 Ca 0.00 -3.09 -0.27 0.00 -0.26 0.00 0.00 58.87 55.25 1ukb n SER 34 Cb 0.00 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1ukb n SER 34 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ukb s GLY 35 N -3.07 1.65 0.16 5.00 0.00 -1.26 -4.90 107.32 104.91 1ukb s GLY 35 Ca 0.38 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.95 1ukb s GLY 35 CO -0.07 -0.39 1.49 2.56 0.00 0.00 0.00 173.10 176.69 1ukb s PRO 36 N -5.40 4.26 0.00 2.90 0.04 -1.26 -2.16 135.00 133.38 1ukb s PRO 36 Ca 0.61 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1ukb s PRO 36 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ukb s PRO 36 CO 0.47 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1ukb n GLY 37 N 3.42 0.62 3.75 0.56 0.00 -1.26 -4.71 105.19 107.57 1ukb n GLY 37 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1ukb n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukb s VAL 38 N -2.59 2.57 0.17 1.61 0.11 -0.92 -4.78 120.40 116.58 1ukb s VAL 38 Ca 0.00 0.36 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1ukb s VAL 38 Cb 0.00 -3.15 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 1ukb s VAL 38 CO 0.00 -0.07 0.49 -0.94 -3.33 0.00 0.00 175.10 171.25 1ukb s SER 39 N -1.55 -0.27 0.20 3.54 1.04 -1.26 -2.70 113.70 112.71 1ukb s SER 39 Ca 0.77 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 1ukb s SER 39 Cb -0.31 0.55 0.17 0.00 0.10 0.00 0.00 66.02 66.52 1ukb s SER 39 CO 0.34 -0.99 1.84 0.00 0.98 0.00 0.00 173.24 175.41 1ukb h ALA 40 N 2.23 0.86 -0.18 5.32 0.00 -1.88 -1.89 119.26 123.72 1ukb h ALA 40 Ca -0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ukb h ALA 40 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ukb h ALA 40 CO 0.40 0.17 0.04 -0.92 0.00 0.00 0.00 179.25 178.94 1ukb h TYR 41 N 0.80 0.31 -0.98 0.00 3.20 -1.88 0.10 116.97 118.53 1ukb h TYR 41 Ca 0.26 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1ukb h TYR 41 Cb 0.02 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.13 1ukb h TYR 41 CO -0.05 0.43 0.63 0.00 -1.64 0.00 0.00 178.16 177.54 1ukb h ALA 42 N 0.85 1.46 -0.02 1.82 0.00 -1.89 0.12 119.26 121.59 1ukb h ALA 42 Ca 0.06 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1ukb h ALA 42 Cb 0.28 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ukb h ALA 42 CO 0.00 0.38 -0.79 -0.91 0.00 0.00 0.00 179.25 177.93 1ukb h ASN 43 N 1.11 0.72 -0.32 0.00 -0.26 -1.17 -3.39 115.58 112.27 1ukb h ASN 43 Ca 0.44 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1ukb h ASN 43 Cb 0.24 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1ukb h ASN 43 CO -0.18 1.36 0.00 0.79 -1.06 0.00 0.00 177.43 178.34 1ukb n TRP 44 N -4.05 0.64 0.04 1.19 7.02 0.34 -4.72 117.44 117.90 1ukb n TRP 44 Ca -0.10 -0.63 0.17 0.00 -1.02 0.00 0.00 57.50 55.92 1ukb n TRP 44 Cb 0.76 -0.13 0.67 0.00 -2.42 0.00 0.00 31.31 30.19 1ukb n TRP 44 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1ukb h ARG 45 N 1.97 0.02 -0.01 -0.99 0.11 -0.97 -0.66 114.38 113.85 1ukb h ARG 45 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ukb h ARG 45 Cb 0.99 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1ukb h ARG 45 CO 0.08 0.01 -0.41 1.28 0.10 0.00 0.00 179.97 181.04 1ukb n LEU 46 N -4.41 1.82 -0.12 0.08 4.77 -1.26 -4.40 117.00 113.47 1ukb n LEU 46 Ca 0.07 -0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 1ukb n LEU 46 Cb 0.50 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1ukb n LEU 46 CO 0.36 0.34 -1.29 0.41 -1.33 0.00 0.00 177.39 175.88 1ukb n THR 47 N -0.13 1.53 -0.08 -5.08 -1.04 -0.38 -4.48 114.28 104.63 1ukb n THR 47 Ca 0.10 -0.53 -0.07 0.00 -2.04 0.00 0.00 64.05 61.51 1ukb n THR 47 Cb 0.44 -1.56 -0.00 0.00 -1.82 0.00 0.00 70.33 67.39 1ukb n THR 47 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ukb h ILE 48 N -0.20 0.80 -0.74 12.58 2.04 -1.43 -1.88 117.51 128.67 1ukb h ILE 48 Ca -0.58 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.34 1ukb h ILE 48 Cb 1.85 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.55 1ukb h ILE 48 CO -0.14 0.02 0.38 -0.65 0.00 0.00 0.00 178.15 177.77 1ukb h PRO 49 N 0.10 0.63 0.15 2.37 0.11 -1.81 0.15 132.00 133.70 1ukb h PRO 49 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1ukb h PRO 49 Cb 0.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1ukb h PRO 49 CO -0.23 0.42 -0.07 0.00 -0.21 0.00 0.00 178.00 177.90 1ukb h ALA 50 N 1.44 -0.21 -0.23 -0.75 0.00 -1.72 -3.31 119.26 114.48 1ukb h ALA 50 Ca 0.36 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1ukb h ALA 50 Cb 0.37 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ukb h ALA 50 CO -0.27 -0.40 -0.29 -0.07 0.00 0.00 0.00 179.25 178.23 1ukb h LEU 51 N -0.64 0.47 0.00 0.00 4.07 -1.22 -3.03 115.31 114.97 1ukb h LEU 51 Ca -0.02 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1ukb h LEU 51 Cb 0.48 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1ukb h LEU 51 CO 0.03 0.75 0.00 -1.54 -1.08 0.00 0.00 178.44 176.60 1ukb n SER 52 N -4.10 0.00 0.22 -0.43 3.41 0.53 -0.99 113.62 112.25 1ukb n SER 52 Ca -0.01 0.49 0.14 0.00 -0.26 0.00 0.00 58.87 59.23 1ukb n SER 52 Cb 0.43 -0.50 0.37 0.00 -0.26 0.00 0.00 64.21 64.25 1ukb n SER 52 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ukb h LYS 53 N 0.00 0.00 0.00 4.33 1.79 -1.62 -3.35 116.57 117.71 1ukb h LYS 53 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ukb h LYS 53 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ukb h LYS 53 CO 0.00 0.00 -0.15 1.19 -1.08 0.00 0.00 179.45 179.41 1ukb n PHE 54 N -2.93 0.00 -4.20 -1.35 3.72 -0.48 -5.00 117.46 107.22 1ukb n PHE 54 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 1ukb n PHE 54 Cb 0.43 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.87 1ukb n PHE 54 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ukb s TYR 55 N -0.72 1.15 -0.36 1.38 2.02 -0.16 -4.59 117.35 116.06 1ukb s TYR 55 Ca 0.00 -1.32 -0.17 0.00 -0.37 0.00 0.00 57.07 55.21 1ukb s TYR 55 Cb 0.00 -0.59 -0.00 0.00 -0.40 0.00 0.00 41.96 40.97 1ukb s TYR 55 CO 0.00 -0.57 0.44 0.50 -1.57 0.00 0.00 175.55 174.35 1ukb s ARG 56 N -4.12 3.53 -0.26 -0.62 3.52 -0.38 -3.19 118.95 117.43 1ukb s ARG 56 Ca 0.36 -0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.52 1ukb s ARG 56 Cb 0.07 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1ukb s ARG 56 CO 0.10 -0.62 0.14 0.08 -0.81 0.00 0.00 175.30 174.19 1ukb s VAL 57 N 2.21 5.03 -0.18 7.11 1.01 0.14 -0.71 120.40 135.01 1ukb s VAL 57 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ukb s VAL 57 Cb -0.16 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ukb s VAL 57 CO 0.13 0.31 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1ukb s ILE 58 N 1.48 2.90 -0.31 2.22 1.01 -0.13 -1.26 121.20 127.11 1ukb s ILE 58 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1ukb s ILE 58 Cb -0.15 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.16 1ukb s ILE 58 CO 0.07 0.49 0.10 0.00 0.00 0.00 0.00 174.94 175.60 1ukb s ALA 59 N 1.04 1.56 0.28 9.38 0.00 -0.18 -0.67 121.76 133.16 1ukb s ALA 59 Ca -0.01 -1.71 -0.00 0.00 0.00 0.00 0.00 51.96 50.24 1ukb s ALA 59 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1ukb s ALA 59 CO -0.02 -1.68 0.48 -1.25 0.00 0.00 0.00 175.76 173.28 1ukb s PRO 60 N 1.57 3.52 -0.29 0.00 0.04 -1.26 -1.04 135.00 137.55 1ukb s PRO 60 Ca 0.10 -0.32 -0.20 0.00 0.04 0.00 0.00 61.00 60.62 1ukb s PRO 60 Cb -0.17 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1ukb s PRO 60 CO -0.24 0.27 0.61 -0.51 0.04 0.00 0.00 177.00 177.18 1ukb s ASP 61 N -3.59 6.50 0.53 6.66 1.01 0.03 -4.47 116.67 123.34 1ukb s ASP 61 Ca 0.39 0.49 -0.22 0.00 0.71 0.00 0.00 52.55 53.93 1ukb s ASP 61 Cb -0.10 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1ukb s ASP 61 CO 0.32 -0.43 1.31 -0.04 0.21 0.00 0.00 175.17 176.53 1ukb s MET 62 N 2.55 3.29 0.14 8.23 -1.94 -1.26 -4.58 119.30 125.73 1ukb s MET 62 Ca 0.25 2.11 -0.34 0.00 -1.71 0.00 0.00 55.69 56.00 1ukb s MET 62 Cb -0.15 -2.29 -0.14 0.00 2.01 0.00 0.00 34.83 34.26 1ukb s MET 62 CO 0.11 -1.03 1.56 1.55 -0.01 0.00 0.00 175.02 177.19 1ukb n VAL 63 N -0.91 0.02 0.00 -6.03 3.14 -1.26 -0.64 118.33 112.65 1ukb n VAL 63 Ca 0.10 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1ukb n VAL 63 Cb 0.46 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.79 1ukb n VAL 63 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ukb n GLY 64 N 3.33 0.64 3.35 7.55 0.00 -1.26 -5.05 105.19 113.75 1ukb n GLY 