#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqr s PRO 3 N 0.00 1.73 -0.08 1.61 0.04 -1.26 -4.63 135.00 132.41 1iqr s PRO 3 Ca 0.00 -0.46 0.01 0.00 0.04 0.00 0.00 61.00 60.59 1iqr s PRO 3 Cb 0.00 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1iqr s PRO 3 CO 0.00 -1.56 -0.10 -0.51 0.04 0.00 0.00 177.00 174.87 1iqr s LEU 4 N -5.38 2.95 -0.16 -3.56 1.43 -0.35 -0.69 118.68 112.92 1iqr s LEU 4 Ca 0.65 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 1iqr s LEU 4 Cb -0.08 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1iqr s LEU 4 CO 0.47 0.30 0.34 -0.76 0.23 0.00 0.00 176.35 176.93 1iqr s LEU 5 N -0.45 4.23 -0.35 1.79 1.43 -0.57 -1.61 118.68 123.14 1iqr s LEU 5 Ca 0.06 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1iqr s LEU 5 Cb -0.12 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.68 1iqr s LEU 5 CO 0.02 0.05 0.16 -0.69 0.23 0.00 0.00 176.35 176.11 1iqr s VAL 6 N 0.67 4.20 -0.38 -1.59 1.01 -0.29 -0.55 120.40 123.47 1iqr s VAL 6 Ca 0.18 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1iqr s VAL 6 Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1iqr s VAL 6 CO 0.06 -0.19 0.49 0.86 0.00 0.00 0.00 175.10 176.31 1iqr s TRP 7 N 1.49 3.16 -0.06 5.22 -0.00 0.04 -0.58 118.94 128.21 1iqr s TRP 7 Ca 0.00 -0.05 -0.19 0.00 -0.00 0.00 0.00 56.10 55.86 1iqr s TRP 7 Cb -0.19 -2.94 -0.05 0.00 -0.00 0.00 0.00 33.47 30.29 1iqr s TRP 7 CO 0.05 -0.62 0.52 -1.01 -0.00 0.00 0.00 176.95 175.88 1iqr s HIS 8 N 2.33 3.60 0.00 5.86 3.76 0.28 -4.51 115.29 126.60 1iqr s HIS 8 Ca 0.16 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 1iqr s HIS 8 Cb -0.16 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 30.98 1iqr s HIS 8 CO 0.14 0.29 0.00 0.54 -0.85 0.00 0.00 174.74 174.86 1iqr n ARG 9 N 3.10 0.00 -1.12 1.40 3.00 -1.26 -4.49 116.66 117.28 1iqr n ARG 9 Ca -0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.58 1iqr n ARG 9 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.84 1iqr n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iqr n GLY 10 N 4.69 3.39 2.58 -0.13 0.00 -1.26 -4.03 105.19 110.43 1iqr n GLY 10 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 1iqr n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iqr n ASP 11 N 2.47 -1.10 -3.87 1.61 5.75 -1.14 -3.43 116.55 116.84 1iqr n ASP 11 Ca 0.50 -3.21 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 1iqr n ASP 11 Cb 0.76 0.89 -0.01 0.00 -1.03 0.00 0.00 41.12 41.73 1iqr n ASP 11 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iqr n LEU 12 N 0.12 6.09 -3.72 -2.12 4.77 -1.15 -4.84 117.00 116.16 1iqr n LEU 12 Ca 0.09 -3.91 -0.08 0.00 -0.03 0.00 0.00 56.01 52.08 1iqr n LEU 12 Cb 0.73 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 1iqr n LEU 12 CO 0.08 0.68 0.46 0.00 -1.33 0.00 0.00 177.39 177.28 1iqr s ARG 13 N 3.70 1.60 -0.05 3.23 1.70 -1.26 -4.32 118.95 123.55 1iqr s ARG 13 Ca 0.50 -0.81 0.10 0.00 -0.47 0.00 0.00 55.73 55.06 1iqr s ARG 13 Cb 0.12 0.59 -0.15 0.00 -0.57 0.00 0.00 34.95 34.94 1iqr s ARG 13 CO -0.03 -0.72 0.15 1.28 -1.08 0.00 0.00 175.30 174.90 1iqr n LEU 14 N -0.43 0.00 -4.77 -1.89 4.77 -1.26 -4.91 117.00 108.51 1iqr n LEU 14 Ca -0.08 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.52 1iqr n LEU 14 Cb 0.61 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1iqr n LEU 14 CO 0.14 0.11 0.72 -1.00 -1.33 0.00 0.00 177.39 176.03 1iqr s HIS 15 N -2.54 3.50 -1.14 -1.77 3.76 -1.26 -4.15 115.29 111.68 1iqr s HIS 15 Ca -0.04 1.71 -0.27 0.00 -0.15 0.00 0.00 55.06 56.30 1iqr s HIS 15 Cb 0.05 -3.11 0.03 0.00 1.11 0.00 0.00 32.58 30.66 1iqr s HIS 15 CO 0.44 -0.34 0.69 -3.47 -0.85 0.00 0.00 174.74 171.22 1iqr n ASP 16 N 0.51 -4.51 -3.87 1.40 2.03 -0.23 -4.83 116.55 107.05 1iqr n ASP 16 Ca 0.02 -1.19 -0.30 0.00 0.52 0.00 0.00 54.79 53.84 1iqr n ASP 16 Cb 0.48 -2.01 -0.15 0.00 -0.72 0.00 0.00 41.12 38.73 1iqr n ASP 16 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1iqr s HIS 17 N -3.43 2.70 0.24 -0.67 2.46 -1.26 -4.85 115.29 110.48 1iqr s HIS 17 Ca 0.41 -2.42 -0.05 0.00 0.47 0.00 0.00 55.06 53.47 1iqr s HIS 17 Cb -0.21 -2.31 0.39 0.00 -0.13 0.00 0.00 32.58 30.31 1iqr s HIS 17 CO 0.94 -0.89 1.80 -1.35 -2.47 0.00 0.00 174.74 172.76 1iqr h PRO 18 N 7.68 0.70 -0.56 2.88 0.11 -1.92 -2.58 132.00 138.31 1iqr h PRO 18 Ca -0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 1iqr h PRO 18 Cb 1.00 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1iqr h PRO 18 CO 0.51 0.46 0.02 0.00 -0.21 0.00 0.00 178.00 178.78 1iqr h ALA 19 N 1.45 0.99 0.02 -0.75 0.00 -1.92 -0.42 119.26 118.63 1iqr h ALA 19 Ca 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iqr h ALA 19 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1iqr h ALA 19 CO -0.26 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 180.85 1iqr h LEU 20 N 0.87 -0.02 -0.85 0.00 5.85 -1.84 -2.51 115.31 116.81 1iqr h LEU 20 Ca 0.17 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1iqr h LEU 20 Cb 0.48 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1iqr h LEU 20 CO 0.02 0.19 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.90 1iqr h LEU 21 N -0.23 0.47 -0.82 2.25 3.38 -1.41 -1.12 115.31 117.82 1iqr h LEU 21 Ca -0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1iqr h LEU 21 Cb 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1iqr h LEU 21 CO 0.00 0.78 0.36 -0.08 0.09 0.00 0.00 178.44 179.60 1iqr h GLU 22 N 0.39 1.21 -0.03 1.13 4.57 -1.02 -1.52 114.58 119.31 1iqr h GLU 22 Ca 0.04 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1iqr h GLU 22 Cb 0.78 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1iqr h GLU 22 CO 0.06 0.95 -0.37 0.00 -1.18 0.00 0.00 179.01 178.48 1iqr h ALA 23 N 1.19 0.08 -0.87 2.92 0.00 -1.32 -3.28 119.26 117.99 1iqr h ALA 23 Ca 0.28 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1iqr h ALA 23 Cb 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1iqr h ALA 23 CO -0.03 0.19 0.56 -0.07 0.00 0.00 0.00 179.25 179.90 1iqr h LEU 24 N -0.27 0.73 -1.97 0.00 3.38 -1.11 0.71 115.31 116.80 1iqr h LEU 24 Ca -0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iqr h LEU 24 Cb 1.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1iqr h LEU 24 CO 0.07 0.42 -0.10 0.00 0.09 0.00 0.00 178.44 178.92 1iqr h ALA 25 N 1.58 1.28 0.00 1.53 0.00 -1.34 -2.98 119.26 119.34 1iqr h ALA 25 Ca 0.41 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1iqr h ALA 25 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1iqr h ALA 25 CO -0.17 0.13 -1.51 0.54 0.00 0.00 0.00 179.25 178.23 1iqr n ARG 26 N -3.62 0.63 -3.59 0.00 1.74 0.18 -5.08 116.66 106.93 1iqr n ARG 26 Ca -0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1iqr n ARG 26 Cb 0.22 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1iqr n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iqr n GLY 27 N 1.34 -1.37 3.76 -0.13 0.00 -0.84 -5.11 105.19 102.84 1iqr n GLY 27 Ca -0.08 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1iqr n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqr s PRO 28 N -1.21 3.31 0.22 1.61 0.04 -1.26 -4.18 135.00 133.52 1iqr s PRO 28 Ca 0.00 2.10 0.06 0.00 0.04 0.00 0.00 61.00 63.20 1iqr s PRO 28 Cb 0.00 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1iqr s PRO 28 CO 0.00 -1.01 -0.10 0.14 0.04 0.00 0.00 177.00 176.07 1iqr s VAL 29 N -1.38 1.53 -0.03 -0.36 -7.23 -1.26 -1.21 120.40 110.47 1iqr s VAL 29 Ca 0.69 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1iqr s VAL 29 Cb -0.37 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1iqr s VAL 29 CO 0.44 -0.52 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.99 1iqr s VAL 30 N -3.10 0.39 0.43 1.32 1.01 -0.63 -4.73 120.40 115.09 1iqr s VAL 30 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1iqr s VAL 30 Cb 0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1iqr s VAL 30 CO 0.07 0.17 0.73 -0.83 0.00 0.00 0.00 175.10 175.24 1iqr s GLY 31 N 0.64 1.65 -0.12 4.51 0.00 -0.04 -1.14 107.32 112.82 1iqr s GLY 31 Ca -0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 1iqr s GLY 31 CO -0.00 -0.30 0.31 -2.27 0.00 0.00 0.00 173.10 170.84 1iqr s LEU 32 N -4.31 0.57 -0.03 0.66 2.96 0.25 -0.62 118.68 118.16 1iqr s LEU 32 Ca 0.47 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1iqr s LEU 32 Cb -0.10 1.04 -0.00 0.00 0.50 0.00 0.00 46.19 47.62 1iqr s LEU 32 CO 0.39 -0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.44 1iqr s VAL 33 N 0.61 1.23 -0.19 1.68 1.01 -0.35 -0.56 120.40 123.83 1iqr s VAL 33 Ca -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1iqr s VAL 33 Cb -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1iqr s VAL 33 CO -0.04 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1iqr s VAL 34 N -0.05 2.53 -0.74 2.92 1.01 -1.26 -1.40 120.40 123.41 1iqr s VAL 34 Ca -0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1iqr s VAL 34 Cb -0.09 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1iqr s VAL 34 CO 0.01 0.50 1.35 -0.76 0.00 0.00 0.00 175.10 176.20 1iqr s LEU 35 N 1.28 3.19 -0.16 3.92 1.43 0.14 -4.94 118.68 123.54 1iqr s LEU 35 Ca 0.04 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 1iqr s LEU 35 Cb -0.14 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1iqr s LEU 35 CO -0.08 -1.88 0.63 -0.62 0.23 0.00 0.00 176.35 174.63 1iqr s ASP 36 N 4.27 6.76 0.47 2.29 -1.08 -1.26 -1.35 116.67 126.77 1iqr s ASP 36 Ca 0.39 0.92 0.14 0.00 -0.52 0.00 0.00 52.55 53.48 1iqr s ASP 36 Cb -0.08 -2.36 1.09 0.00 -1.46 0.00 0.00 42.92 40.12 1iqr s ASP 36 CO 0.14 -0.22 2.06 1.55 0.52 0.00 0.00 175.17 179.23 1iqr h PRO 37 N 7.24 0.07 0.00 4.34 0.13 -1.94 0.33 132.00 142.17 1iqr h PRO 37 Ca -0.34 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1iqr h PRO 37 Cb 1.16 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1iqr h PRO 37 CO 0.77 0.13 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.75 1iqr h ASN 38 N 0.07 0.00 0.00 1.44 2.35 -1.94 -1.41 115.58 116.09 1iqr h ASN 38 Ca 0.02 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.51 1iqr h ASN 38 Cb 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1iqr h ASN 38 CO 0.01 0.01 -1.99 0.59 -1.65 0.00 0.00 177.43 174.40 1iqr n ASN 39 N -3.41 2.25 0.15 5.81 3.02 -0.43 -4.67 115.26 117.98 1iqr n ASN 39 Ca -0.03 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.58 1iqr n ASN 39 Cb 0.09 0.12 0.26 0.00 -0.61 0.00 0.00 39.78 39.65 1iqr n ASN 39 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1iqr h LEU 40 N 0.00 0.00 -5.44 3.41 3.38 -0.83 -3.38 115.31 112.45 1iqr h LEU 40 Ca -0.39 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 56.95 1iqr h LEU 40 Cb 1.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.46 1iqr h LEU 40 CO -0.03 0.01 3.29 0.29 0.09 0.00 0.00 178.44 182.09 1iqr n LYS 41 N -2.61 2.96 -0.08 1.13 5.02 -0.55 -4.78 118.16 119.25 1iqr n LYS 41 Ca 0.04 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1iqr n LYS 41 Cb 0.48 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 1iqr n LYS 41 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1iqr n THR 42 N 4.26 0.00 -2.30 -0.18 5.66 -1.26 -5.05 114.28 115.40 1iqr n THR 42 Ca 0.63 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 61.28 1iqr n THR 42 Cb 0.26 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.03 1iqr n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1iqr s THR 43 N -0.22 3.24 0.26 1.09 -4.23 -1.26 -4.84 115.64 109.68 1iqr s THR 43 Ca 0.00 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1iqr s THR 43 Cb 0.00 -3.34 0.24 0.00 1.34 0.00 0.00 72.50 70.74 1iqr s THR 43 CO 0.00 -0.14 1.71 -0.65 -0.54 0.00 0.00 174.62 175.00 1iqr h PRO 44 N 1.41 0.38 -0.87 3.99 0.11 -1.89 -1.57 132.00 133.57 1iqr h PRO 44 Ca -0.50 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1iqr h PRO 44 Cb 1.25 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1iqr h PRO 44 CO 0.58 0.25 0.57 0.07 -0.21 0.00 0.00 178.00 179.26 1iqr h ARG 45 N 0.39 1.13 -0.04 1.05 0.11 -1.81 -0.72 114.38 114.48 1iqr h ARG 45 Ca 0.45 -0.07 -0.23 0.00 0.10 0.00 0.00 59.98 60.23 1iqr h ARG 45 Cb 0.74 -0.25 0.01 0.00 1.11 0.00 0.00 29.97 31.58 1iqr h ARG 45 CO -0.46 0.75 -0.89 0.00 0.10 0.00 0.00 179.97 179.46 1iqr h ARG 46 N 1.16 0.55 -0.40 0.08 3.08 -1.74 -2.07 114.38 115.04 1iqr h ARG 46 Ca 0.32 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1iqr h ARG 46 Cb -0.12 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1iqr h ARG 46 CO -0.07 1.16 0.15 -0.09 -1.07 0.00 0.00 179.97 180.05 1iqr h ARG 47 N 0.34 0.61 -0.46 0.04 2.43 -1.04 -1.89 114.38 114.41 1iqr h ARG 47 Ca -0.08 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1iqr h ARG 47 Cb 1.52 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1iqr h ARG 47 CO 0.17 0.58 0.10 0.00 -1.51 0.00 0.00 179.97 179.31 1iqr h ALA 48 N 1.00 0.60 -0.70 2.80 0.00 -1.17 -0.63 119.26 121.17 1iqr h ALA 48 Ca 0.13 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1iqr h ALA 48 Cb 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1iqr h ALA 48 CO -0.01 0.30 0.37 2.35 0.00 0.00 0.00 179.25 182.26 1iqr h TRP 49 N 0.61 0.67 0.59 0.00 -0.00 -1.21 0.24 115.95 116.85 1iqr h TRP 49 Ca 0.14 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.03 1iqr h TRP 49 Cb 0.34 -0.20 0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1iqr h TRP 49 CO 0.02 0.28 -0.28 0.35 -0.00 0.00 0.00 178.44 178.81 1iqr h PHE 50 N 0.66 -0.73 -0.97 2.65 3.57 -1.04 -2.55 116.94 118.52 1iqr h PHE 50 Ca 0.33 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.94 1iqr h PHE 50 Cb 0.28 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 1iqr h PHE 50 CO -0.09 -0.40 0.59 -0.07 -2.23 0.00 0.00 178.31 176.11 1iqr h LEU 51 N -1.02 0.84 -0.99 0.59 3.38 -0.81 -0.72 115.31 116.58 1iqr h LEU 51 Ca -0.08 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1iqr h LEU 51 Cb 0.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1iqr h LEU 51 CO 0.13 0.42 -0.48 -0.33 0.09 0.00 0.00 178.44 178.27 1iqr h GLU 52 N 0.90 0.00 0.00 1.13 4.39 -0.54 -0.23 114.58 120.24 1iqr h GLU 52 Ca 0.50 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.10 1iqr h GLU 52 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1iqr h GLU 52 CO -0.29 0.48 -0.47 -0.91 -1.16 0.00 0.00 179.01 176.66 1iqr h ASN 53 N 0.00 0.00 -0.05 1.42 2.35 -0.79 -2.06 115.58 116.45 1iqr h ASN 53 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1iqr h ASN 53 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1iqr h ASN 53 CO 0.06 0.47 -0.72 0.58 -1.65 0.00 0.00 177.43 176.17 1iqr h VAL 54 N 0.00 1.30 -0.74 2.81 2.07 -0.65 -2.06 116.25 118.98 1iqr h VAL 54 Ca -0.00 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.49 1iqr h VAL 54 Cb 1.29 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 1iqr h VAL 54 CO 0.06 0.62 0.25 -0.09 0.02 0.00 0.00 177.57 178.43 1iqr h ARG 55 N 0.48 1.14 -0.39 1.57 2.43 -0.91 -2.41 114.38 116.29 1iqr h ARG 55 Ca -0.03 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.83 1iqr h ARG 55 Cb 1.32 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1iqr h ARG 55 CO 0.14 0.95 -0.09 0.00 -1.51 0.00 0.00 179.97 179.46 1iqr h ALA 56 N 1.17 1.10 -0.58 2.80 0.00 -1.25 -2.19 119.26 120.31 1iqr h ALA 56 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1iqr h ALA 56 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1iqr h ALA 56 CO -0.01 0.56 0.09 1.25 0.00 0.00 0.00 179.25 181.14 1iqr h LEU 57 N 0.63 0.92 -0.51 0.00 5.85 -1.08 -0.31 115.31 120.81 1iqr h LEU 57 Ca 0.11 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1iqr h LEU 57 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1iqr h LEU 57 CO 0.03 0.95 0.28 -0.09 -0.34 0.00 0.00 178.44 179.27 1iqr h ARG 58 N 0.86 0.71 -1.00 1.25 2.43 -1.18 0.61 114.38 118.05 1iqr h ARG 58 Ca 0.17 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1iqr h ARG 58 Cb 0.43 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1iqr h ARG 58 CO 0.01 0.55 0.66 0.93 -1.51 0.00 0.00 179.97 180.61 1iqr h GLU 59 N 0.67 1.26 -0.33 0.20 4.39 -1.00 0.22 114.58 120.00 1iqr h GLU 59 Ca 0.18 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1iqr h GLU 59 Cb 0.05 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1iqr h GLU 59 CO -0.03 0.84 -0.05 0.00 -1.16 0.00 0.00 179.01 178.61 1iqr h ALA 60 N 1.40 1.31 -0.05 3.43 0.00 -0.24 0.88 119.26 125.99 1iqr h ALA 60 Ca 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1iqr h ALA 60 Cb -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1iqr h ALA 60 CO -0.10 0.47 -0.05 1.88 0.00 0.00 0.00 179.25 181.44 1iqr h TYR 61 N 0.50 0.16 -0.73 0.00 -1.99 0.57 -3.17 116.97 112.30 1iqr h TYR 61 Ca 0.10 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.83 1iqr h TYR 61 Cb 0.40 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.04 1iqr h TYR 61 CO 0.01 0.59 0.44 0.00 -0.00 0.00 0.00 178.16 179.21 1iqr h ARG 62 N -0.32 0.82 -0.08 4.88 3.08 -0.31 0.93 114.38 123.38 1iqr h ARG 62 Ca 0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1iqr h ARG 62 Cb 0.56 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1iqr h ARG 62 CO 0.01 0.54 0.08 0.00 -1.07 0.00 0.00 179.97 179.53 1iqr h ALA 63 N 1.34 1.80 -0.33 0.04 0.00 -0.87 0.05 119.26 121.29 1iqr h ALA 63 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1iqr h ALA 63 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iqr h ALA 63 CO -0.15 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.52 1iqr n ARG 64 N -4.07 2.42 -0.70 0.00 1.74 -0.64 -4.94 116.66 110.46 1iqr n ARG 64 Ca -0.01 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.94 1iqr n ARG 64 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1iqr n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iqr n GLY 65 N 1.46 0.72 4.02 -0.13 0.00 0.00 -1.11 105.19 110.15 1iqr n GLY 65 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1iqr n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqr s GLY 66 N -1.90 1.78 -0.10 -0.02 0.00 0.23 -3.91 107.32 103.41 1iqr s GLY 66 Ca 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.82 1iqr s GLY 66 CO 0.00 -1.51 -0.23 0.00 0.00 0.00 0.00 173.10 171.36 1iqr s ALA 67 N -2.72 2.10 -0.19 3.20 0.00 -1.26 -3.60 121.76 119.29 1iqr s ALA 67 Ca 0.61 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1iqr s ALA 67 Cb -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1iqr