64 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1ukb n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ukb s PHE 65 N -2.14 1.67 0.00 1.61 0.08 0.19 -4.76 117.98 114.63 1ukb s PHE 65 Ca 0.00 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1ukb s PHE 65 Cb 0.00 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1ukb s PHE 65 CO 0.00 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 1ukb n GLY 66 N -0.42 2.59 1.40 4.36 0.00 -1.10 -3.05 105.19 108.98 1ukb n GLY 66 Ca -0.07 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1ukb n GLY 66 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ukb n PHE 67 N 14.00 1.25 -2.15 1.61 3.72 -1.26 -4.95 117.46 129.68 1ukb n PHE 67 Ca 0.00 -0.60 -0.32 0.00 -0.05 0.00 0.00 57.45 56.48 1ukb n PHE 67 Cb 0.00 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 1ukb n PHE 67 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ukb s THR 68 N -1.66 4.23 0.56 4.37 2.01 -1.17 -4.47 115.64 119.51 1ukb s THR 68 Ca 0.47 1.01 -0.21 0.00 0.31 0.00 0.00 61.69 63.27 1ukb s THR 68 Cb 0.29 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1ukb s THR 68 CO 0.24 -0.67 1.30 -1.81 -0.69 0.00 0.00 174.62 172.99 1ukb s ASP 69 N -3.12 5.24 -0.70 3.53 1.11 -0.16 -4.69 116.67 117.88 1ukb s ASP 69 Ca 0.60 2.63 0.01 0.00 0.18 0.00 0.00 52.55 55.97 1ukb s ASP 69 Cb -0.13 -2.62 0.17 0.00 1.07 0.00 0.00 42.92 41.41 1ukb s ASP 69 CO 0.37 -1.58 0.51 -0.13 1.18 0.00 0.00 175.17 175.52 1ukb s ARG 70 N -3.04 2.61 0.22 8.23 0.52 -1.26 -4.04 118.95 122.19 1ukb s ARG 70 Ca 0.74 -2.99 -0.31 0.00 -0.52 0.00 0.00 55.73 52.65 1ukb s ARG 70 Cb -0.37 -3.62 -0.15 0.00 0.52 0.00 0.00 34.95 31.34 1ukb s ARG 70 CO 0.42 -1.22 1.15 -2.30 0.02 0.00 0.00 175.30 173.38 1ukb n PRO 71 N 2.65 1.37 -1.80 3.54 -0.02 -1.26 -4.89 135.00 134.60 1ukb n PRO 71 Ca 0.14 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1ukb n PRO 71 Cb 0.36 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1ukb n PRO 71 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ukb s GLU 72 N -0.79 4.16 -1.69 -0.52 2.12 -1.26 -1.88 118.70 118.84 1ukb s GLU 72 Ca 0.67 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.51 1ukb s GLU 72 Cb -0.77 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1ukb s GLU 72 CO 0.54 -0.73 0.00 0.09 -0.54 0.00 0.00 175.26 174.63 1ukb n ASN 73 N 4.45 -5.04 -4.77 -1.70 5.03 -1.26 -4.95 115.26 107.02 1ukb n ASN 73 Ca 0.16 0.28 -0.40 0.00 0.87 0.00 0.00 54.58 55.48 1ukb n ASN 73 Cb 0.37 -4.07 -0.00 0.00 -1.02 0.00 0.00 39.78 35.06 1ukb n ASN 73 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ukb s TYR 74 N -2.70 2.69 -0.67 3.10 5.04 -0.79 -4.95 117.35 119.07 1ukb s TYR 74 Ca 0.00 1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 55.74 1ukb s TYR 74 Cb 0.00 -3.88 0.15 0.00 0.35 0.00 0.00 41.96 38.58 1ukb s TYR 74 CO 0.00 -2.62 0.69 1.21 -1.34 0.00 0.00 175.55 173.49 1ukb s ASN 75 N -0.37 6.40 0.13 4.32 2.47 -1.26 -5.04 114.94 121.58 1ukb s ASN 75 Ca 0.54 -1.99 -0.30 0.00 0.42 0.00 0.00 52.86 51.53 1ukb s ASN 75 Cb -0.43 -2.25 -0.07 0.00 -1.45 0.00 0.00 41.25 37.05 1ukb s ASN 75 CO 0.58 -0.86 1.14 -0.31 -3.72 0.00 0.00 177.10 173.92 1ukb s TYR 76 N 1.55 3.52 0.04 0.43 2.02 -1.26 -4.78 117.35 118.87 1ukb s TYR 76 Ca 0.12 1.49 -0.28 0.00 -0.37 0.00 0.00 57.07 58.03 1ukb s TYR 76 Cb -0.20 -3.33 0.09 0.00 -0.40 0.00 0.00 41.96 38.11 1ukb s TYR 76 CO -0.01 -0.87 0.91 -1.54 -1.57 0.00 0.00 175.55 172.48 1ukb s SER 77 N 0.36 -0.31 0.20 2.29 1.04 -1.26 -4.98 113.70 111.05 1ukb s SER 77 Ca 0.53 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 1ukb s SER 77 Cb -0.29 0.41 0.24 0.00 0.10 0.00 0.00 66.02 66.48 1ukb s SER 77 CO 0.33 -0.69 1.75 0.50 0.98 0.00 0.00 173.24 176.10 1ukb h LYS 78 N 2.00 0.39 -0.54 4.02 3.64 -1.95 -0.17 116.57 123.95 1ukb h LYS 78 Ca -0.23 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 1ukb h LYS 78 Cb 1.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1ukb h LYS 78 CO 0.29 0.26 0.03 -0.44 -2.27 0.00 0.00 179.45 177.31 1ukb h ASP 79 N 0.40 0.87 -0.31 4.20 3.32 -1.95 -1.35 116.42 121.58 1ukb h ASP 79 Ca 0.28 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1ukb h ASP 79 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1ukb h ASP 79 CO -0.28 0.92 -0.22 0.28 -1.72 0.00 0.00 179.24 178.22 1ukb h SER 80 N 0.84 0.81 -0.19 6.45 0.02 -1.66 -0.99 113.55 118.84 1ukb h SER 80 Ca 0.16 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1ukb h SER 80 Cb 0.46 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1ukb h SER 80 CO 0.02 1.00 -0.31 -0.50 -1.14 0.00 0.00 176.83 175.90 1ukb h TRP 81 N 0.70 0.79 -0.67 3.45 6.55 -0.82 -0.99 115.95 124.96 1ukb h TRP 81 Ca 0.10 -0.20 -0.04 0.00 0.95 0.00 0.00 58.89 59.69 1ukb h TRP 81 Cb 0.73 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.82 1ukb h TRP 81 CO 0.04 0.91 0.25 0.28 -1.05 0.00 0.00 178.44 178.87 1ukb h VAL 82 N 0.58 1.24 -0.49 1.49 2.07 -1.02 -1.27 116.25 118.86 1ukb h VAL 82 Ca 0.07 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1ukb h VAL 82 Cb 0.81 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ukb h VAL 82 CO 0.07 0.31 0.22 0.44 0.02 0.00 0.00 177.57 178.63 1ukb h ASP 83 N 0.95 0.61 -0.28 0.57 3.32 -0.76 -0.90 116.42 119.94 1ukb h ASP 83 Ca 0.22 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1ukb h ASP 83 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1ukb h ASP 83 CO -0.01 0.54 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.27 1ukb h HIS 84 N 0.68 0.57 -0.27 4.55 2.76 -0.48 0.14 115.15 123.12 1ukb h HIS 84 Ca 0.17 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1ukb h HIS 84 Cb 0.10 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1ukb h HIS 84 CO 0.01 0.70 0.12 0.82 -1.30 0.00 0.00 177.93 178.27 1ukb h ILE 85 N 0.29 0.98 -0.52 6.26 2.04 -0.70 0.11 117.51 125.96 1ukb h ILE 85 Ca 0.07 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1ukb h ILE 85 Cb 0.49 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1ukb h ILE 85 CO 0.02 0.05 0.08 0.40 0.00 0.00 0.00 178.15 178.70 1ukb h ILE 86 N 0.26 1.23 -0.71 -0.67 1.08 -1.09 -1.01 117.51 116.60 1ukb h ILE 86 Ca 0.11 -0.90 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1ukb h ILE 86 Cb 0.04 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 1ukb h ILE 86 CO -0.09 0.33 0.27 1.23 -0.69 0.00 0.00 178.15 179.20 1ukb h GLY 87 N 0.97 1.14 0.90 5.37 0.00 0.05 0.17 103.07 111.67 1ukb h GLY 87 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1ukb h GLY 87 CO 0.01 0.58 0.00 -2.22 0.00 0.00 0.00 176.54 174.91 1ukb h ILE 88 N 1.03 1.26 -0.47 2.60 2.04 -0.30 0.04 117.51 123.70 1ukb h ILE 88 Ca 0.24 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ukb h ILE 88 Cb 0.22 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1ukb h ILE 88 CO -0.02 0.31 0.20 0.24 0.00 0.00 0.00 178.15 178.89 1ukb h MET 89 N 0.38 0.70 -0.34 2.37 2.86 -0.79 -1.91 114.93 118.20 1ukb h MET 89 Ca 0.09 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ukb h MET 89 Cb 0.44 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ukb h MET 89 CO 0.02 0.62 0.20 -0.44 1.06 0.00 0.00 176.91 178.36 1ukb h ASP 90 N 0.62 0.42 -0.35 1.22 3.32 -0.55 0.14 116.42 121.24 1ukb h ASP 90 Ca 0.16 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1ukb h ASP 90 Cb 0.17 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1ukb h ASP 90 CO -0.02 0.37 0.24 0.00 -1.72 0.00 0.00 179.24 178.11 1ukb h ALA 91 N 1.07 1.86 -0.54 3.45 0.00 -0.76 -1.95 119.26 122.40 1ukb h ALA 91 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ukb h ALA 91 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ukb h ALA 91 CO -0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1ukb n LEU 92 N -4.49 3.34 -3.02 0.00 4.77 -0.74 -4.94 117.00 111.93 1ukb n LEU 92 Ca 0.03 -1.59 -0.22 0.00 -0.03 0.00 0.00 56.01 54.20 1ukb n LEU 92 Cb 0.14 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1ukb n LEU 92 CO 0.35 0.79 -0.01 1.21 -1.33 0.00 0.00 177.39 178.40 1ukb n GLU 93 N 1.35 -4.70 -3.07 3.23 0.00 -0.59 -4.93 120.64 111.93 1ukb n GLU 93 Ca 0.21 0.89 -0.44 0.00 0.00 0.00 0.00 57.16 57.82 1ukb n GLU 93 Cb 0.55 -5.74 -0.05 0.00 0.00 0.00 0.00 31.44 26.20 1ukb n GLU 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1ukb s ILE 94 N -3.16 4.74 0.12 6.31 -1.09 0.38 -4.91 121.20 123.59 1ukb s ILE 94 Ca 0.30 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 1ukb s ILE 94 Cb -0.13 -4.45 -0.19 0.00 -1.58 0.00 0.00 42.46 36.12 1ukb s ILE 94 CO 0.37 -1.04 1.29 -0.33 -1.23 0.00 0.00 174.94 173.99 1ukb h GLU 95 N 9.17 0.49 -2.77 2.79 5.08 -1.92 -3.41 114.58 124.02 1ukb h GLU 95 Ca -0.28 -0.51 -0.13 0.00 -1.00 0.00 0.00 59.36 57.44 1ukb h GLU 95 Cb 1.09 0.14 -0.24 0.00 0.50 0.00 0.00 28.75 30.23 1ukb h GLU 95 CO 1.06 1.15 -0.26 0.21 -1.00 0.00 0.00 179.01 180.17 1ukb s LYS 96 N -3.33 0.45 0.14 2.33 2.20 -1.26 -4.47 119.74 115.81 1ukb s LYS 96 Ca -0.07 0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 55.97 1ukb s LYS 96 Cb 0.08 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1ukb s LYS 96 CO 0.88 -0.06 0.37 0.00 -0.36 0.00 0.00 175.35 176.18 1ukb s ALA 97 N 0.31 -0.69 0.47 3.13 0.00 -0.73 -4.66 121.76 119.58 1ukb s ALA 97 Ca -0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 1ukb s ALA 97 Cb -0.03 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 1ukb s ALA 97 CO -0.01 -0.65 0.87 -1.01 0.00 0.00 0.00 175.76 174.96 1ukb s HIS 98 N -3.85 3.48 -0.03 0.00 3.76 -0.85 -0.93 115.29 116.87 1ukb s HIS 98 Ca 0.06 1.21 0.01 0.00 -0.15 0.00 0.00 55.06 56.19 1ukb s HIS 98 Cb 0.02 -2.58 0.02 0.00 1.11 0.00 0.00 32.58 31.14 1ukb s HIS 98 CO -0.08 -0.26 -0.05 0.42 -0.85 0.00 0.00 174.74 173.91 1ukb s ILE 99 N -2.55 0.54 -0.29 0.60 1.01 -0.10 -0.85 121.20 119.55 1ukb s ILE 99 Ca 0.54 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.98 1ukb s ILE 99 Cb -0.10 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1ukb s ILE 99 CO 0.34 0.21 0.03 -0.69 0.00 0.00 0.00 174.94 174.83 1ukb s VAL 100 N 0.63 3.43 -0.21 2.92 1.01 0.40 -0.94 120.40 127.64 1ukb s VAL 100 Ca -0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1ukb s VAL 100 Cb -0.12 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1ukb s VAL 100 CO 0.00 0.02 -0.06 -0.83 0.00 0.00 0.00 175.10 174.24 1ukb s GLY 101 N 1.38 1.59 -0.34 4.51 0.00 0.16 -0.44 107.32 114.19 1ukb s GLY 101 Ca -0.01 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.40 1ukb s GLY 101 CO -0.00 0.39 0.35 0.21 0.00 0.00 0.00 173.10 174.05 1ukb s ASN 102 N 1.42 6.17 1.27 1.64 2.47 -0.18 -1.65 114.94 126.08 1ukb s ASN 102 Ca 0.05 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1ukb s ASN 102 Cb -0.14 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1ukb s ASN 102 CO -0.04 -0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.02 1ukb n ALA 103 N 5.36 0.00 -0.28 1.71 0.00 0.50 -0.55 120.51 127.24 1ukb n ALA 103 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1ukb n ALA 103 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 1ukb n ALA 103 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ukb h PHE 104 N 0.00 -0.55 0.00 0.00 3.57 -1.84 0.65 116.94 118.76 1ukb h PHE 104 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ukb h PHE 104 Cb 0.00 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1ukb h PHE 104 CO 0.00 -0.36 -0.05 0.78 -2.23 0.00 0.00 178.31 176.45 1ukb h GLY 105 N -0.03 0.00 1.40 2.40 0.00 -0.43 -1.79 103.07 104.63 1ukb h GLY 105 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 1ukb h GLY 105 CO -0.82 0.00 -0.32 -1.33 0.00 0.00 0.00 176.54 174.07 1ukb h GLY 106 N 0.22 0.74 1.14 4.60 0.00 0.27 0.52 103.07 110.56 1ukb h GLY 106 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1ukb h GLY 106 CO 0.01 0.62 -0.12 -1.33 0.00 0.00 0.00 176.54 175.72 1ukb h GLY 107 N 0.99 1.09 1.36 4.60 0.00 -0.73 -1.93 103.07 108.45 1ukb h GLY 107 Ca 0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 1ukb h GLY 107 CO 0.07 0.80 -0.17 1.41 0.00 0.00 0.00 176.54 178.65 1ukb h LEU 108 N 0.89 0.75 -0.24 3.11 3.38 -1.20 -1.68 115.31 120.32 1ukb h LEU 108 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ukb h LEU 108 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ukb h LEU 108 CO 0.05 0.92 0.14 0.00 0.09 0.00 0.00 178.44 179.64 1ukb h ALA 109 N 1.14 0.31 -0.27 1.53 0.00 -0.62 0.43 119.26 121.78 1ukb h ALA 109 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ukb h ALA 109 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ukb h ALA 109 CO 0.05 -0.17 0.17 0.82 0.00 0.00 0.00 179.25 180.11 1ukb h ILE 110 N 0.28 1.05 -0.43 0.00 2.04 -1.18 -0.96 117.51 118.30 1ukb h ILE 110 Ca 0.09 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1ukb h ILE 110 Cb 0.05 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1ukb h ILE 110 CO -0.01 0.06 0.15 0.00 0.00 0.00 0.00 178.15 178.34 1ukb h ALA 111 N 1.11 1.45 -0.27 1.87 0.00 -1.06 -1.56 119.26 120.80 1ukb h ALA 111 Ca 0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1ukb h ALA 111 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ukb h ALA 111 CO -0.04 0.42 -0.33 1.15 0.00 0.00 0.00 179.25 180.45 1ukb h THR 112 N 0.62 1.31 -0.02 0.00 2.02 -0.51 -2.09 112.91 114.23 1ukb h THR 112 Ca 0.15 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 1ukb h THR 112 Cb 0.17 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1ukb h THR 112 CO -0.01 0.48 -0.16 0.00 0.37 0.00 0.00 175.52 176.20 1ukb h ALA 113 N 0.68 1.70 0.09 6.16 0.00 -0.77 0.38 119.26 127.49 1ukb h ALA 113 Ca 0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.50 1ukb h ALA 113 Cb 0.91 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.69 1ukb h ALA 113 CO 0.08 0.23 -1.17 -0.07 0.00 0.00 0.00 179.25 178.32 1ukb h LEU 114 N 0.03 0.88 0.00 0.00 3.38 -1.15 -2.66 115.31 115.79 1ukb h LEU 114 Ca 0.01 -0.80 -0.25 0.00 0.09 0.00 0.00 57.88 56.92 1ukb h LEU 114 Cb 0.30 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1ukb h LEU 114 CO 0.02 1.58 -1.41 0.03 0.09 0.00 0.00 178.44 178.75 1ukb h ARG 115 N 0.28 0.00 -1.90 1.13 3.08 -1.17 -3.39 114.38 112.42 1ukb h ARG 115 Ca -0.17 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.37 1ukb h ARG 115 Cb 1.84 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.48 1ukb h ARG 115 CO 0.23 0.65 -0.97 0.66 -1.07 0.00 0.00 179.97 179.46 1ukb n TYR 116 N -3.14 1.94 -0.34 3.04 4.01 0.13 -4.94 117.16 117.85 1ukb n TYR 116 Ca -0.10 -3.65 0.16 0.00 -0.16 0.00 0.00 57.90 54.14 1ukb n TYR 116 Cb 0.99 -0.40 0.37 0.00 -0.31 0.00 0.00 39.34 39.99 1ukb n TYR 116 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ukb h SER 117 N 2.95 0.71 0.57 7.72 0.87 -1.61 0.65 113.55 125.41 1ukb h SER 117 Ca 0.10 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1ukb h SER 117 Cb 0.84 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1ukb h SER 117 CO 0.64 0.19 0.00 -1.84 -0.53 0.00 0.00 176.83 175.30 1ukb n GLU 118 N -4.79 0.14 0.00 2.24 0.00 -1.26 -2.56 120.64 114.42 1ukb n GLU 118 Ca 0.25 0.42 0.11 0.00 0.00 0.00 0.00 57.16 57.93 1ukb n GLU 118 Cb 0.67 -1.80 -0.01 0.00 0.00 0.00 0.00 31.44 30.30 1ukb n GLU 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ukb n ARG 119 N -2.07 0.02 -4.80 3.44 5.12 0.22 -4.75 116.66 113.84 1ukb n ARG 119 Ca 0.02 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 1ukb n ARG 119 Cb 0.19 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.84 1ukb n ARG 119 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ukb s VAL 120 N -2.99 3.02 0.00 1.55 1.01 -1.06 -1.77 120.40 120.16 1ukb s VAL 120 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1ukb s VAL 120 Cb 0.16 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ukb s VAL 120 CO 0.82 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 175.77 1ukb n ASP 121 N 3.49 0.00 -4.92 3.32 -0.08 -0.11 -4.89 116.55 113.37 1ukb n ASP 121 Ca -0.18 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.81 1ukb n ASP 121 Cb 0.53 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.95 1ukb n ASP 121 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1ukb s ARG 122 N 0.84 3.54 0.05 -0.67 0.52 -1.26 -4.38 118.95 117.59 1ukb s ARG 122 Ca 0.00 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1ukb s ARG 122 Cb 0.00 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 1ukb s ARG 122 CO 0.00 0.44 -0.18 -1.64 0.02 0.00 0.00 175.30 173.94 1ukb s MET 123 N -3.07 1.16 -0.14 3.54 -1.94 -0.90 -0.92 119.30 117.02 1ukb s MET 123 Ca 0.39 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1ukb s MET 123 Cb -0.11 -1.24 0.02 0.00 2.01 0.00 0.00 34.83 35.50 1ukb s MET 123 CO 0.28 0.31 -0.15 0.08 -0.01 0.00 0.00 175.02 175.52 1ukb s VAL 124 N -0.87 1.62 -0.25 -6.03 1.01 -0.12 -0.60 120.40 115.16 1ukb s VAL 124 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1ukb s VAL 124 Cb -0.09 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1ukb