s ALA 67 CO 0.39 0.28 -0.18 -1.17 0.00 0.00 0.00 175.76 175.08 1iqr s LEU 68 N 0.36 2.32 0.12 0.00 1.98 -1.26 -0.86 118.68 121.34 1iqr s LEU 68 Ca -0.19 -0.77 -0.16 0.00 -2.89 0.00 0.00 54.13 50.13 1iqr s LEU 68 Cb -0.18 -1.47 -0.07 0.00 0.66 0.00 0.00 46.19 45.13 1iqr s LEU 68 CO 0.09 -0.04 0.55 0.26 -1.89 0.00 0.00 176.35 175.31 1iqr s TRP 69 N 1.27 3.67 -0.11 5.38 0.52 0.21 -4.39 118.94 125.48 1iqr s TRP 69 Ca 0.03 1.11 -0.00 0.00 0.02 0.00 0.00 56.10 57.26 1iqr s TRP 69 Cb -0.14 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1iqr s TRP 69 CO -0.12 0.49 -0.08 0.08 0.02 0.00 0.00 176.95 177.34 1iqr s VAL 70 N -1.35 1.04 0.18 4.03 1.01 -0.79 -1.21 120.40 123.31 1iqr s VAL 70 Ca 0.35 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.12 1iqr s VAL 70 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1iqr s VAL 70 CO 0.19 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.70 1iqr s LEU 71 N 1.64 2.44 -0.06 3.92 1.43 -0.49 -4.01 118.68 123.54 1iqr s LEU 71 Ca 0.04 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1iqr s LEU 71 Cb -0.13 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1iqr s LEU 71 CO -0.08 0.01 -0.16 -0.70 0.23 0.00 0.00 176.35 175.65 1iqr s GLU 72 N -2.77 2.65 0.00 1.70 2.12 -1.26 0.28 118.70 121.43 1iqr s GLU 72 Ca 0.17 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1iqr s GLU 72 Cb -0.06 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1iqr s GLU 72 CO 0.08 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1iqr n GLY 73 N 2.64 0.85 3.70 -1.50 0.00 -0.46 -4.91 105.19 105.51 1iqr n GLY 73 Ca -0.17 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1iqr n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqr s LEU 74 N 0.00 4.34 0.30 0.99 1.43 -1.26 -4.08 118.68 120.39 1iqr s LEU 74 Ca 0.00 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1iqr s LEU 74 Cb 0.00 -3.57 0.78 0.00 0.03 0.00 0.00 46.19 43.43 1iqr s LEU 74 CO 0.00 -0.44 1.71 -0.65 0.23 0.00 0.00 176.35 177.20 1iqr h PRO 75 N 6.99 0.47 0.00 1.29 0.11 -1.95 0.29 132.00 139.20 1iqr h PRO 75 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1iqr h PRO 75 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1iqr h PRO 75 CO 0.82 0.31 0.00 -2.67 -0.21 0.00 0.00 178.00 176.24 1iqr n TRP 76 N -4.97 0.00 -0.05 0.65 2.14 -1.26 -1.61 117.44 112.34 1iqr n TRP 76 Ca 0.24 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.73 1iqr n TRP 76 Cb 0.68 -0.17 -0.04 0.00 -0.81 0.00 0.00 31.31 30.97 1iqr n TRP 76 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1iqr n GLU 77 N -1.17 0.24 0.04 -2.67 1.02 -0.04 -4.65 120.64 113.42 1iqr n GLU 77 Ca 0.09 0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 1iqr n GLU 77 Cb 0.09 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1iqr n GLU 77 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iqr h LYS 78 N -0.08 0.58 -0.10 3.49 1.79 -1.10 -2.74 116.57 118.41 1iqr h LYS 78 Ca -0.23 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 57.66 1iqr h LYS 78 Cb 1.32 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.11 1iqr h LYS 78 CO -0.06 1.19 0.03 0.28 -1.08 0.00 0.00 179.45 179.80 1iqr h VAL 79 N 0.35 1.19 -0.37 0.50 2.07 -1.55 -0.22 116.25 118.22 1iqr h VAL 79 Ca -0.08 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1iqr h VAL 79 Cb 1.54 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1iqr h VAL 79 CO 0.17 0.17 0.11 -0.65 0.02 0.00 0.00 177.57 177.38 1iqr h PRO 80 N -0.03 0.53 -0.10 1.57 0.11 -1.77 -0.89 132.00 131.43 1iqr h PRO 80 Ca 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1iqr h PRO 80 Cb 0.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1iqr h PRO 80 CO -0.00 0.47 0.03 1.49 -0.21 0.00 0.00 178.00 179.78 1iqr h GLU 81 N 0.52 0.15 -0.79 1.05 4.81 -1.15 -0.78 114.58 118.40 1iqr h GLU 81 Ca 0.13 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1iqr h GLU 81 Cb 0.17 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1iqr h GLU 81 CO -0.01 0.30 0.52 0.00 -0.73 0.00 0.00 179.01 179.09 1iqr h ALA 82 N 0.84 1.00 -0.61 2.92 0.00 -0.68 -1.42 119.26 121.31 1iqr h ALA 82 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iqr h ALA 82 Cb 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iqr h ALA 82 CO -0.00 0.40 0.35 0.00 0.00 0.00 0.00 179.25 180.00 1iqr h ALA 83 N 1.29 0.78 -0.04 0.00 0.00 -0.96 -1.26 119.26 119.07 1iqr h ALA 83 Ca 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1iqr h ALA 83 Cb -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1iqr h ALA 83 CO -0.07 0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1iqr h ARG 84 N 0.83 0.06 -0.75 0.00 3.08 -0.76 0.17 114.38 117.01 1iqr h ARG 84 Ca 0.22 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1iqr h ARG 84 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1iqr h ARG 84 CO -0.04 0.22 0.41 0.00 -1.07 0.00 0.00 179.97 179.50 1iqr h ARG 85 N -0.11 1.03 -0.00 0.04 3.08 -1.14 -2.24 114.38 115.04 1iqr h ARG 85 Ca 0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1iqr h ARG 85 Cb 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1iqr h ARG 85 CO -0.00 0.75 -0.43 1.28 -1.07 0.00 0.00 179.97 180.51 1iqr n LEU 86 N -4.36 0.48 -3.68 3.04 4.77 -0.49 -4.93 117.00 111.83 1iqr n LEU 86 Ca 0.08 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 1iqr n LEU 86 Cb 0.10 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1iqr n LEU 86 CO 0.38 0.11 0.17 0.29 -1.33 0.00 0.00 177.39 177.01 1iqr n LYS 87 N -1.44 -6.87 -2.21 3.23 5.02 0.47 -4.39 118.16 111.96 1iqr n LYS 87 Ca 0.06 0.75 -0.38 0.00 -2.02 0.00 0.00 58.31 56.72 1iqr n LYS 87 Cb 0.34 -5.71 -0.01 0.00 -0.02 0.00 0.00 35.03 29.62 1iqr n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqr s ALA 88 N -3.35 3.16 0.05 7.82 0.00 -0.51 -4.08 121.76 124.85 1iqr s ALA 88 Ca 0.49 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.59 1iqr s ALA 88 Cb -0.23 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 1iqr s ALA 88 CO 0.77 -0.65 1.24 0.87 0.00 0.00 0.00 175.76 177.99 1iqr h LYS 89 N 2.57 0.00 -2.50 0.00 1.57 -1.17 -3.48 116.57 113.56 1iqr h LYS 89 Ca -0.49 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1iqr h LYS 89 Cb 1.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 1iqr h LYS 89 CO 0.62 0.85 0.41 0.00 -0.57 0.00 0.00 179.45 180.76 1iqr s ALA 90 N -2.75 -1.66 -0.05 3.86 0.00 -1.26 -4.37 121.76 115.53 1iqr s ALA 90 Ca 0.01 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.50 1iqr s ALA 90 Cb 0.09 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1iqr s ALA 90 CO 0.81 -0.87 -0.25 0.08 0.00 0.00 0.00 175.76 175.53 1iqr s VAL 91 N -3.37 2.10 -0.06 0.00 1.01 -0.29 -1.52 120.40 118.27 1iqr s VAL 91 Ca 0.08 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1iqr s VAL 91 Cb -0.02 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1iqr s VAL 91 CO -0.04 0.57 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 1iqr s TYR 92 N -0.26 2.23 0.30 5.22 1.51 0.29 0.25 117.35 126.89 1iqr s TYR 92 Ca -0.01 -0.68 -0.09 0.00 -1.01 0.00 0.00 57.07 55.29 1iqr s TYR 92 Cb -0.13 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1iqr s TYR 92 CO 0.03 -0.22 0.51 0.00 -1.11 0.00 0.00 175.55 174.75 1iqr s ALA 93 N -0.06 0.15 -0.08 3.71 0.00 -0.45 -0.78 121.76 124.26 1iqr s ALA 93 Ca -0.05 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.64 1iqr s ALA 93 Cb -0.13 1.07 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1iqr s ALA 93 CO 0.04 -0.84 0.31 -0.51 0.00 0.00 0.00 175.76 174.76 1iqr s LEU 94 N -3.12 4.39 0.44 0.00 1.43 -1.26 -1.02 118.68 119.54 1iqr s LEU 94 Ca 0.25 0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 53.82 1iqr s LEU 94 Cb -0.01 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1iqr s LEU 94 CO 0.14 0.28 1.32 0.41 0.23 0.00 0.00 176.35 178.73 1iqr n THR 95 N 2.35 2.71 -4.92 5.49 -1.04 0.24 -4.78 114.28 114.33 1iqr n THR 95 Ca -0.15 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.08 1iqr n THR 95 Cb 0.53 -1.65 -0.17 0.00 -1.82 0.00 0.00 70.33 67.22 1iqr n THR 95 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iqr s SER 96 N -0.54 2.41 -0.14 8.00 0.15 -1.26 -4.51 113.70 117.81 1iqr s SER 96 Ca 0.62 -0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.01 1iqr s SER 96 Cb -0.48 -0.94 0.57 0.00 -1.71 0.00 0.00 66.02 63.45 1iqr s SER 96 CO 0.57 0.13 1.48 1.41 1.20 0.00 0.00 173.24 178.03 1iqr n HIS 97 N 3.45 1.13 -2.52 3.44 8.25 -1.26 -4.19 115.22 123.51 1iqr n HIS 97 Ca -0.20 -0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 56.23 1iqr n HIS 97 Cb 0.52 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 1iqr n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1iqr s THR 98 N -2.32 4.79 0.19 1.59 -4.23 -1.26 -4.89 115.64 109.52 1iqr s THR 98 Ca 0.42 0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 61.39 1iqr s THR 98 Cb 0.31 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.44 1iqr s THR 98 CO 0.14 -0.80 1.76 -0.65 -0.54 0.00 0.00 174.62 174.54 1iqr h PRO 99 N 0.50 0.42 -0.22 3.99 0.11 -1.99 0.14 132.00 134.96 1iqr h PRO 99 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1iqr h PRO 99 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1iqr h PRO 99 CO 0.62 0.28 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.66 1iqr h TYR 100 N 0.44 0.53 -0.62 0.65 3.20 -1.99 -2.18 116.97 116.99 1iqr h TYR 100 Ca 0.25 -0.14 0.11 0.00 3.14 0.00 0.00 58.73 62.10 1iqr h TYR 100 Cb 0.24 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 1iqr h TYR 100 CO -0.14 0.75 0.17 0.78 -1.64 0.00 0.00 178.16 178.08 1iqr h GLY 101 N 0.16 0.84 0.90 1.82 0.00 -1.77 0.22 103.07 105.24 1iqr h GLY 101 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1iqr h GLY 101 CO 0.03 -0.09 -0.00 3.21 0.00 0.00 0.00 176.54 179.69 1iqr h ARG 102 N 0.31 0.59 0.19 4.80 3.08 -0.93 -1.27 114.38 121.15 1iqr h ARG 102 Ca 0.33 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1iqr h ARG 102 Cb 0.47 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1iqr h ARG 102 CO -0.38 0.72 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.20 1iqr h TYR 103 N 0.39 -0.28 0.15 3.04 3.20 -0.70 -1.68 116.97 121.10 1iqr h TYR 103 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1iqr h TYR 103 Cb 0.45 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1iqr h TYR 103 CO 0.04 -0.17 -0.30 -0.09 -1.64 0.00 0.00 178.16 176.00 1iqr h ARG 104 N -0.28 -0.52 -0.16 1.82 2.43 -0.56 -1.47 114.38 115.64 1iqr h ARG 104 Ca -0.02 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1iqr h ARG 104 Cb 0.23 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1iqr h ARG 104 CO 0.03 -0.34 0.05 -0.44 -1.51 0.00 0.00 179.97 177.76 1iqr h ASP 105 N -0.54 0.20 -0.41 -3.80 3.32 -1.21 0.51 116.42 114.49 1iqr h ASP 105 Ca 0.02 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1iqr h ASP 105 Cb 0.55 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1iqr h ASP 105 CO -0.15 0.20 -0.21 1.23 -1.72 0.00 0.00 179.24 178.59 1iqr h GLY 106 N 0.36 0.95 1.05 2.75 0.00 -0.88 -0.65 103.07 106.66 1iqr h GLY 106 Ca 0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 1iqr h GLY 106 CO -0.00 0.78 0.13 3.21 0.00 0.00 0.00 176.54 180.66 1iqr h ARG 107 N 0.69 1.07 -0.44 4.80 2.47 -0.22 -2.18 114.38 120.58 1iqr h ARG 107 Ca 0.09 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 1iqr h ARG 107 Cb 0.78 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1iqr h ARG 107 CO 0.06 0.98 0.01 0.28 0.56 0.00 0.00 179.97 181.86 1iqr h VAL 108 N 1.00 1.26 -0.89 2.04 2.07 -0.80 -2.38 116.25 118.55 1iqr h VAL 108 Ca 0.20 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1iqr h VAL 108 Cb 0.41 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1iqr h VAL 108 CO 0.01 0.35 0.58 -0.09 0.02 0.00 0.00 177.57 178.44 1iqr h ARG 109 N 0.61 1.05 -0.44 1.57 2.43 -0.95 0.17 114.38 118.82 1iqr h ARG 109 Ca 0.13 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1iqr h ARG 109 Cb 0.47 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1iqr h ARG 109 CO 0.02 0.70 0.16 0.93 -1.51 0.00 0.00 179.97 180.27 1iqr h GLU 110 N 1.08 0.67 0.00 0.20 5.08 -1.08 -3.11 114.58 117.43 1iqr h GLU 110 Ca 0.36 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1iqr h GLU 110 Cb 0.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1iqr h GLU 110 CO -0.12 0.63 -0.33 0.00 -1.00 0.00 0.00 179.01 178.19 1iqr h ALA 111 N 1.01 0.82 -2.45 3.43 0.00 -0.91 -3.45 119.26 117.70 1iqr h ALA 111 Ca 0.14 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 1iqr h ALA 111 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iqr h ALA 111 CO -0.01 0.31 0.61 -0.51 0.00 0.00 0.00 179.25 179.65 1iqr s LEU 112 N -6.25 4.35 0.12 0.00 1.43 0.53 -4.91 118.68 113.95 1iqr s LEU 112 Ca 0.05 2.01 0.26 0.00 -1.03 0.00 0.00 54.13 55.42 1iqr s LEU 112 Cb 0.06 -3.57 0.73 0.00 0.03 0.00 0.00 46.19 43.44 1iqr s LEU 112 CO 0.72 -0.52 1.64 -0.81 0.23 0.00 0.00 176.35 177.61 1iqr n PRO 113 N 4.22 0.19 -4.44 1.29 -0.04 -1.26 -4.84 135.00 130.13 1iqr n PRO 113 Ca 0.10 0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.42 1iqr n PRO 113 Cb 0.46 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 1iqr n PRO 113 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iqr s VAL 114 N -3.09 2.50 0.50 0.52 -7.23 -1.26 -5.11 120.40 107.22 1iqr s VAL 114 Ca 0.10 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 57.91 1iqr s VAL 114 Cb 0.14 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 1iqr s VAL 114 CO 0.63 -0.24 1.40 -2.84 -0.31 0.00 0.00 175.10 173.74 1iqr s PRO 115 N -3.64 3.40 -0.29 4.82 0.02 -1.26 -4.84 135.00 133.21 1iqr s PRO 115 Ca 0.33 2.34 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 1iqr s PRO 115 Cb -0.00 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 32.12 1iqr s PRO 115 CO 0.18 -1.02 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.62 1iqr s LEU 116 N -3.14 3.75 -0.31 -5.54 2.96 -1.26 -1.14 118.68 114.00 1iqr s LEU 116 Ca 0.66 -1.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 1iqr s LEU 116 Cb -0.42 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1iqr s LEU 116 CO 0.52 -0.24 0.23 -1.00 -1.32 0.00 0.00 176.35 174.55 1iqr s HIS 117 N 1.22 3.22 -0.17 5.38 3.76 0.14 -4.99 115.29 123.85 1iqr s HIS 117 Ca -0.06 -0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.76 1iqr s HIS 117 Cb -0.20 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 1iqr s HIS 117 CO -0.02 -0.27 0.03 -0.51 -0.85 0.00 0.00 174.74 173.11 1iqr s LEU 118 N 1.78 3.63 0.16 0.89 1.43 -1.26 -1.34 118.68 123.97 1iqr s LEU 118 Ca 0.07 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1iqr s LEU 118 Cb -0.17 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1iqr s LEU 118 CO 0.11 0.17 -0.08 -0.76 0.23 0.00 0.00 176.35 176.02 1iqr s LEU 119 N 0.37 3.03 0.20 1.79 1.02 -0.19 -4.75 118.68 120.15 1iqr s LEU 119 Ca 0.01 -0.52 -0.31 0.00 0.02 0.00 0.00 54.13 53.33 1iqr s LEU 119 Cb -0.13 -1.73 -0.11 0.00 0.02 0.00 0.00 46.19 44.24 1iqr s LEU 119 CO 0.01 0.12 1.63 -2.84 0.02 0.00 0.00 176.35 175.29 1iqr s PRO 120 N -2.71 4.17 0.52 1.29 0.02 -1.26 0.83 135.00 137.85 1iqr s PRO 120 Ca 0.24 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.56 1iqr s PRO 120 Cb -0.09 -3.10 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 1iqr s PRO 120 CO 0.15 -0.66 1.04 0.00 -0.33 0.00 0.00 177.00 177.21 1iqr s ALA 121 N 0.96 2.84 0.14 -1.55 0.00 -1.26 -4.83 121.76 118.06 1iqr s ALA 121 Ca 0.71 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 1iqr s ALA 121 Cb -0.47 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1iqr s ALA 121 CO 0.34 -0.45 1.40 -2.14 0.00 0.00 0.00 175.76 174.90 1iqr s PRO 122 N -3.49 4.32 0.15 0.00 0.02 -1.26 -5.00 135.00 129.73 1iqr s PRO 122 Ca 0.66 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.76 1iqr s PRO 122 Cb -0.16 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 1iqr s PRO 122 CO 0.25 -0.42 0.15 -1.01 -0.33 0.00 0.00 177.00 175.64 1iqr s HIS 123 N 0.85 0.72 -0.08 6.54 3.76 -1.26 -4.67 115.29 121.15 1iqr s HIS 123 Ca 0.63 -1.08 -0.19 0.00 -0.15 0.00 0.00 55.06 54.28 1iqr s HIS 123 Cb -0.38 -0.33 -0.29 0.00 1.11 0.00 0.00 32.58 32.69 1iqr s HIS 123 CO 0.33 -0.60 0.70 -0.07 -0.85 0.00 0.00 174.74 174.24 1iqr h LEU 124 N 2.73 0.39 -7.57 0.89 4.07 -1.94 -3.45 115.31 110.43 1iqr h LEU 124 Ca -0.34 -0.89 -0.39 0.00 0.08 0.00 0.00 57.88 56.35 1iqr h LEU 124 Cb 1.21 -0.13 -0.36 0.00 1.08 0.00 0.00 40.66 42.47 1iqr h LEU 124 CO 0.55 1.50 -0.76 -0.76 -1.08 0.00 0.00 178.44 177.89 1iqr s LEU 125 N -7.73 0.93 0.54 1.67 1.43 -1.26 -4.95 118.68 109.31 1iqr s LEU 125 Ca -0.17 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 1iqr s LEU 125 Cb 0.03 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1iqr s LEU 125 CO 0.79 -0.13 1.36 -2.65 0.23 0.00 0.00 176.35 175.94 1iqr n PRO 126 N 4.52 1.72 0.21 1.29 -0.02 -1.26 -4.88 135.00 136.58 1iqr n PRO 126 Ca -0.18 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1iqr n PRO 126 Cb 0.50 -2.57 0.18 0.00 -0.02 0.00 0.00 33.50 31.59 1iqr n PRO 126 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1iqr h PRO 127 N 1.48 0.00 -1.11 0.52 0.13 -1.90 -3.30 132.00 127.81 1iqr h PRO 127 Ca -0.51 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 1iqr h PRO 127 Cb 1.30 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 1iqr h PRO 127 CO 0.57 0.00 0.66 -0.40 -0.23 0.00 0.00 178.00 178.61 1iqr n ASP 128 N -3.05 5.95 -4.75 1.44 5.75 -1.26 -4.44 116.55 116.19 1iqr n ASP 128 Ca 0.04 -3.48 -0.37 0.00 -0.01 0.00 0.00 54.79 50.98 1iqr n ASP 128 Cb 0.53 -0.92 0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1iqr n ASP 128 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1iqr s LEU 129 N -3.02 3.75 0.04 -2.12 2.96 -1.25 -4.96 118.68 114.09 1iqr s LEU 129 Ca 0.52 2.51 -0.21 0.00 -0.22 0.00 0.00 54.13 56.73 1iqr s LEU 129 Cb 0.41 -4.47 -0.10 0.00 0.50 0.00 0.00 46.19 42.53 1iqr s LEU 129 CO 0.03 -1.55 1.32 -0.65 -1.32 0.00 0.00 176.35 174.18 1iqr h PRO 130 N 1.15 -0.61 -6.99 0.98 0.11 -1.95 -3.43 132.00 121.26 1iqr h PRO 130 Ca -0.50 0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.11 1iqr h PRO 130 Cb 1.30 0.14 0.11 0.00 0.11 0.00 0.00 31.00 32.66 1iqr h PRO 130 CO 0.56 -0.41 0.65 0.50 -0.21 0.00 0.00 178.00 179.09 1iqr s ARG 131 N -4.62 3.64 -0.32 1.05 6.06 -1.26 -4.99 118.95 118.50 1iqr s ARG 131 Ca -0.10 2.27 -0.04 0.00 -2.50 0.00 0.00 55.73 55.36 1iqr s ARG 131 Cb 0.02 -2.58 0.05 0.00 0.06 0.00 0.00 34.95 32.50 1iqr s ARG 131 CO 0.34 -0.80 0.06 0.00 -2.50 0.00 0.00 175.30 172.40 1iqr s ALA 132 N -1.26 2.94 -0.09 6.12 0.00 -1.26 -5.09 121.76 123.12 1iqr s ALA 132 Ca 0.62 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1iqr s ALA 132 Cb -0.41 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1iqr s ALA 132 CO 0.51 -1.32 0.11 0.71 0.00 0.00 0.00 175.76 175.76 1iqr s TYR 133 N 1.32 3.46 -1.08 0.00 1.51 -1.26 -4.97 117.35 116.33 1iqr s TYR 133 Ca -0.03 0.40 0.15 0.00 -1.01 0.00 0.00 57.07 56.58 1iqr s TYR 133 Cb -0.20 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.70 1iqr s TYR 133 CO 0.01 0.65 0.74 0.54 -1.11 0.00 0.00 175.55 176.37 1iqr n ARG 134 N 1.83 1.91 -4.96 -0.62 1.74 -1.26 -4.82 116.66 110.47 1iqr n ARG 134 Ca -0.18 -0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 56.17 1iqr n ARG 134 Cb 0.54 -1.23 -0.14 0.00 -1.02 0.00 0.00 32.46 30.61 1iqr n ARG 134 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iqr s VAL 135 N -2.11 2.61 0.03 1.55 1.01 -1.26 -1.89 120.40 120.34 1iqr s VAL 135 Ca 0.09 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1iqr s VAL 135 Cb 0.12 -2.01 -0.18 0.00 0.00 0.00 0.00 36.38 34.31 1iqr s VAL 135 CO 0.49 0.51 1.46 0.22 0.00 0.00 0.00 175.10 177.78 1iqr h TYR 136 N 5.14 -0.07 -0.45 5.22 3.20 -1.92 -3.30 116.97 124.81 1iqr h TYR 136 Ca -0.46 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.50 1iqr h TYR 136 Cb 1.14 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 39.34 1iqr h TYR 136 CO 0.47 0.21 -0.33 1.15 -1.64 0.00 0.00 178.16 178.02 1iqr h THR 137 N -0.34 0.22 -0.60 1.81 2.02 -1.98 0.15 112.91 114.18 1iqr h THR 137 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1iqr h THR 137 Cb 0.30 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1iqr h THR 137 CO 0.01 0.00 0.37 -0.65 0.37 0.00 0.00 175.52 175.63 1iqr h PRO 138 N -0.23 0.80 -0.08 6.66 0.11 -2.02 -2.43 132.00 134.81 1iqr h PRO 138 Ca 0.19 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1iqr h PRO 138 Cb 0.54 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1iqr h PRO 138 CO -0.57 0.55 -0.00 0.35 -0.21 0.00 0.00 178.00 178.12 1iqr h PHE 139 N 0.82 0.16 0.00 0.65 3.57 -1.31 -3.14 116.94 117.70 1iqr h PHE 139 Ca 0.22 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1iqr h PHE 139 Cb -0.05 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1iqr h PHE 139 CO 0.00 0.42 -0.06 0.66 -2.23 0.00 0.00 178.31 177.10 1iqr h SER 140 N -0.15 0.00 0.53 0.41 4.64 -0.43 -2.64 113.55 115.91 1iqr h SER 140 Ca 0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1iqr h SER 140 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1iqr h SER 140 CO 0.00 0.06 -0.15 0.03 -0.87 0.00 0.00 176.83 175.90 1iqr h ARG 141 N 0.00 0.00 0.00 4.77 3.08 -1.39 -2.49 114.38 118.36 1iqr h ARG 141 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1iqr h ARG 141 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1iqr h ARG 141 CO 0.01 0.15 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.81 1iqr h LEU 142 N 0.00 0.00 -9.40 3.04 3.38 -1.60 -3.43 115.31 107.30 1iqr h LEU 142 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1iqr h LEU 142 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iqr h LEU 142 CO 0.02 0.18 0.79 -0.47 0.09 0.00 0.00 178.44 179.04 1iqr s TYR 143 N -3.90 2.98 -0.18 1.13 5.04 -0.94 -4.93 117.35 116.55 1iqr s TYR 143 Ca -0.01 0.91 0.13 0.00 -2.44 0.00 0.00 57.07 55.66 1iqr s TYR 143 Cb 0.12 -3.62 0.40 0.00 0.35 0.00 0.00 41.96 39.20 1iqr s TYR 143 CO 0.61 -2.24 1.20 0.54 -1.34 0.00 0.00 175.55 174.33 1iqr n ARG 144 N 5.07 1.40 0.00 4.97 5.12 -1.26 -5.09 116.66 126.88 1iqr n ARG 144 Ca 0.12 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.96 1iqr n ARG 144 Cb 0.44 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1iqr n ARG 144 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iqr n GLY 145 N -1.02 2.45 3.77 -0.13 0.00 -1.26 -5.04 105.19 103.96 1iqr n GLY 145 Ca 0.17 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1iqr n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqr s ALA 146 N -2.20 3.23 0.63 4.61 0.00 -1.26 -5.05 121.76 121.72 1iqr s ALA 146 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1iqr s ALA 146 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1iqr s ALA 146 CO 0.00 -0.02 1.04 0.00 0.00 0.00 0.00 175.76 176.77 1iqr s ALA 147 N -1.47 2.99 0.47 0.00 0.00 -1.26 -4.90 121.76 117.58 1iqr s ALA 147 Ca 0.50 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 1iqr s ALA 147 Cb -0.24 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 1iqr s ALA 147 CO 0.30 -0.80 1.25 -2.14 0.00 0.00 0.00 175.76 174.37 1iqr s PRO 148 N -5.05 3.66 0.45 0.00 0.02 -1.26 -4.81 135.00 128.00 1iqr s PRO 148 Ca 0.56 1.99 -0.14 0.00 0.02 0.00 0.00 61.00 63.43 1iqr s PRO 148 Cb -0.12 -2.47 -0.08 0.00 0.02 0.00 0.00 34.50 31.86 1iqr s PRO 148 CO 0.52 -0.70 0.87 -1.25 -0.33 0.00 0.00 177.00 176.12 1iqr s PRO 149 N -2.62 3.90 0.33 5.54 0.04 -1.26 -5.03 135.00 135.91 1iqr s PRO 149 Ca 0.64 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1iqr s PRO 149 Cb -0.34 -2.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 1iqr s PRO 149 CO 0.42 -0.12 0.96 -0.51 0.04 0.00 0.00 177.00 177.78 1iqr s LEU 150 N -3.82 4.31 0.57 -3.56 1.43 -1.26 -4.94 118.68 111.41 1iqr s LEU 150 Ca 0.56 1.85 -0.16 0.00 -1.03 0.00 0.00 54.13 55.35 1iqr s LEU 150 Cb -0.10 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1iqr s LEU 150 CO 0.29 -0.12 1.03 -2.16 0.23 0.00 0.00 176.35 175.62 1iqr s PRO 151 N -2.13 3.57 0.55 1.29 0.04 -1.26 -1.07 135.00 135.99 1iqr s PRO 151 Ca 0.51 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.52 1iqr s PRO 151 Cb -0.19 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1iqr s PRO 151 CO 0.24 -0.60 0.94 -1.25 0.04 0.00 0.00 177.00 176.37 1iqr s PRO 152 N -4.16 3.65 0.59 0.56 0.04 -1.26 -4.48 135.00 129.95 1iqr s PRO 152 Ca 0.61 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1iqr s PRO 152 Cb -0.13 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1iqr s PRO 152 CO 0.36 -0.39 1.10 -1.25 0.04 0.00 0.00 177.00 176.86 1iqr s PRO 153 N -4.80 3.18 0.05 0.56 0.04 -1.26 -4.95 135.00 127.82 1iqr s PRO 153 Ca 0.53 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 1iqr s PRO 153 Cb -0.11 -2.00 -0.32 0.00 0.04 0.00 0.00 34.50 32.11 1iqr s PRO 153 CO 0.46 -0.95 1.06 0.93 0.04 0.00 0.00 177.00 178.54 1iqr h GLU 154 N 0.62 0.42 -3.47 4.56 5.08 -1.98 -3.47 114.58 116.33 1iqr h GLU 154 Ca -0.48 -0.71 -0.07 0.00 -1.00 0.00 0.00 59.36 57.10 1iqr h GLU 154 Cb 1.24 0.27 -0.14 0.00 0.50 0.00 0.00 28.75 30.62 1iqr h GLU 154 CO 0.56 1.34 -0.18 0.00 -1.00 0.00 0.00 179.01 179.73 1iqr s ALA 155 N -2.63 -0.70 0.13 3.43 0.00 -1.26 -4.91 121.76 115.82 1iqr s ALA 155 Ca -0.07 -0.18 0.11 0.00 0.00 0.00 0.00 51.96 51.82 1iqr s ALA 155 Cb 0.05 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1iqr s ALA 155 CO 0.92 -0.56 -0.27 -0.51 0.00 0.00 0.00 175.76 175.34 1iqr s LEU 156 N -2.67 2.31 0.60 0.00 1.43 -0.27 -5.04 118.68 115.04 1iqr s LEU 156 Ca 0.02 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 1iqr s LEU 156 Cb 0.02 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1iqr s LEU 156 CO -0.10 0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.65 1iqr s PRO 157 N -2.02 3.04 0.51 1.29 0.04 -1.26 -4.00 135.00 132.60 1iqr s PRO 157 Ca 0.14 1.64 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1iqr s PRO 157 Cb -0.10 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1iqr s PRO 157 CO 0.06 -1.11 1.12 0.21 0.04 0.00 0.00 177.00 177.32 1iqr s LYS 158 N -3.51 3.55 0.26 4.56 2.20 -1.25 -4.27 119.74 121.27 1iqr s LYS 158 Ca 0.73 1.61 -0.21 0.00 -0.36 0.00 0.00 55.97 57.74 1iqr s LYS 158 Cb -0.25 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1iqr s LYS 158 CO 0.33 -0.69 0.78 0.20 -0.36 0.00 0.00 175.35 175.61 1iqr s GLY 159 N -1.69 -0.09 0.34 5.54 0.00 -1.26 -4.95 107.32 105.22 1iqr s GLY 159 Ca 0.69 -0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.91 1iqr s GLY 159 CO 0.28 -0.05 0.94 2.56 0.00 0.00 0.00 173.10 176.82 1iqr s PRO 160 N -3.67 4.51 -0.05 2.90 0.04 -1.26 -4.64 135.00 132.84 1iqr s PRO 160 Ca 0.12 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1iqr s PRO 160 Cb -0.05 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1iqr s PRO 160 CO 0.06 0.23 -0.07 -2.00 0.04 0.00 0.00 177.00 175.26 1iqr s GLU 161 N -2.24 2.69 0.06 4.56 2.12 -1.26 -4.76 118.70 119.87 1iqr s GLU 161 Ca 0.52 -0.59 -0.05 0.00 0.36 0.00 0.00 54.97 55.20 1iqr s GLU 161 Cb -0.17 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1iqr s GLU 161 CO 0.22 0.65 0.10 -1.21 -0.54 0.00 0.00 175.26 174.47 1iqr s GLU 162 N -0.95 0.69 0.00 4.30 0.41 -1.26 -5.05 118.70 116.84 1iqr s GLU 162 Ca 0.13 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1iqr s GLU 162 Cb -0.11 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.51 1iqr s GLU 162 CO 0.03 