s VAL 124 CO 0.02 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 174.73 1ukb s LEU 125 N 1.31 3.23 -0.21 3.92 1.43 0.02 -0.66 118.68 127.73 1ukb s LEU 125 Ca 0.02 -1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 51.96 1ukb s LEU 125 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1ukb s LEU 125 CO -0.08 -0.15 0.02 -0.04 0.23 0.00 0.00 176.35 176.33 1ukb s MET 126 N 1.22 3.66 -1.60 1.70 -1.94 -0.66 -0.40 119.30 121.30 1ukb s MET 126 Ca -0.03 -0.49 -0.17 0.00 -1.71 0.00 0.00 55.69 53.29 1ukb s MET 126 Cb -0.18 -3.14 0.17 0.00 2.01 0.00 0.00 34.83 33.69 1ukb s MET 126 CO -0.05 0.01 0.42 0.41 -0.01 0.00 0.00 175.02 175.79 1ukb n GLY 127 N 4.29 -0.30 3.78 -0.03 0.00 0.02 -0.37 105.19 112.57 1ukb n GLY 127 Ca -0.17 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1ukb n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukb s ALA 128 N -3.23 2.89 0.85 4.61 0.00 -1.26 -3.54 121.76 122.08 1ukb s ALA 128 Ca 0.59 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1ukb s ALA 128 Cb -0.34 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1ukb s ALA 128 CO 0.90 -0.46 1.16 0.00 0.00 0.00 0.00 175.76 177.36 1ukb s ALA 129 N -1.78 2.31 0.00 0.00 0.00 -0.43 -4.67 121.76 117.19 1ukb s ALA 129 Ca 0.66 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1ukb s ALA 129 Cb -0.22 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ukb s ALA 129 CO 0.26 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.51 1ukb n GLY 130 N -2.90 1.31 3.38 0.00 0.00 -1.26 -2.78 105.19 102.94 1ukb n GLY 130 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1ukb n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ukb s THR 131 N -0.09 2.01 -0.29 2.61 -4.23 -1.26 -0.52 115.64 113.87 1ukb s THR 131 Ca 0.00 -2.16 -0.23 0.00 -1.18 0.00 0.00 61.69 58.12 1ukb s THR 131 Cb 0.00 -2.06 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 1ukb s THR 131 CO 0.00 -0.42 0.76 -0.13 -0.54 0.00 0.00 174.62 174.28 1ukb s ARG 132 N -3.28 4.02 0.06 3.99 0.52 -1.26 -4.76 118.95 118.23 1ukb s ARG 132 Ca 0.22 0.62 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 1ukb s ARG 132 Cb -0.04 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 1ukb s ARG 132 CO 0.09 -0.60 -0.11 -0.59 0.02 0.00 0.00 175.30 174.12 1ukb s PHE 133 N 2.83 0.93 0.19 -0.53 -0.12 -1.26 -5.07 117.98 114.96 1ukb s PHE 133 Ca 0.31 -0.50 -0.31 0.00 -0.05 0.00 0.00 56.93 56.38 1ukb s PHE 133 Cb -0.15 -0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 41.61 1ukb s PHE 133 CO 0.11 -0.02 1.54 -0.51 -0.05 0.00 0.00 175.22 176.29 1ukb s ASP 134 N -1.72 6.59 0.21 1.98 1.01 -1.26 -4.89 116.67 118.58 1ukb s ASP 134 Ca -0.05 2.65 -0.32 0.00 0.71 0.00 0.00 52.55 55.54 1ukb s ASP 134 Cb -0.09 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 1ukb s ASP 134 CO 0.01 -0.80 1.16 0.55 0.21 0.00 0.00 175.17 176.30 1ukb n VAL 135 N 3.46 1.13 -3.78 -1.27 3.14 -1.26 -4.96 118.33 114.78 1ukb n VAL 135 Ca 0.12 -0.28 -0.23 0.00 -2.96 0.00 0.00 64.34 60.99 1ukb n VAL 135 Cb 0.39 -0.96 -0.02 0.00 -1.06 0.00 0.00 33.84 32.19 1ukb n VAL 135 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ukb s THR 136 N -0.35 5.22 0.39 1.55 -4.23 -1.26 -4.99 115.64 111.96 1ukb s THR 136 Ca 0.69 -0.77 0.11 0.00 -1.18 0.00 0.00 61.69 60.54 1ukb s THR 136 Cb -0.79 -3.84 0.13 0.00 1.34 0.00 0.00 72.50 69.34 1ukb s THR 136 CO 0.53 -0.36 1.88 -0.08 -0.54 0.00 0.00 174.62 176.05 1ukb h GLU 137 N 1.19 0.12 -0.05 3.99 4.57 -1.93 -1.49 114.58 120.99 1ukb h GLU 137 Ca -0.51 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1ukb h GLU 137 Cb 1.22 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1ukb h GLU 137 CO 0.62 0.36 0.03 0.78 -1.18 0.00 0.00 179.01 179.62 1ukb h GLY 138 N 0.85 0.07 1.29 1.92 0.00 -1.89 0.09 103.07 105.41 1ukb h GLY 138 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1ukb h GLY 138 CO 0.03 0.03 -0.34 -2.00 0.00 0.00 0.00 176.54 174.26 1ukb h LEU 139 N -0.03 0.83 -1.17 3.11 5.85 -1.69 -1.17 115.31 121.05 1ukb h LEU 139 Ca 0.02 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1ukb h LEU 139 Cb 0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1ukb h LEU 139 CO -0.00 1.10 0.01 -1.13 -0.34 0.00 0.00 178.44 178.07 1ukb h ASN 140 N 0.66 0.55 -0.24 1.25 -1.24 -1.14 0.05 115.58 115.47 1ukb h ASN 140 Ca 0.07 -0.11 -0.14 0.00 0.71 0.00 0.00 56.30 56.83 1ukb h ASN 140 Cb 0.89 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.80 1ukb h ASN 140 CO 0.08 0.61 -0.40 0.00 -1.29 0.00 0.00 177.43 176.43 1ukb h ALA 141 N 1.46 0.37 0.20 1.57 0.00 -0.75 -0.32 119.26 121.78 1ukb h ALA 141 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ukb h ALA 141 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ukb h ALA 141 CO 0.01 0.47 -0.09 0.28 0.00 0.00 0.00 179.25 179.92 1ukb h VAL 142 N 0.41 0.84 0.00 0.00 2.07 -0.76 -2.22 116.25 116.59 1ukb h VAL 142 Ca 0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1ukb h VAL 142 Cb 1.00 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ukb h VAL 142 CO 0.09 0.04 -0.14 -0.50 0.02 0.00 0.00 177.57 177.08 1ukb h TRP 143 N -0.34 0.00 -0.51 1.57 6.55 -1.06 -2.95 115.95 119.21 1ukb h TRP 143 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1ukb h TRP 143 Cb 0.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1ukb h TRP 143 CO -0.04 0.14 0.00 0.41 -1.05 0.00 0.00 178.44 177.90 1ukb n GLY 144 N 0.14 1.93 3.67 1.49 0.00 -0.13 -4.84 105.19 107.46 1ukb n GLY 144 Ca 0.00 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 1ukb n GLY 144 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ukb n TYR 145 N 0.89 2.08 -4.90 1.61 9.36 -0.86 -4.99 117.16 120.36 1ukb n TYR 145 Ca 0.19 0.54 -0.27 0.00 3.32 0.00 0.00 57.90 61.68 1ukb n TYR 145 Cb 0.63 -2.40 -0.16 0.00 -0.63 0.00 0.00 39.34 36.78 1ukb n TYR 145 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1ukb s THR 146 N -0.74 1.51 0.24 2.97 2.01 -1.26 -4.90 115.64 115.47 1ukb s THR 146 Ca 0.60 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 1ukb s THR 146 Cb -0.62 -1.29 -0.12 0.00 0.01 0.00 0.00 72.50 70.48 1ukb s THR 146 CO 0.58 0.43 1.68 -2.65 -0.69 0.00 0.00 174.62 173.97 1ukb n PRO 147 N 3.04 2.75 0.00 4.92 -0.02 -1.26 -4.77 135.00 139.65 1ukb n PRO 147 Ca -0.17 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ukb n PRO 147 Cb 0.53 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1ukb n PRO 147 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ukb n SER 148 N 3.27 0.00 0.11 2.55 3.41 -1.26 -4.96 113.62 116.74 1ukb n SER 148 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1ukb n SER 148 Cb 0.36 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.67 1ukb n SER 148 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1ukb h ILE 149 N 1.43 1.19 -0.28 -1.33 3.07 -1.94 -1.16 117.51 118.49 1ukb h ILE 149 Ca 0.00 -0.86 -0.18 0.00 1.55 0.00 0.00 64.86 65.37 1ukb h ILE 149 Cb 0.00 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 1ukb h ILE 149 CO 0.00 0.27 -0.54 -0.33 -1.05 0.00 0.00 178.15 176.49 1ukb h GLU 150 N 0.24 0.87 -0.32 0.16 4.39 -1.95 -0.64 114.58 117.32 1ukb h GLU 150 Ca 0.05 -0.56 -0.10 0.00 0.34 0.00 0.00 59.36 59.09 1ukb h GLU 150 Cb 0.42 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ukb h GLU 150 CO 0.03 1.19 -0.22 -0.91 -1.16 0.00 0.00 179.01 177.93 1ukb h ASN 151 N 0.65 0.62 -0.34 1.42 2.35 -1.79 -1.67 115.58 116.84 1ukb h ASN 151 Ca 0.01 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1ukb h ASN 151 Cb 1.16 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 1ukb h ASN 151 CO 0.12 0.84 -0.44 -0.03 -1.65 0.00 0.00 177.43 176.27 1ukb h MET 152 N 0.55 0.91 -0.94 0.81 4.05 -1.15 -2.19 114.93 116.96 1ukb h MET 152 Ca 0.08 -0.51 0.01 0.00 -0.28 0.00 0.00 59.70 59.00 1ukb h MET 152 Cb 0.68 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.46 1ukb h MET 152 CO 0.05 1.16 0.62 -0.09 0.23 0.00 0.00 176.91 178.88 1ukb h ARG 153 N 0.73 1.23 -0.75 0.39 2.43 -0.85 0.49 114.38 118.06 1ukb h ARG 153 Ca 0.05 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1ukb h ARG 153 Cb 1.04 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1ukb h ARG 153 CO 0.10 0.82 0.28 -0.97 -1.51 0.00 0.00 179.97 178.69 1ukb h ASN 154 N 1.27 1.04 -0.56 -3.80 -1.24 -1.15 -0.37 115.58 110.78 1ukb h ASN 154 Ca 0.35 -0.18 -0.11 0.00 0.71 0.00 0.00 56.30 57.07 1ukb h ASN 154 Cb -0.14 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.62 1ukb h ASN 154 CO -0.08 0.94 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.87 1ukb h LEU 155 N 1.08 1.03 -1.02 0.34 3.38 -0.69 -0.75 115.31 118.68 1ukb h LEU 155 Ca 0.25 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1ukb h LEU 155 Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ukb h LEU 155 CO -0.02 1.12 0.13 -0.07 0.09 0.00 0.00 178.44 179.69 1ukb h LEU 156 N 0.92 0.78 -0.87 1.67 3.38 -0.61 -0.73 115.31 119.86 1ukb h LEU 156 Ca 0.15 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ukb h LEU 156 Cb 0.62 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ukb h LEU 156 CO 0.04 0.77 0.08 0.44 0.09 0.00 0.00 178.44 179.86 1ukb h ASP 157 N 0.81 0.88 -0.13 -0.43 3.32 -0.67 -2.23 116.42 117.97 1ukb h ASP 157 Ca 0.18 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1ukb h ASP 157 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1ukb h ASP 157 CO -0.00 0.89 -0.18 0.40 -1.72 0.00 0.00 179.24 178.63 1ukb h ILE 158 N 0.87 1.25 -0.03 0.35 2.04 -0.32 -3.21 117.51 118.46 1ukb h ILE 158 Ca 0.18 -1.15 -0.18 0.00 1.00 0.00 0.00 64.86 64.70 1ukb h ILE 158 Cb 0.40 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1ukb h ILE 158 CO 0.01 0.37 -0.78 -0.26 0.00 0.00 0.00 178.15 177.50 1ukb h PHE 159 N 0.48 0.38 -2.80 1.37 -1.00 -0.74 -3.38 116.94 111.25 1ukb h PHE 159 Ca 0.08 -0.18 -0.61 0.00 2.81 0.00 0.00 57.97 60.07 1ukb h PHE 159 Cb 0.59 -0.05 -0.12 0.00 3.61 0.00 0.00 35.95 39.97 1ukb h PHE 159 CO 0.02 0.94 -0.69 0.00 -1.61 0.00 0.00 178.31 176.98 1ukb s ALA 160 N -3.45 3.07 -0.12 2.45 0.00 -0.88 -0.64 121.76 122.19 1ukb s ALA 160 Ca -0.04 -1.47 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 1ukb s ALA 160 Cb 0.11 -0.82 -0.27 0.00 0.00 0.00 0.00 23.12 22.14 1ukb s ALA 160 CO 0.83 0.43 0.82 -0.92 0.00 0.00 0.00 175.76 176.91 1ukb h TYR 161 N 2.64 0.10 -2.68 0.00 3.20 -1.87 -3.42 116.97 114.94 1ukb h TYR 161 Ca -0.46 -0.07 -0.67 0.00 3.14 0.00 0.00 58.73 60.67 1ukb h TYR 161 Cb 1.21 -0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.31 1ukb h TYR 161 CO 0.65 1.03 0.51 0.34 -1.64 0.00 0.00 178.16 179.05 1ukb s ASP 162 N -6.32 6.34 0.34 -2.11 2.15 -1.26 -4.89 116.67 110.91 1ukb s ASP 162 Ca -0.18 -1.50 0.25 0.00 0.43 0.00 0.00 52.55 51.55 1ukb s ASP 162 Cb -0.02 -2.37 1.20 0.00 -0.30 0.00 0.00 42.92 41.43 1ukb s ASP 162 CO 0.71 -1.21 1.75 0.03 -0.17 0.00 0.00 175.17 176.29 1ukb h ARG 163 N 9.17 0.00 0.00 4.34 3.08 -1.93 -2.07 114.38 126.97 1ukb h ARG 163 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ukb h ARG 163 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1ukb h ARG 163 CO 1.12 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.68 1ukb h SER 164 N 0.00 0.00 1.59 7.04 4.64 -1.99 0.34 113.55 125.18 1ukb h SER 164 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukb h SER 164 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ukb h SER 164 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 1ukb h LEU 165 N 0.00 0.00 -8.14 5.97 3.38 -1.80 -3.41 115.31 111.32 1ukb h LEU 165 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1ukb h LEU 165 Cb 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 1ukb h LEU 165 CO 0.00 0.00 0.78 -0.69 0.09 0.00 0.00 178.44 178.62 1ukb s VAL 166 N -3.14 4.40 0.38 1.22 1.01 0.11 -4.96 120.40 119.43 1ukb s VAL 166 Ca 0.10 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ukb s VAL 166 Cb 0.10 -4.77 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 1ukb s VAL 166 CO 0.61 -1.55 0.54 0.42 0.00 0.00 0.00 175.10 175.12 1ukb s THR 167 N 3.73 3.86 0.32 3.92 -4.23 -1.26 -4.98 115.64 117.00 1ukb s THR 167 Ca 0.29 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1ukb s THR 167 Cb -0.10 -3.35 0.21 0.00 1.34 0.00 0.00 72.50 70.59 1ukb s THR 167 CO 0.01 -0.16 1.92 0.44 -0.54 0.00 0.00 174.62 176.28 1ukb h ASP 168 N 0.72 0.71 -0.28 3.99 3.32 -1.99 -1.66 116.42 121.23 1ukb h ASP 168 Ca -0.45 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 1ukb h ASP 168 Cb 1.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1ukb h ASP 168 CO 0.53 0.62 0.04 -0.08 -1.72 0.00 0.00 179.24 178.63 1ukb h GLU 169 N 0.78 0.48 -0.52 3.56 4.81 -1.98 -0.62 114.58 121.09 1ukb h GLU 169 Ca 0.19 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ukb h GLU 169 Cb 0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ukb h GLU 169 CO -0.02 0.59 0.23 1.25 -0.73 0.00 0.00 179.01 180.33 1ukb h LEU 170 N 0.29 0.69 -0.83 1.64 5.85 -1.85 1.00 115.31 122.10 1ukb h LEU 170 Ca 0.09 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ukb h LEU 170 Cb 0.35 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ukb h LEU 170 CO 0.01 0.65 0.42 0.00 -0.34 0.00 0.00 178.44 179.18 1ukb h ALA 171 N 1.07 1.06 -0.08 1.25 0.00 -1.22 -0.62 119.26 120.72 1ukb h ALA 171 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ukb h ALA 171 Cb 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ukb h ALA 171 CO -0.02 0.61 0.03 -0.09 0.00 0.00 0.00 179.25 179.78 1ukb h ARG 172 N 1.17 0.13 -0.75 0.00 2.43 -0.66 -0.22 114.38 116.47 1ukb h ARG 172 Ca 0.29 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1ukb h ARG 172 Cb 0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1ukb h ARG 172 CO -0.04 0.27 0.33 -0.07 -1.51 0.00 0.00 179.97 178.95 1ukb h LEU 173 N -0.04 1.01 -0.51 3.80 3.38 -0.55 -0.70 115.31 121.69 1ukb h LEU 173 Ca 0.03 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1ukb h LEU 173 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ukb h LEU 173 CO -0.00 0.88 -0.65 0.03 0.09 0.00 0.00 178.44 178.79 1ukb h ARG 174 N 1.07 0.00 -0.22 1.13 2.47 -1.07 -1.79 114.38 115.97 1ukb h ARG 174 Ca 0.25 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.94 1ukb h ARG 174 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1ukb h ARG 174 CO -0.03 0.65 0.02 -0.92 0.56 0.00 0.00 179.97 180.25 1ukb h TYR 175 N 0.00 0.40 -0.97 3.04 3.20 -0.66 -1.51 116.97 120.47 1ukb h TYR 175 Ca -0.01 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ukb h TYR 175 Cb 1.26 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 1ukb h TYR 175 CO 0.00 0.53 0.62 0.93 -1.64 0.00 0.00 178.16 178.60 1ukb h GLU 176 N 0.16 1.28 -0.45 1.82 5.08 -1.00 -1.54 114.58 119.93 1ukb h GLU 176 Ca 0.06 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ukb h GLU 176 Cb 0.36 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1ukb h GLU 176 CO 0.01 0.86 0.07 0.00 -1.00 0.00 0.00 179.01 178.95 1ukb h ALA 177 N 1.37 1.28 0.00 3.43 0.00 -1.09 -2.73 119.26 121.52 1ukb h ALA 177 Ca 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ukb h ALA 177 Cb -0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ukb h ALA 177 CO -0.07 0.50 -0.01 0.66 0.00 0.00 0.00 179.25 180.32 1ukb h SER 178 N 0.67 0.00 -0.54 0.00 4.64 -0.25 -3.11 113.55 114.96 1ukb h SER 178 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ukb h SER 178 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ukb h SER 178 CO 0.00 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1ukb n ILE 179 N -3.11 1.65 -1.33 0.95 -5.35 -1.02 -3.37 119.36 107.79 1ukb n ILE 179 Ca 0.01 -1.24 -0.34 0.00 -0.27 0.00 0.00 62.75 60.91 1ukb n ILE 179 Cb 0.33 0.19 0.10 0.00 -1.74 0.00 0.00 39.64 38.51 1ukb n ILE 179 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1ukb s GLN 180 N -1.73 2.00 -0.39 6.28 -0.21 -1.17 -4.79 119.66 119.65 1ukb s GLN 180 Ca 0.44 1.70 -0.44 0.00 0.02 0.00 0.00 55.36 57.08 1ukb s GLN 180 Cb 0.28 -1.82 -0.18 0.00 1.00 0.00 0.00 33.01 32.29 1ukb s GLN 180 CO 0.22 -1.93 1.64 -2.30 -2.12 0.00 0.00 175.29 170.80 1ukb n PRO 181 N -2.95 0.50 -0.05 2.91 -0.02 -1.26 -1.38 135.00 132.75 1ukb n PRO 181 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1ukb n PRO 181 Cb 0.51 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1ukb n PRO 181 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukb n GLY 182 N 3.99 2.37 0.43 -1.23 0.00 -1.26 -4.91 105.19 104.58 1ukb n GLY 182 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 1ukb n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ukb h PHE 183 N 0.00 -0.97 -0.43 1.61 -1.00 -1.50 -2.55 116.94 112.10 1ukb h PHE 183 Ca 0.00 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1ukb h PHE 183 Cb 0.00 0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1ukb h PHE 183 CO 0.00 -0.59 0.01 0.37 -1.61 0.00 0.00 178.31 176.49 1ukb h GLN 184 N -1.16 0.69 -0.27 1.51 5.75 -1.75 -0.82 115.11 