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 1iqr n GLY 163 N 0.28 -0.72 3.48 -1.39 0.00 -1.26 -1.88 105.19 103.71 1iqr n GLY 163 Ca -0.16 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 1iqr n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqr s GLU 164 N -3.77 1.76 -0.38 1.61 0.41 -1.26 -4.67 118.70 112.39 1iqr s GLU 164 Ca 0.00 -1.25 -0.07 0.00 -0.41 0.00 0.00 54.97 53.24 1iqr s GLU 164 Cb 0.00 -2.07 0.06 0.00 -1.78 0.00 0.00 34.13 30.34 1iqr s GLU 164 CO 0.00 0.46 0.19 0.42 -0.49 0.00 0.00 175.26 175.84 1iqr s ILE 165 N -1.27 3.94 0.73 -1.63 1.01 -1.26 -4.89 121.20 117.83 1iqr s ILE 165 Ca 0.19 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 1iqr s ILE 165 Cb -0.10 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1iqr s ILE 165 CO 0.10 -0.38 0.43 -2.65 0.00 0.00 0.00 174.94 172.45 1iqr n PRO 166 N 4.84 0.25 -3.99 2.79 -0.02 -1.26 -4.99 135.00 132.61 1iqr n PRO 166 Ca -0.10 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1iqr n PRO 166 Cb 0.44 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 1iqr n PRO 166 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1iqr s ARG 167 N -2.66 2.87 0.11 -0.52 0.52 -1.26 -4.90 118.95 113.11 1iqr s ARG 167 Ca 0.64 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1iqr s ARG 167 Cb -0.35 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1iqr s ARG 167 CO 0.60 -0.36 -0.00 -1.21 0.02 0.00 0.00 175.30 174.35 1iqr s GLU 168 N 1.31 2.51 -0.45 3.54 0.41 -1.26 -5.08 118.70 119.68 1iqr s GLU 168 Ca 0.01 -0.91 -0.24 0.00 -0.41 0.00 0.00 54.97 53.42 1iqr s GLU 168 Cb -0.16 -2.49 0.02 0.00 -1.78 0.00 0.00 34.13 29.72 1iqr s GLU 168 CO -0.06 0.52 0.85 0.34 -0.49 0.00 0.00 175.26 176.42 1iqr s ASP 169 N -2.47 6.47 0.55 -0.19 -1.08 -1.26 -4.85 116.67 113.84 1iqr s ASP 169 Ca 0.26 0.05 0.33 0.00 -0.52 0.00 0.00 52.55 52.67 1iqr s ASP 169 Cb -0.11 -2.42 1.44 0.00 -1.46 0.00 0.00 42.92 40.38 1iqr s ASP 169 CO 0.18 -0.96 2.02 1.55 0.52 0.00 0.00 175.17 178.48 1iqr h PRO 170 N 8.97 0.00 0.00 4.34 0.13 -1.92 -3.42 132.00 140.10 1iqr h PRO 170 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1iqr h PRO 170 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1iqr h PRO 170 CO 0.99 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1iqr n GLY 171 N -0.17 0.94 3.81 1.56 0.00 -1.26 -3.54 105.19 106.53 1iqr n GLY 171 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1iqr n GLY 171 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1iqr s LEU 172 N 0.00 -0.16 -0.07 0.99 0.05 -1.26 -5.11 118.68 113.12 1iqr s LEU 172 Ca 0.00 -0.67 -0.30 0.00 0.05 0.00 0.00 54.13 53.21 1iqr s LEU 172 Cb 0.00 2.57 -0.04 0.00 -2.05 0.00 0.00 46.19 46.67 1iqr s LEU 172 CO 0.00 -1.32 1.39 -2.84 -0.55 0.00 0.00 176.35 173.03 1iqr s PRO 173 N -3.91 4.25 0.10 1.48 0.02 -1.26 -5.03 135.00 130.65 1iqr s PRO 173 Ca 0.13 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 63.02 1iqr s PRO 173 Cb -0.05 -3.72 -0.05 0.00 0.02 0.00 0.00 34.50 30.70 1iqr s PRO 173 CO 0.07 -0.66 0.29 -0.51 -0.33 0.00 0.00 177.00 175.86 1iqr s LEU 174 N 3.07 4.32 1.21 -5.54 1.43 -1.26 -5.00 118.68 116.90 1iqr s LEU 174 Ca 0.62 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.98 1iqr s LEU 174 Cb -0.28 -3.12 0.29 0.00 0.03 0.00 0.00 46.19 43.11 1iqr s LEU 174 CO 0.23 0.12 1.04 -2.84 0.23 0.00 0.00 176.35 175.12 1iqr s PRO 175 N -2.57 -1.29 -0.08 1.29 0.02 -1.26 -4.89 135.00 126.24 1iqr s PRO 175 Ca 0.38 0.35 -0.30 0.00 0.02 0.00 0.00 61.00 61.44 1iqr s PRO 175 Cb -0.13 -1.55 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 1iqr s PRO 175 CO 0.26 -3.84 1.29 -2.00 -0.33 0.00 0.00 177.00 172.38 1iqr s GLU 176 N -4.96 4.29 0.63 5.54 2.12 -1.26 -4.99 118.70 120.07 1iqr s GLU 176 Ca 0.68 1.77 -0.12 0.00 0.36 0.00 0.00 54.97 57.66 1iqr s GLU 176 Cb -0.17 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1iqr s GLU 176 CO 0.59 -0.58 1.04 -1.25 -0.54 0.00 0.00 175.26 174.52 1iqr s PRO 177 N 2.77 3.35 0.00 4.30 0.04 -1.26 -4.74 135.00 139.46 1iqr s PRO 177 Ca 0.58 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1iqr s PRO 177 Cb -0.26 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1iqr s PRO 177 CO 0.21 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1iqr n GLY 178 N -2.01 2.12 0.26 0.56 0.00 -1.26 -4.58 105.19 100.27 1iqr n GLY 178 Ca 0.07 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1iqr n GLY 178 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iqr h GLU 179 N 0.00 0.90 -0.26 1.61 4.81 -1.84 -2.44 114.58 117.37 1iqr h GLU 179 Ca 0.00 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1iqr h GLU 179 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1iqr h GLU 179 CO 0.00 0.98 0.12 0.93 -0.73 0.00 0.00 179.01 180.31 1iqr h GLU 180 N 0.75 0.25 -0.77 1.92 5.08 -1.94 0.14 114.58 120.02 1iqr h GLU 180 Ca 0.12 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1iqr h GLU 180 Cb 0.63 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1iqr h GLU 180 CO 0.04 0.17 0.51 0.00 -1.00 0.00 0.00 179.01 178.73 1iqr h ALA 181 N 1.13 0.98 -0.47 3.43 0.00 -1.80 0.07 119.26 122.60 1iqr h ALA 181 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1iqr h ALA 181 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1iqr h ALA 181 CO -0.08 0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.78 1iqr h ALA 182 N 1.29 0.61 -0.63 0.00 0.00 -0.89 -0.54 119.26 119.10 1iqr h ALA 182 Ca 0.28 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1iqr h ALA 182 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1iqr h ALA 182 CO -0.07 0.17 0.04 -0.07 0.00 0.00 0.00 179.25 179.32 1iqr h LEU 183 N 0.62 1.06 -0.86 0.00 3.38 -0.31 -0.78 115.31 118.41 1iqr h LEU 183 Ca 0.16 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1iqr h LEU 183 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1iqr h LEU 183 CO -0.02 1.09 0.27 0.00 0.09 0.00 0.00 178.44 179.87 1iqr h ALA 184 N 1.01 1.09 -0.64 1.53 0.00 -0.78 -1.77 119.26 119.69 1iqr h ALA 184 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1iqr h ALA 184 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1iqr h ALA 184 CO 0.03 0.64 0.11 0.78 0.00 0.00 0.00 179.25 180.81 1iqr h GLY 185 N 1.12 1.12 0.88 0.00 0.00 -0.67 -2.10 103.07 103.41 1iqr h GLY 185 Ca 0.25 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1iqr h GLY 185 CO -0.02 0.67 0.07 -2.00 0.00 0.00 0.00 176.54 175.26 1iqr h LEU 186 N 0.98 0.31 -0.57 3.11 5.85 -0.64 -1.91 115.31 122.44 1iqr h LEU 186 Ca 0.20 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1iqr h LEU 186 Cb 0.40 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1iqr h LEU 186 CO 0.01 0.42 0.38 0.03 -0.34 0.00 0.00 178.44 178.94 1iqr h ARG 187 N 0.19 0.75 -0.07 1.25 3.08 -1.23 -0.92 114.38 117.42 1iqr h ARG 187 Ca 0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1iqr h ARG 187 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1iqr h ARG 187 CO -0.00 0.50 -0.02 0.00 -1.07 0.00 0.00 179.97 179.37 1iqr h ALA 188 N 1.21 0.04 0.22 0.04 0.00 -1.29 -1.57 119.26 117.92 1iqr h ALA 188 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iqr h ALA 188 Cb -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iqr h ALA 188 CO -0.05 -0.49 -0.17 0.35 0.00 0.00 0.00 179.25 178.89 1iqr h PHE 189 N -0.01 -0.45 -0.63 0.00 3.57 -1.10 -0.40 116.94 117.93 1iqr h PHE 189 Ca 0.03 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1iqr h PHE 189 Cb 0.06 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1iqr h PHE 189 CO -0.13 -0.27 0.29 -0.07 -2.23 0.00 0.00 178.31 175.90 1iqr h LEU 190 N -0.40 0.36 -0.06 0.59 3.38 -1.04 0.20 115.31 118.34 1iqr h LEU 190 Ca -0.01 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1iqr h LEU 190 Cb 0.36 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iqr h LEU 190 CO -0.01 0.22 -0.32 -0.33 0.09 0.00 0.00 178.44 178.09 1iqr h GLU 191 N 0.52 0.31 0.00 1.13 4.39 -1.19 -3.34 114.58 116.40 1iqr h GLU 191 Ca 0.30 -0.26 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1iqr h GLU 191 Cb 0.30 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1iqr h GLU 191 CO -0.25 0.91 -0.90 0.00 -1.16 0.00 0.00 179.01 177.61 1iqr h ALA 192 N 0.40 0.17 0.00 3.43 0.00 -0.94 -3.44 119.26 118.88 1iqr h ALA 192 Ca -0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 54.91 53.82 1iqr h ALA 192 Cb 0.98 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1iqr h ALA 192 CO 0.07 0.55 -1.67 1.63 0.00 0.00 0.00 179.25 179.83 1iqr n LYS 193 N -4.51 0.64 -0.22 0.00 5.02 0.51 -4.52 118.16 115.09 1iqr n LYS 193 Ca -0.23 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.14 1iqr n LYS 193 Cb 0.54 -1.69 0.13 0.00 -0.02 0.00 0.00 35.03 34.00 1iqr n LYS 193 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1iqr h LEU 194 N 0.00 -0.07 -0.97 -0.35 5.85 -1.14 -2.20 115.31 116.43 1iqr h LEU 194 Ca -0.16 0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.92 1iqr h LEU 194 Cb 1.46 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.56 1iqr h LEU 194 CO 0.02 -0.04 0.54 -0.65 -0.34 0.00 0.00 178.44 177.98 1iqr h PRO 195 N 0.22 0.54 -0.41 5.25 0.11 -1.80 -1.91 132.00 134.01 1iqr h PRO 195 Ca 