119.06 1ukb h GLN 184 Ca -0.11 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 1ukb h GLN 184 Cb 0.82 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1ukb h GLN 184 CO 0.18 0.70 0.16 0.93 -2.65 0.00 0.00 178.83 178.14 1ukb h GLU 185 N 0.65 0.31 -0.01 1.69 3.07 -1.91 0.43 114.58 118.81 1ukb h GLU 185 Ca 0.13 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.80 1ukb h GLU 185 Cb 0.39 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1ukb h GLU 185 CO 0.01 0.21 -0.80 0.66 -1.40 0.00 0.00 179.01 177.70 1ukb h SER 186 N 0.32 0.20 0.00 1.42 4.64 -1.28 -3.13 113.55 115.72 1ukb h SER 186 Ca 0.10 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ukb h SER 186 Cb -0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ukb h SER 186 CO -0.05 0.91 -0.00 0.15 -0.87 0.00 0.00 176.83 176.97 1ukb h PHE 187 N 0.10 -0.00 0.00 4.77 3.57 -0.86 -2.21 116.94 122.30 1ukb h PHE 187 Ca -0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ukb h PHE 187 Cb 1.39 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1ukb h PHE 187 CO 0.02 0.36 -0.06 0.66 -2.23 0.00 0.00 178.31 177.07 1ukb h SER 188 N -0.37 0.00 0.04 0.41 4.64 -1.00 -1.34 113.55 115.93 1ukb h SER 188 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukb h SER 188 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ukb h SER 188 CO 0.00 0.06 -0.21 -1.54 -0.87 0.00 0.00 176.83 174.27 1ukb n SER 189 N -3.75 1.95 -0.01 4.97 3.41 -1.18 -4.35 113.62 114.65 1ukb n SER 189 Ca -0.02 -1.50 -0.16 0.00 -0.26 0.00 0.00 58.87 56.93 1ukb n SER 189 Cb 0.15 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1ukb n SER 189 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1ukb h MET 190 N 2.73 0.21 -2.08 4.33 -1.53 -0.59 -3.40 114.93 114.60 1ukb h MET 190 Ca 0.00 -0.26 -0.55 0.00 -3.44 0.00 0.00 59.70 55.45 1ukb h MET 190 Cb 0.71 0.08 -0.41 0.00 -0.55 0.00 0.00 31.60 31.43 1ukb h MET 190 CO 0.00 1.02 -0.84 1.19 0.14 0.00 0.00 176.91 178.43 1ukb n PHE 191 N -4.40 2.74 -1.44 1.39 3.72 -1.25 -5.10 117.46 113.11 1ukb n PHE 191 Ca -0.11 -3.82 -0.33 0.00 -0.05 0.00 0.00 57.45 53.14 1ukb n PHE 191 Cb 0.59 -0.43 0.08 0.00 -0.94 0.00 0.00 39.48 38.78 1ukb n PHE 191 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ukb s PRO 192 N -3.16 2.28 0.44 -1.08 0.04 -1.26 -4.73 135.00 127.53 1ukb s PRO 192 Ca 0.45 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.73 1ukb s PRO 192 Cb 0.32 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.90 1ukb s PRO 192 CO -0.12 -1.67 1.34 -1.21 0.04 0.00 0.00 177.00 175.38 1ukb s GLU 193 N -4.23 3.79 -0.01 4.56 0.41 -1.26 -3.76 118.70 118.19 1ukb s GLU 193 Ca 0.68 2.22 -0.30 0.00 -0.41 0.00 0.00 54.97 57.16 1ukb s GLU 193 Cb -0.23 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.43 1ukb s GLU 193 CO 0.47 -0.66 1.07 -1.25 -0.49 0.00 0.00 175.26 174.40 1ukb s PRO 194 N -2.39 4.47 0.09 0.39 0.04 -1.26 -5.10 135.00 131.24 1ukb s PRO 194 Ca 0.60 1.54 0.22 0.00 0.04 0.00 0.00 61.00 63.40 1ukb s PRO 194 Cb -0.39 -3.46 0.90 0.00 0.04 0.00 0.00 34.50 31.58 1ukb s PRO 194 CO 0.50 -0.21 1.69 0.54 0.04 0.00 0.00 177.00 179.57 1ukb n ARG 195 N 4.30 0.08 0.25 4.56 1.74 -1.25 -2.87 116.66 123.47 1ukb n ARG 195 Ca 0.08 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.45 1ukb n ARG 195 Cb 0.49 -1.63 0.61 0.00 -1.02 0.00 0.00 32.46 30.91 1ukb n ARG 195 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1ukb h GLN 196 N 0.00 0.00 -0.87 5.56 5.75 -1.97 -1.88 115.11 121.71 1ukb h GLN 196 Ca 0.00 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1ukb h GLN 196 Cb 0.42 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 1ukb h GLN 196 CO 0.00 0.04 0.56 0.00 -2.65 0.00 0.00 178.83 176.79 1ukb h ARG 197 N 0.00 0.88 0.00 1.69 3.08 -1.90 -1.53 114.38 116.60 1ukb h ARG 197 Ca 0.00 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1ukb h ARG 197 Cb 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1ukb h ARG 197 CO 0.01 0.58 -0.84 -1.49 -1.07 0.00 0.00 179.97 177.15 1ukb h TRP 198 N 0.91 0.00 -0.25 3.04 -0.00 -1.57 0.04 115.95 118.12 1ukb h TRP 198 Ca 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.22 1ukb h TRP 198 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1ukb h TRP 198 CO -0.00 0.83 -0.05 0.82 -0.00 0.00 0.00 178.44 180.03 1ukb h ILE 199 N 0.00 1.28 -0.60 1.49 2.04 -1.36 -1.67 117.51 118.70 1ukb h ILE 199 Ca -0.01 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 1ukb h ILE 199 Cb 1.64 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1ukb h ILE 199 CO 0.11 0.33 -0.00 0.44 0.00 0.00 0.00 178.15 179.02 1ukb h ASP 200 N 0.22 1.03 0.03 1.72 3.32 -1.25 -2.30 116.42 119.19 1ukb h ASP 200 Ca 0.06 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1ukb h ASP 200 Cb 0.51 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1ukb h ASP 200 CO 0.02 1.08 -0.27 0.00 -1.72 0.00 0.00 179.24 178.35 1ukb h ALA 201 N 1.02 1.15 0.00 3.45 0.00 -0.91 -2.82 119.26 121.16 1ukb h ALA 201 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ukb h ALA 201 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ukb h ALA 201 CO 0.03 0.54 -0.18 1.28 0.00 0.00 0.00 179.25 180.92 1ukb n LEU 202 N -4.12 0.65 -4.87 0.00 4.77 -0.63 -4.77 117.00 108.02 1ukb n LEU 202 Ca -0.01 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 1ukb n LEU 202 Cb 0.41 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1ukb n LEU 202 CO 0.41 -0.11 0.73 0.00 -1.33 0.00 0.00 177.39 177.10 1ukb s ALA 203 N -3.10 3.00 0.16 -1.18 0.00 -0.88 -4.06 121.76 115.71 1ukb s ALA 203 Ca 0.10 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.00 1ukb s ALA 203 Cb 0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1ukb s ALA 203 CO 0.62 -0.87 -0.24 -1.12 0.00 0.00 0.00 175.76 174.15 1ukb s SER 204 N -4.23 3.46 0.59 0.00 0.01 0.32 -4.94 113.70 108.92 1ukb s SER 204 Ca 0.56 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 1ukb s SER 204 Cb -0.11 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 1ukb s SER 204 CO 0.53 0.15 1.14 -0.94 0.41 0.00 0.00 173.24 174.54 1ukb s SER 205 N -2.35 5.39 0.24 2.44 1.04 -1.26 -4.67 113.70 114.52 1ukb s SER 205 Ca 0.18 2.17 -0.05 0.00 0.48 0.00 0.00 55.95 58.73 1ukb s SER 205 Cb -0.09 -2.58 0.36 0.00 0.10 0.00 0.00 66.02 63.81 1ukb s SER 205 CO 0.08 -1.45 1.82 0.44 0.98 0.00 0.00 173.24 175.12 1ukb h ASP 206 N 0.76 0.71 -0.17 7.02 3.32 -1.99 -0.48 116.42 125.59 1ukb h ASP 206 Ca -0.49 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.63 1ukb h ASP 206 Cb 1.27 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1ukb h ASP 206 CO 0.55 0.43 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.12 1ukb h GLU 207 N 0.83 -0.02 -0.29 3.56 3.07 -2.00 -1.64 114.58 118.09 1ukb h GLU 207 Ca 0.38 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 1ukb h GLU 207 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1ukb h GLU 207 CO -0.22 -0.01 0.01 -0.44 -1.40 0.00 0.00 179.01 176.95 1ukb h ASP 208 N -0.02 0.50 -0.71 1.42 3.32 -1.76 -3.06 116.42 116.12 1ukb h ASP 208 Ca 0.09 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1ukb h ASP 208 Cb 0.15 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1ukb h ASP 208 CO -0.19 0.68 0.47 0.40 -1.72 0.00 0.00 179.24 178.88 1ukb h ILE 209 N 0.31 1.06 0.00 0.35 2.04 -0.93 -0.82 117.51 119.51 1ukb h ILE 209 Ca 0.08 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ukb h ILE 209 Cb 0.41 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ukb h ILE 209 CO 0.01 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 1ukb h LYS 210 N 0.80 0.00 0.00 2.37 1.57 -1.19 -2.24 116.57 117.88 1ukb h LYS 210 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ukb h LYS 210 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ukb h LYS 210 CO -0.09 0.02 -0.14 0.25 -0.57 0.00 0.00 179.45 178.92 1ukb n THR 211 N -3.30 0.18 -1.74 -0.16 -2.24 -0.31 -4.72 114.28 101.99 1ukb n THR 211 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1ukb n THR 211 Cb 0.15 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1ukb n THR 211 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ukb s LEU 212 N -3.50 4.41 0.00 3.22 1.43 -0.84 -4.88 118.68 118.52 1ukb s LEU 212 Ca 0.12 2.59 0.25 0.00 -1.03 0.00 0.00 54.13 56.06 1ukb s LEU 212 Cb 0.17 -3.53 0.51 0.00 0.03 0.00 0.00 46.19 43.36 1ukb s LEU 212 CO 0.59 -1.03 1.41 -0.81 0.23 0.00 0.00 176.35 176.74 1ukb n PRO 213 N 7.41 0.58 -2.16 1.29 -0.04 -1.26 -4.46 