0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1iqr h PRO 195 Cb 0.57 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1iqr h PRO 195 CO -0.47 0.36 0.00 0.54 -0.21 0.00 0.00 178.00 178.21 1iqr n ARG 196 N -4.91 2.46 -0.28 1.05 5.12 -0.99 -4.51 116.66 114.61 1iqr n ARG 196 Ca 0.25 -2.16 0.08 0.00 -1.93 0.00 0.00 57.85 54.10 1iqr n ARG 196 Cb 0.70 -1.40 0.21 0.00 -1.16 0.00 0.00 32.46 30.81 1iqr n ARG 196 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1iqr h TYR 197 N 3.22 0.08 0.00 -1.55 3.20 -0.73 0.20 116.97 121.39 1iqr h TYR 197 Ca 0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1iqr h TYR 197 Cb 0.83 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1iqr h TYR 197 CO 0.27 -0.24 -0.02 0.00 -1.64 0.00 0.00 178.16 176.53 1iqr h ALA 198 N 1.76 1.78 0.00 1.82 0.00 -1.84 0.20 119.26 122.98 1iqr h ALA 198 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1iqr h ALA 198 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1iqr h ALA 198 CO -0.68 0.03 -1.36 0.39 0.00 0.00 0.00 179.25 177.62 1iqr n GLU 199 N -4.25 0.46 0.00 0.00 4.71 0.55 -4.44 120.64 117.68 1iqr n GLU 199 Ca -0.03 -0.05 0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1iqr n GLU 199 Cb 0.11 -1.61 -0.02 0.00 -1.01 0.00 0.00 31.44 28.91 1iqr n GLU 199 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1iqr n GLU 200 N -2.18 3.31 0.00 3.49 -0.58 -0.27 -4.68 120.64 119.73 1iqr n GLU 200 Ca -0.00 -0.27 0.05 0.00 -0.42 0.00 0.00 57.16 56.51 1iqr n GLU 200 Cb 0.50 -0.95 0.28 0.00 -0.57 0.00 0.00 31.44 30.70 1iqr n GLU 200 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1iqr n ARG 201 N -0.74 0.29 0.00 3.49 1.85 0.66 -2.69 116.66 119.52 1iqr n ARG 201 Ca 0.02 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.94 1iqr n ARG 201 Cb 0.15 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.10 1iqr n ARG 201 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1iqr n ASP 202 N -1.01 1.82 -4.65 2.89 10.43 -1.26 -4.80 116.55 119.97 1iqr n ASP 202 Ca 0.07 -1.41 -0.40 0.00 2.57 0.00 0.00 54.79 55.62 1iqr n ASP 202 Cb 0.03 0.11 0.03 0.00 1.84 0.00 0.00 41.12 43.13 1iqr n ASP 202 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1iqr n ARG 203 N 0.46 1.37 0.17 -1.24 1.74 -1.10 -4.79 116.66 113.28 1iqr n ARG 203 Ca 0.06 0.50 0.03 0.00 -0.77 0.00 0.00 57.85 57.67 1iqr n ARG 203 Cb 0.28 -2.24 0.28 0.00 -1.02 0.00 0.00 32.46 29.77 1iqr n ARG 203 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1iqr h LEU 204 N 1.29 0.00 -0.10 0.55 3.38 -1.63 -2.61 115.31 116.19 1iqr h LEU 204 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1iqr h LEU 204 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1iqr h LEU 204 CO 0.55 0.47 -0.07 -0.90 0.09 0.00 0.00 178.44 178.58 1iqr n ASP 205 N -3.71 0.22 -2.07 -0.43 5.75 -1.26 -4.44 116.55 110.61 1iqr n ASP 205 Ca -0.01 -0.27 -0.15 0.00 -0.01 0.00 0.00 54.79 54.35 1iqr n ASP 205 Cb 0.53 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1iqr n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqr n GLY 206 N 1.31 0.19 0.00 6.12 0.00 -0.98 -4.78 105.19 107.05 1iqr n GLY 206 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1iqr n GLY 206 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iqr n GLU 207 N -2.56 0.82 0.00 1.61 1.02 -1.26 -2.67 120.64 117.60 1iqr n GLU 207 Ca -0.17 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1iqr n GLU 207 Cb 0.58 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.85 1iqr n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqr n GLY 208 N 1.02 -0.29 3.99 0.62 0.00 -1.26 -4.93 105.19 104.35 1iqr n GLY 208 Ca 0.21 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1iqr n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqr s GLY 209 N -2.35 1.93 0.39 -0.02 0.00 -1.09 -4.58 107.32 101.60 1iqr s GLY 209 Ca 0.27 -1.83 0.21 0.00 0.00 0.00 0.00 44.72 43.37 1iqr s GLY 209 CO 0.47 -1.61 1.65 1.48 0.00 0.00 0.00 173.10 175.10 1iqr h SER 210 N 0.56 0.00 -3.81 1.64 4.64 -1.91 -3.47 113.55 111.19 1iqr h SER 210 Ca -0.37 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.54 1iqr h SER 210 Cb 1.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.39 1iqr h SER 210 CO 0.46 0.26 -0.57 0.54 -0.87 0.00 0.00 176.83 176.65 1iqr n ARG 211 N -3.25 -3.34 0.00 4.77 5.12 -1.26 -4.88 116.66 113.82 1iqr n ARG 211 Ca 0.02 0.95 0.12 0.00 -1.93 0.00 0.00 57.85 57.00 1iqr n ARG 211 Cb 0.55 -5.71 0.05 0.00 -1.16 0.00 0.00 32.46 26.19 1iqr n ARG 211 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1iqr n LEU 212 N -3.54 2.39 -0.34 0.55 4.77 -1.26 -4.59 117.00 114.98 1iqr n LEU 212 Ca -0.18 -0.84 0.17 0.00 -0.03 0.00 0.00 56.01 55.14 1iqr n LEU 212 Cb 0.65 -0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.14 1iqr n LEU 212 CO 0.38 0.42 1.19 0.77 -1.33 0.00 0.00 177.39 178.82 1iqr h SER 213 N 3.32 0.65 -0.23 -1.43 4.64 -1.99 -0.40 113.55 118.10 1iqr h SER 213 Ca 0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1iqr h SER 213 Cb 0.85 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1iqr h SER 213 CO 0.00 0.16 0.10 -0.65 -0.87 0.00 0.00 176.83 175.58 1iqr h PRO 214 N 0.59 0.38 -0.02 4.77 0.11 -1.87 -0.07 132.00 135.90 1iqr h PRO 214 Ca 0.60 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.54 1iqr h PRO 214 Cb 1.18 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1iqr h PRO 214 CO -0.39 0.32 -0.49 1.88 -0.21 0.00 0.00 178.00 179.12 1iqr h TYR 215 N 0.38 0.52 -0.57 0.65 -1.99 -1.43 -3.27 116.97 111.27 1iqr h TYR 215 Ca 0.10 -0.27 0.03 0.00 2.00 0.00 0.00 58.73 60.58 1iqr h TYR 215 Cb 0.09 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.72 1iqr h TYR 215 CO 0.00 1.07 0.34 0.74 -0.00 0.00 0.00 178.16 180.32 1iqr h PHE 216 N -0.18 0.64 -0.95 4.88 0.05 -1.12 -0.14 116.94 120.12 1iqr h PHE 216 Ca -0.06 0.02 0.25 0.00 3.82 0.00 0.00 57.97 62.00 1iqr h PHE 216 Cb 1.20 -0.21 -0.06 0.00 2.00 0.00 0.00 35.95 38.88 1iqr h PHE 216 CO 0.15 0.36 0.65 0.00 -0.18 0.00 0.00 178.31 179.29 1iqr h ALA 217 N 1.25 2.51 -0.38 2.45 0.00 -1.06 0.28 119.26 124.32 1iqr h ALA 217 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iqr h ALA 217 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iqr h ALA 217 CO -0.10 -0.82 0.00 1.28 0.00 0.00 0.00 179.25 179.61 1iqr n LEU 218 N -4.42 3.03 -0.79 0.00 4.77 -0.99 -4.97 117.00 113.63 1iqr n LEU 218 Ca 0.21 -1.85 -0.10 0.00 -0.03 0.00 0.00 56.01 54.23 1iqr n LEU 218 Cb 0.87 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1iqr n LEU 218 CO 0.33 0.74 -0.10 0.61 -1.33 0.00 0.00 177.39 177.64 1iqr n GLY 219 N 0.79 1.02 0.24 -0.72 0.00 0.09 -2.89 105.19 103.71 1iqr n GLY 219 Ca 0.14 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1iqr n GLY 219 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iqr h VAL 220 N 0.00 0.26 -3.44 1.61 2.07 -1.23 -3.22 116.25 112.30 1iqr h VAL 220 Ca -0.20 -0.93 -0.50 0.00 0.82 0.00 0.00 66.70 65.88 1iqr h VAL 220 Cb 0.70 1.75 -0.33 0.00 -1.52 0.00 0.00 31.29 31.88 1iqr h VAL 220 CO 0.29 0.11 -0.81 -0.22 0.02 0.00 0.00 177.57 176.97 1iqr s LEU 221 N -6.43 1.63 0.02 2.57 0.20 -1.23 -4.64 118.68 110.80 1iqr s LEU 221 Ca 0.02 -0.28 -0.29 0.00 0.69 0.00 0.00 54.13 54.27 1iqr s LEU 221 Cb 0.09 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 45.02 1iqr s LEU 221 CO 0.61 0.03 0.91 -0.55 -0.29 0.00 0.00 176.35 177.07 1iqr s SER 222 N 0.66 7.33 0.46 3.68 0.15 -1.26 -4.55 113.70 120.18 1iqr s SER 222 Ca -0.14 1.60 0.19 0.00 0.70 0.00 0.00 55.95 58.30 1iqr s SER 222 Cb -0.16 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.73 1iqr s SER 222 CO 0.03 -0.17 1.99 1.55 1.20 0.00 0.00 173.24 177.85 1iqr h PRO 223 N 6.39 0.00 -0.42 5.44 0.13 -1.97 -2.18 132.00 139.39 1iqr h PRO 223 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1iqr h PRO 223 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1iqr h PRO 223 CO 0.74 0.19 -0.16 -0.09 -0.23 0.00 0.00 178.00 178.45 1iqr h ARG 224 N 0.00 0.84 -0.36 0.86 2.43 -1.87 -1.07 114.38 115.22 1iqr h ARG 224 Ca -0.00 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.78 1iqr h ARG 224 Cb 0.