135.00 136.36 1ukb n PRO 213 Ca 0.19 -0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 1ukb n PRO 213 Cb 0.41 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1ukb n PRO 213 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ukb s ASN 214 N -2.68 6.54 0.16 3.54 -0.87 -1.26 -4.84 114.94 115.54 1ukb s ASN 214 Ca 0.19 2.56 -0.31 0.00 -1.57 0.00 0.00 52.86 53.72 1ukb s ASN 214 Cb 0.18 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 1ukb s ASN 214 CO 0.61 -0.68 1.41 -1.61 -2.57 0.00 0.00 177.10 174.25 1ukb s GLU 215 N -2.09 4.31 0.01 -0.60 0.41 -1.26 -4.46 118.70 115.02 1ukb s GLU 215 Ca 0.54 2.15 0.03 0.00 -0.41 0.00 0.00 54.97 57.28 1ukb s GLU 215 Cb -0.36 -3.20 -0.01 0.00 -1.78 0.00 0.00 34.13 28.77 1ukb s GLU 215 CO 0.47 -0.42 -0.09 0.99 -0.49 0.00 0.00 175.26 175.72 1ukb s THR 216 N 0.73 0.70 -0.23 3.63 2.01 0.87 -2.12 115.64 121.24 1ukb s THR 216 Ca 0.63 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1ukb s THR 216 Cb -0.39 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.54 1ukb s THR 216 CO 0.34 0.04 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.95 1ukb s LEU 217 N -0.63 2.94 -0.22 4.42 2.96 0.23 -1.54 118.68 126.84 1ukb s LEU 217 Ca 0.00 -1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 52.68 1ukb s LEU 217 Cb -0.05 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1ukb s LEU 217 CO 0.00 -0.13 0.17 -0.63 -1.32 0.00 0.00 176.35 174.44 1ukb s ILE 218 N 1.19 5.36 -0.02 6.68 1.01 0.57 -0.80 121.20 135.19 1ukb s ILE 218 Ca -0.04 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.92 1ukb s ILE 218 Cb -0.18 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1ukb s ILE 218 CO -0.08 0.37 -0.24 -0.63 0.00 0.00 0.00 174.94 174.36 1ukb s ILE 219 N 0.85 1.93 -0.15 2.92 1.01 0.47 -0.14 121.20 128.09 1ukb s ILE 219 Ca 0.09 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 1ukb s ILE 219 Cb -0.13 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1ukb s ILE 219 CO 0.03 0.55 0.47 -2.28 0.00 0.00 0.00 174.94 173.70 1ukb s HIS 220 N -0.57 -0.49 -0.12 3.97 2.46 -0.71 -0.80 115.29 119.03 1ukb s HIS 220 Ca 0.09 1.13 -0.20 0.00 0.47 0.00 0.00 55.06 56.55 1ukb s HIS 220 Cb -0.09 0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.50 1ukb s HIS 220 CO -0.01 -0.30 0.55 0.20 -2.47 0.00 0.00 174.74 172.71 1ukb s GLY 221 N -0.07 2.39 0.25 1.59 0.00 -1.24 -0.95 107.32 109.29 1ukb s GLY 221 Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 1ukb s GLY 221 CO 0.02 0.95 1.70 -0.09 0.00 0.00 0.00 173.10 175.68 1ukb h ARG 222 N 6.87 0.33 -0.57 2.90 2.43 -0.73 -1.04 114.38 124.57 1ukb h ARG 222 Ca -0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1ukb h ARG 222 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ukb h ARG 222 CO 0.76 0.22 0.00 0.39 -1.51 0.00 0.00 179.97 179.82 1ukb n GLU 223 N -5.09 2.18 -1.66 0.20 4.71 -0.66 -4.79 120.64 115.53 1ukb n GLU 223 Ca 0.15 -1.22 -0.50 0.00 -0.01 0.00 0.00 57.16 55.58 1ukb n GLU 223 Cb 0.46 -1.53 -0.05 0.00 -1.01 0.00 0.00 31.44 29.30 1ukb n GLU 223 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1ukb n ASP 224 N 0.33 3.10 0.03 1.62 -0.08 -0.39 -4.73 116.55 116.42 1ukb n ASP 224 Ca 0.11 0.91 0.12 0.00 -1.51 0.00 0.00 54.79 54.41 1ukb n ASP 224 Cb 0.46 -1.32 0.17 0.00 2.34 0.00 0.00 41.12 42.76 1ukb n ASP 224 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ukb n GLN 225 N 6.66 0.16 -0.09 -0.67 6.02 -1.26 -4.36 117.38 123.84 1ukb n GLN 225 Ca 0.26 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 57.05 1ukb n GLN 225 Cb 0.26 -1.58 -0.12 0.00 1.02 0.00 0.00 30.24 29.82 1ukb n GLN 225 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ukb n VAL 226 N -1.81 1.58 -4.47 5.09 0.31 -1.26 -3.87 118.33 113.89 1ukb n VAL 226 Ca 0.04 -0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 1ukb n VAL 226 Cb 0.39 -1.97 -0.16 0.00 -0.91 0.00 0.00 33.84 31.19 1ukb n VAL 226 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ukb s VAL 227 N -2.41 1.84 0.47 2.52 1.01 -1.26 -4.30 120.40 118.27 1ukb s VAL 227 Ca -0.29 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 1ukb s VAL 227 Cb 0.07 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1ukb s VAL 227 CO 0.62 0.51 1.28 -2.16 0.00 0.00 0.00 175.10 175.34 1ukb s PRO 228 N 1.00 3.64 0.46 2.72 0.04 -1.26 -4.70 135.00 136.89 1ukb s PRO 228 Ca -0.04 2.07 0.16 0.00 0.04 0.00 0.00 61.00 63.23 1ukb s PRO 228 Cb -0.15 -2.49 1.12 0.00 0.04 0.00 0.00 34.50 33.02 1ukb s PRO 228 CO -0.04 -0.73 1.99 1.25 0.04 0.00 0.00 177.00 179.50 1ukb h LEU 229 N 2.10 0.28 -1.86 -3.56 5.85 -1.86 -1.11 115.31 115.14 1ukb h LEU 229 Ca -0.50 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.38 1ukb h LEU 229 Cb 1.26 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1ukb h LEU 229 CO 0.60 0.16 0.42 0.77 -0.34 0.00 0.00 178.44 180.06 1ukb h SER 230 N 0.31 0.14 -0.28 1.25 4.64 -1.99 -0.45 113.55 117.17 1ukb h SER 230 Ca 0.26 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1ukb h SER 230 Cb 0.63 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1ukb h SER 230 CO -0.06 0.07 -0.04 -1.28 -0.87 0.00 0.00 176.83 174.66 1ukb h SER 231 N 0.15 0.51 0.33 4.97 0.87 -1.56 -1.66 113.55 117.14 1ukb h SER 231 Ca 0.29 -0.34 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 1ukb h SER 231 Cb 0.94 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1ukb h SER 231 CO -0.04 0.73 -0.51 0.28 -0.53 0.00 0.00 176.83 176.76 1ukb h SER 232 N 0.28 0.23 -0.60 6.23 0.02 -1.34 -1.89 113.55 116.48 1ukb h SER 232 Ca 0.07 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1ukb h SER 232 Cb 0.49 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1ukb h SER 232 CO 0.02 0.70 0.21 -0.07 -1.14 0.00 0.00 176.83 176.55 1ukb h LEU 233 N 0.16 0.89 -0.40 5.07 3.38 -1.02 -0.03 115.31 123.37 1ukb h LEU 233 Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1ukb h LEU 233 Cb 0.96 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1ukb h LEU 233 CO 0.08 0.83 0.09 -0.09 0.09 0.00 0.00 178.44 179.44 1ukb h ARG 234 N 0.93 0.64 -0.46 1.13 9.65 -0.84 -2.19 114.38 123.23 1ukb h ARG 234 Ca 0.21 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1ukb h ARG 234 Cb 0.25 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1ukb h ARG 234 CO -0.01 0.66 0.17 -0.07 2.80 0.00 0.00 179.97 183.52 1ukb h LEU 235 N 0.50 0.61 -1.80 3.80 3.38 -0.90 -1.20 115.31 119.69 1ukb h LEU 235 Ca 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ukb h LEU 235 Cb 0.32 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ukb h LEU 235 CO 0.00 0.57 -0.03 1.23 0.09 0.00 0.00 178.44 180.30 1ukb h GLY 236 N 0.83 0.00 0.66 0.83 0.00 -0.47 -1.47 103.07 103.44 1ukb h GLY 236 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.25 1ukb h GLY 236 CO -0.01 0.00 -1.78 1.18 0.00 0.00 0.00 176.54 175.92 1ukb n GLU 237 N -3.17 0.64 0.04 4.80 -0.58 -0.65 -4.48 120.64 117.25 1ukb n GLU 237 Ca -0.00 0.15 -0.21 0.00 -0.42 0.00 0.00 57.16 56.68 1ukb n GLU 237 Cb 0.26 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.28 1ukb n GLU 237 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ukb h LEU 238 N 0.00 0.45 -9.08 -4.62 3.38 -0.96 -3.45 115.31 101.03 1ukb h LEU 238 Ca -0.28 -0.91 -0.58 0.00 0.09 0.00 0.00 57.88 56.20 1ukb h LEU 238 Cb 1.81 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1ukb h LEU 238 CO 0.05 1.49 0.73 -0.63 0.09 0.00 0.00 178.44 180.17 1ukb s ILE 239 N -2.45 4.71 0.07 1.22 1.01 -0.58 -4.18 121.20 121.00 1ukb s ILE 239 Ca -0.16 1.94 -0.34 0.00 0.00 0.00 0.00 60.65 62.09 1ukb s ILE 239 Cb 0.02 -4.27 -0.19 0.00 0.01 0.00 0.00 42.46 38.03 1ukb s ILE 239 CO 0.81 -0.15 1.61 -0.78 0.00 0.00 0.00 174.94 176.42 1ukb h ASP 240 N 7.48 -0.93 -0.91 3.58 3.58 -1.84 -3.22 116.42 124.16 1ukb h ASP 240 Ca -0.20 0.04 -0.73 0.00 0.42 0.00 0.00 57.03 56.56 1ukb h ASP 240 Cb 1.07 0.25 -0.09 0.00 1.72 0.00 0.00 39.33 42.28 1ukb h ASP 240 CO 0.96 -0.63 2.72 0.54 -2.88 0.00 0.00 179.24 179.95 1ukb n ARG 241 N -5.54 4.41 -4.36 0.28 1.74 -1.26 -4.93 116.66 106.99 1ukb n ARG 241 Ca -0.14 -3.19 -0.27 0.00 -0.77 0.00 0.00 57.85 53.48 1ukb n ARG 241 Cb 0.42 -2.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.09 1ukb n ARG 241 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ukb s ALA 242 N -0.45 2.71 0.03 7.54 0.00 -1.22 -0.09 121.76 130.28 1ukb s ALA 242 Ca 0.58 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1ukb s ALA 242 Cb 0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ukb s ALA 242 CO -0.09 0.46 -0.15 -0.65 0.00 0.00 0.00 175.76 175.33 1ukb s GLN 243 N -2.67 1.06 -0.10 0.00 -0.21 -0.59 -4.97 119.66 112.19 1ukb s GLN 243 Ca 0.22 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1ukb s GLN 243 Cb -0.09 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.85 1ukb s GLN 243 CO 0.12 0.27 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.19 1ukb s LEU 244 N -1.00 1.97 -0.17 2.90 2.96 -1.26 -0.31 118.68 123.77 1ukb s LEU 244 Ca 0.03 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1ukb s LEU 244 Cb -0.08 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.38 1ukb s LEU 244 CO 0.01 0.11 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.76 1ukb s HIS 245 N 0.52 2.15 -0.21 5.38 5.65 0.81 -4.97 115.29 124.62 1ukb s HIS 245 Ca -0.16 -1.31 -0.06 0.00 0.25 0.00 0.00 55.06 53.78 1ukb s HIS 245 Cb -0.17 -1.55 -0.03 0.00 -1.18 0.00 0.00 32.58 29.65 1ukb s HIS 245 CO 0.06 -0.68 0.04 0.08 -0.65 0.00 0.00 174.74 173.59 1ukb s VAL 246 N 1.49 4.32 -0.29 0.89 1.01 -1.26 -1.73 120.40 124.83 1ukb s VAL 246 Ca 0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1ukb s VAL 246 Cb -0.14 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1ukb s VAL 246 CO -0.09 0.41 0.30 -0.36 0.00 0.00 0.00 175.10 175.36 1ukb s PHE 247 N 1.00 3.23 0.64 5.22 0.08 -0.12 -4.89 117.98 123.13 1ukb s PHE 247 Ca 0.03 0.18 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 1ukb s PHE 247 Cb -0.14 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1ukb s PHE 247 CO 0.02 -0.26 1.05 0.20 -0.10 0.00 0.00 175.22 176.13 1ukb s GLY 248 N 1.71 1.85 -1.25 4.36 0.00 -1.26 -0.54 107.32 112.18 1ukb s GLY 248 Ca 0.11 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1ukb s GLY 248 CO 0.11 0.47 0.81 0.54 0.00 0.00 0.00 173.10 175.02 1ukb n ARG 249 N -2.59 -5.16 -3.68 2.90 1.74 -1.26 -4.87 116.66 103.75 1ukb n ARG 249 Ca 0.08 0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 57.73 1ukb n ARG 249 Cb 0.53 -5.39 -0.08 0.00 -1.02 0.00 0.00 32.46 26.50 1ukb n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ukb n GLY 251 N 2.93 1.75 0.56 0.00 0.00 -1.26 -1.65 105.19 107.52 1ukb n GLY 251 Ca -0.14 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1ukb n GLY 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ukb n HIS 252 N 0.00 0.27 -2.26 1.61 -0.00 0.18 -3.65 115.22 111.38 1ukb n HIS 252 Ca 0.00 -0.14 -0.24 0.00 0.46 0.00 0.00 57.72 57.80 1ukb n HIS 252 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1ukb n HIS 252 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 1ukb n TRP 253 N 0.34 2.98 -0.30 1.57 -0.00 -1.20 -4.92 117.44 115.91 1ukb n TRP 253 Ca 0.15 -2.63 0.13 0.00 -0.00 0.00 0.00 57.50 55.15 1ukb n TRP 253 Cb 0.31 -0.22 0.29 0.00 -0.00 0.00 0.00 31.31 31.69 1ukb n TRP 253 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 1ukb h THR 254 N 2.47 0.26 0.00 5.87 2.02 -1.92 0.14 112.91 121.76 1ukb h THR 254 Ca 0.31 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1ukb h THR 254 Cb 1.25 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1ukb h THR 254 CO 0.78 0.03 0.00 0.06 0.37 0.00 0.00 175.52 176.76 1ukb h GLN 255 N 0.16 0.00 0.00 6.66 -0.00 -1.91 -0.34 115.11 119.68 1ukb h GLN 255 Ca 0.56 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.92 1ukb h GLN 255 Cb 1.13 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.56 1ukb h GLN 255 CO -0.70 0.00 -2.09 -0.89 -0.00 0.00 0.00 178.83 175.15 1ukb n ILE 256 N -3.04 1.10 0.08 1.86 2.08 0.13 -3.76 119.36 117.81 1ukb n ILE 256 Ca -0.02 -0.53 -0.10 0.00 0.56 0.00 0.00 62.75 62.67 1ukb n ILE 256 Cb 0.16 -0.93 -0.03 0.00 -0.75 0.00 0.00 39.64 38.08 1ukb n ILE 256 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ukb h GLU 257 N 0.00 0.22 -1.19 0.38 5.08 -0.70 -3.34 114.58 115.03 1ukb h GLU 257 Ca -0.43 -0.26 -0.45 0.00 -1.00 0.00 0.00 59.36 57.22 1ukb h GLU 257 Cb 1.80 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 30.72 1ukb h GLU 257 CO -0.03 1.00 -1.00 1.04 -1.00 0.00 0.00 179.01 179.02 1ukb n GLN 258 N -3.64 2.12 -0.18 2.33 1.13 -0.15 -4.99 117.38 114.00 1ukb n GLN 258 Ca -0.04 -3.78 -0.12 0.00 -1.94 0.00 0.00 57.00 51.12 1ukb n GLN 258 Cb 0.84 -1.68 -0.08 0.00 0.11 0.00 0.00 30.24 29.44 1ukb n GLN 258 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ukb h THR 259 N 2.88 0.03 -0.56 5.09 2.02 -1.65 0.17 112.91 120.88 1ukb h THR 259 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1ukb h THR 259 Cb 1.08 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1ukb h THR 259 CO 0.64 0.00 0.29 0.44 0.37 0.00 0.00 175.52 177.26 1ukb h ASP 260 N -0.31 0.72 -0.60 4.18 3.32 -1.93 0.23 116.42 122.03 1ukb h ASP 260 Ca 0.11 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ukb h ASP 260 Cb 0.57 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1ukb h ASP 260 CO -0.66 0.63 0.22 0.03 -1.72 0.00 0.00 179.24 177.75 1ukb h ARG 261 N 0.76 0.91 0.32 3.56 3.08 -1.91 -1.48 114.38 119.62 1ukb h ARG 261 Ca 0.20 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ukb h ARG 261 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ukb h ARG 261 CO -0.03 0.79 -0.15 0.35 -1.07 0.00 0.00 179.97 179.86 1ukb h PHE 262 N 0.84 -0.40 -0.89 3.04 3.57 -0.68 -1.60 116.94 120.82 1ukb h PHE 262 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1ukb h PHE 262 Cb 0.24 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1ukb h PHE 262 CO 0.01 -0.18 0.58 -0.91 -2.23 0.00 0.00 178.31 175.59 1ukb h ASN 263 N -0.54 0.98 0.02 0.41 2.35 -0.91 -1.15 115.58 116.73 1ukb h ASN 263 Ca -0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ukb h ASN 263 Cb 0.40 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1ukb h ASN 263 CO 0.07 0.69 -0.01 0.03 -1.65 0.00 0.00 177.43 176.56 1ukb h ARG 264 N 1.15 -0.03 -0.44 0.81 3.08 -1.18 -0.65 114.38 117.14 1ukb h ARG 264 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 1ukb h ARG 264 Cb -0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1ukb h ARG 264 CO -0.10 -0.02 0.26 1.25 -1.07 0.00 0.00 179.97 180.30 1ukb h LEU 265 N -0.03 0.52 -0.17 3.04 5.85 -0.97 -1.91 115.31 121.64 1ukb h LEU 265 Ca -0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1ukb h LEU 265 Cb 0.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ukb h LEU 265 CO 0.00 0.42 0.01 0.58 -0.34 0.00 0.00 178.44 179.11 1ukb h VAL 266 N 0.58 1.25 -0.54 1.05 2.07 -1.11 -1.17 116.25 118.38 1ukb h VAL 266 Ca 0.16 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1ukb h VAL 266 Cb -0.00 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1ukb h VAL 266 CO -0.03 0.25 0.31 0.58 0.02 0.00 0.00 177.57 178.70 1ukb h VAL 267 N 0.06 1.17 -0.19 2.57 2.07 -1.06 -1.16 116.25 119.72 1ukb h VAL 267 Ca 0.05 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1ukb h VAL 267 Cb 0.37 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ukb h VAL 267 CO 0.01 0.18 -0.25 -0.33 0.02 0.00 0.00 177.57 177.21 1ukb h GLU 268 N 0.72 0.35 -0.24 1.57 5.08 -1.33 0.14 114.58 120.88 1ukb h GLU 268 Ca 0.19 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1ukb h GLU 268 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ukb h GLU 268 CO -0.03 0.58 0.10 0.35 -1.00 0.00 0.00 179.01 179.01 1ukb h PHE 269 N 0.32 0.36 -0.06 4.33 3.57 -0.65 -2.70 116.94 122.11 1ukb h PHE 269 Ca 0.05 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1ukb h PHE 269 Cb 0.61 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1ukb h PHE 269 CO 0.01 0.39 -0.57 0.74 -2.23 0.00 0.00 178.31 176.65 1ukb h PHE 270 N 0.24 0.25 -0.05 0.41 0.04 -0.93 -3.05 116.94 113.84 1ukb h PHE 270 Ca 0.08 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1ukb h PHE 270 Cb 0.18 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ukb h PHE 270 CO -0.01 0.72 0.04 -0.91 -0.60 0.00 0.00 178.31 177.55 1ukb h ASN 271 N 0.15 0.00 -0.60 2.17 -0.26 -0.43 -1.96 115.58 114.65 1ukb h ASN 271 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1ukb h ASN 271 Cb 1.05 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.28 1ukb h ASN 271 CO 0.09 0.00 0.35 -0.33 -1.06 0.00 0.00 177.43 176.47 1ukb h GLU 272 N 0.00 0.84 0.00 0.81 5.08 -1.37 -3.51 114.58 116.44 1ukb h GLU 272 Ca 0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ukb h GLU 272 Cb 0.11 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ukb h GLU 272 CO -0.00 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.62