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1iqr h ARG 224 CO 0.02 0.99 0.08 1.25 -1.51 0.00 0.00 179.97 180.80 1iqr h LEU 225 N 0.66 0.55 -0.29 3.80 6.46 -1.79 -1.27 115.31 123.43 1iqr h LEU 225 Ca 0.10 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1iqr h LEU 225 Cb 0.71 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1iqr h LEU 225 CO 0.05 0.65 0.16 0.00 -0.62 0.00 0.00 178.44 178.68 1iqr h ALA 226 N 0.92 0.36 -0.61 1.25 0.00 -1.28 -1.27 119.26 118.62 1iqr h ALA 226 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1iqr h ALA 226 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1iqr h ALA 226 CO 0.00 -0.22 0.31 0.00 0.00 0.00 0.00 179.25 179.34 1iqr h ALA 227 N 1.14 0.79 -0.37 0.00 0.00 -1.11 -1.38 119.26 118.32 1iqr h ALA 227 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iqr h ALA 227 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1iqr h ALA 227 CO -0.07 0.33 0.23 2.35 0.00 0.00 0.00 179.25 182.09 1iqr h TRP 228 N 0.84 0.42 -0.10 0.00 2.91 -0.85 -0.32 115.95 118.84 1iqr h TRP 228 Ca 0.21 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 1iqr h TRP 228 Cb 0.09 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.60 1iqr h TRP 228 CO -0.00 0.25 0.03 0.93 -1.03 0.00 0.00 178.44 178.62 1iqr h GLU 229 N 0.46 0.16 -0.56 2.65 4.39 -1.08 -2.35 114.58 118.26 1iqr h GLU 229 Ca 0.14 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1iqr h GLU 229 Cb -0.01 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1iqr h GLU 229 CO -0.06 0.32 0.31 0.00 -1.16 0.00 0.00 179.01 178.42 1iqr h ALA 230 N 0.84 0.72 0.00 3.43 0.00 -1.06 -1.46 119.26 121.73 1iqr h ALA 230 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iqr h ALA 230 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iqr h ALA 230 CO -0.00 0.00 -0.10 0.93 0.00 0.00 0.00 179.25 180.08 1iqr h GLU 231 N 0.61 0.00 0.00 0.00 5.08 -0.99 -0.96 114.58 118.31 1iqr h GLU 231 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1iqr h GLU 231 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1iqr h GLU 231 CO -0.13 0.10 -0.29 0.00 -1.00 0.00 0.00 179.01 177.70 1iqr h ARG 232 N 0.00 0.00 0.22 2.33 3.08 -0.70 -2.71 114.38 116.60 1iqr h ARG 232 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1iqr h ARG 232 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 1iqr h ARG 232 CO 0.01 0.29 -1.63 0.00 -1.07 0.00 0.00 179.97 177.57 1iqr h ARG 233 N 0.00 0.46 0.00 0.04 2.47 -1.07 -3.50 114.38 112.78 1iqr h ARG 233 Ca -0.00 -0.79 0.21 0.00 -1.26 0.00 0.00 59.98 58.14 1iqr h ARG 233 Cb 0.71 0.29 -0.05 0.00 -1.65 0.00 0.00 29.97 29.27 1iqr h ARG 233 CO 0.04 1.38 -0.28 0.41 0.56 0.00 0.00 179.97 182.07 1iqr n GLY 234 N 1.80 -1.81 0.00 0.04 0.00 -0.59 -5.04 105.19 99.59 1iqr n GLY 234 Ca -0.21 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1iqr n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqr n GLY 235 N -2.49 1.19 0.32 -0.02 0.00 -1.26 -4.21 105.19 98.71 1iqr n GLY 235 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1iqr n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iqr h GLU 236 N 0.00 0.98 0.08 1.61 4.81 -1.96 -2.10 114.58 118.01 1iqr h GLU 236 Ca 0.00 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1iqr h GLU 236 Cb 0.00 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1iqr h GLU 236 CO 0.00 0.65 -0.23 0.78 -0.73 0.00 0.00 179.01 179.48 1iqr h GLY 237 N 1.01 -0.39 1.00 1.92 0.00 -1.79 -1.87 103.07 102.95 1iqr h GLY 237 Ca 0.37 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.97 1iqr h GLY 237 CO -0.16 -0.20 0.55 0.00 0.00 0.00 0.00 176.54 176.74 1iqr h ALA 238 N 0.40 1.06 -0.67 3.60 0.00 -1.67 -0.28 119.26 121.70 1iqr h ALA 238 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1iqr h ALA 238 Cb 0.44 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1iqr h ALA 238 CO -0.15 0.46 0.41 0.00 0.00 0.00 0.00 179.25 179.97 1iqr h ARG 239 N 1.13 0.77 -0.16 0.00 2.47 -1.11 -0.75 114.38 116.73 1iqr h ARG 239 Ca 0.31 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.87 1iqr h ARG 239 Cb -0.13 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.02 1iqr h ARG 239 CO -0.07 0.51 -0.33 -0.22 0.56 0.00 0.00 179.97 180.42 1iqr h LYS 240 N 0.80 0.51 -0.66 0.04 1.63 -0.92 -2.38 116.57 115.59 1iqr h LYS 240 Ca 0.28 -0.33 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1iqr h LYS 240 Cb 0.05 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1iqr h LYS 240 CO -0.12 0.94 0.19 2.35 -3.45 0.00 0.00 179.45 179.36 1iqr h TRP 241 N 0.14 1.07 -0.17 1.91 7.01 -0.90 -2.05 115.95 122.95 1iqr h TRP 241 Ca 0.00 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 60.82 1iqr h TRP 241 Cb 0.93 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1iqr h TRP 241 CO 0.10 0.87 -0.19 0.28 -2.79 0.00 0.00 178.44 176.71 1iqr h VAL 242 N 0.96 1.22 -0.54 2.65 2.07 -1.18 -1.70 116.25 119.73 1iqr h VAL 242 Ca 0.21 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1iqr h VAL 242 Cb 0.31 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1iqr h VAL 242 CO -0.00 0.31 0.36 0.00 0.02 0.00 0.00 177.57 178.26 1iqr h ALA 243 N 1.53 1.64 -0.12 1.67 0.00 -0.83 -0.87 119.26 122.29 1iqr h ALA 243 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1iqr h ALA 243 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iqr h ALA 243 CO 0.03 0.33 -0.63 0.93 0.00 0.00 0.00 179.25 179.91 1iqr h GLU 244 N 0.71 0.43 -0.45 0.00 4.39 -1.02 -2.24 114.58 116.41 1iqr h GLU 244 Ca 0.20 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1iqr h GLU 244 Cb -0.05 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1iqr h GLU 244 CO -0.05 0.93 0.12 -0.07 -1.16 0.00 0.00 179.01 178.78 1iqr h LEU 245 N 0.32 0.61 -1.12 1.33 3.38 -0.88 -0.98 115.31 117.97 1iqr h LEU 245 Ca -0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1iqr h LEU 245 Cb 1.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1iqr h LEU 245 CO 0.11 0.60 -0.25 -0.07 0.09 0.00 0.00 178.44 178.92 1iqr h LEU 246 N 0.65 0.31 -1.82 1.67 3.38 -0.82 -1.94 115.31 116.74 1iqr h LEU 246 Ca 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1iqr h LEU 246 Cb 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1iqr h LEU 246 CO -0.00 0.57 -0.11 -0.50 0.09 0.00 0.00 178.44 178.49 1iqr h TRP 247 N 0.28 0.00 -0.13 1.13 4.06 -0.59 0.19 115.95 120.88 1iqr h TRP 247 Ca 0.04 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.94 1iqr h TRP 247 Cb 0.60 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1iqr h TRP 247 CO 0.01 0.11 -0.13 -0.09 -3.56 0.00 0.00 178.44 174.77 1iqr h ARG 248 N 0.00 0.33 -0.26 0.49 2.43 -1.14 -1.82 114.38 114.41 1iqr h ARG 248 Ca -0.00 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1iqr h ARG 248 Cb 0.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1iqr h ARG 248 CO 0.01 0.72 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.67 1iqr h ASP 249 N -0.05 0.41 -0.29 -3.80 3.45 -1.14 -2.03 116.42 112.96 1iqr h ASP 249 Ca 0.02 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 1iqr h ASP 249 Cb 0.66 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 1iqr h ASP 249 CO 0.03 0.54 0.01 0.15 -1.57 0.00 0.00 179.24 178.40 1iqr h PHE 250 N 0.40 0.64 -0.64 4.55 3.57 -0.52 -0.30 116.94 124.64 1iqr h PHE 250 Ca 0.08 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1iqr h PHE 250 Cb 0.41 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1iqr h PHE 250 CO 0.01 0.61 0.24 0.77 -2.23 0.00 0.00 178.31 177.72 1iqr h SER 251 N 0.59 0.90 -0.24 0.41 0.02 -0.59 0.15 113.55 114.78 1iqr h SER 251 Ca 0.12 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 1iqr h SER 251 Cb 0.36 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1iqr h SER 251 CO 0.01 0.83 -0.52 1.88 -1.14 0.00 0.00 176.83 177.89 1iqr h TYR 252 N 0.91 1.03 -0.39 3.45 0.99 -1.22 -2.54 116.97 119.20 1iqr h TYR 252 Ca 0.21 -0.36 0.03 0.00 2.00 0.00 0.00 58.73 60.62 1iqr h TYR 252 Cb 0.23 -0.20 -0.03 0.00 1.00 0.00 0.00 36.73 37.72 1iqr h TYR 252 CO 0.01 1.17 0.18 1.25 -0.00 0.00 0.00 178.16 180.77 1iqr h HIS 253 N 0.64 0.33 0.42 4.88 2.76 -0.77 -0.88 115.15 122.54 1iqr h HIS 253 Ca 0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1iqr h HIS 253 Cb 1.12 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1iqr h HIS 253 CO 0.07 0.17 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.59 1iqr h LEU 254 N 0.37 -0.48 -1.51 0.26 3.38 -0.89 -1.73 115.31 114.71 1iqr h LEU 254 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1iqr h LEU 254 Cb 0.09 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1iqr h LEU 254 CO -0.13 -0.34 0.20 0.25 0.09 0.00 0.00 178.44 178.51 1iqr h LEU 255 N -0.57 0.46 -0.33 1.67 5.85 -1.35 0.44 115.31 121.47 1iqr h LEU 255 Ca -0.06 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1iqr h LEU 255 Cb 0.44 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1iqr h LEU 255 CO 0.10 0.39 -0.15 0.22 -0.34 0.00 0.00 178.44 178.65 1iqr h TYR 256 N 0.53 0.80 0.05 1.25 3.20 -0.96 -2.80 116.97 119.04 1iqr h TYR 256 Ca 0.14 -0.20 -0.27 0.00 3.14 0.00 0.00 58.73 61.54 1iqr h TYR 256 Cb 0.04 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1iqr h TYR 256 CO 0.00 0.90 -1.38 0.45 -1.64 0.00 0.00 178.16 176.49 1iqr h HIS 257 N 0.47 0.18 -2.26 -3.82 3.86 -0.96 -3.39 115.15 109.24 1iqr h HIS 257 Ca 0.08 -0.13 -0.60 0.00 -1.16 0.00 0.00 60.37 58.55 1iqr h HIS 257 Cb 0.69 -0.01 -0.42 0.00 1.06 0.00 0.00 27.41 28.73 1iqr h HIS 257 CO 0.06 1.15 -0.62 1.19 0.86 0.00 0.00 177.93 180.57 1iqr n PHE 258 N -3.32 3.37 -0.34 2.45 3.01 0.15 -4.92 117.46 117.86 1iqr n PHE 258 Ca -0.11 -4.13 0.11 0.00 1.01 0.00 0.00 57.45 54.33 1iqr n PHE 258 Cb 1.01 -0.55 0.30 0.00 -0.01 0.00 0.00 39.48 40.23 1iqr n PHE 258 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1iqr h PRO 259 N 4.27 0.81 0.00 -1.08 0.11 -1.70 -1.62 132.00 132.79 1iqr h PRO 259 Ca 0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1iqr h PRO 259 Cb 0.68 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1iqr h PRO 259 CO 0.80 0.54 0.00 -2.67 -0.21 0.00 0.00 178.00 176.46 1iqr n TRP 260 N -4.67 0.20 0.49 0.65 4.27 -1.26 -2.24 117.44 114.88 1iqr n TRP 260 Ca 0.21 0.10 0.08 0.00 -3.89 0.00 0.00 57.50 54.00 1iqr n TRP 260 Cb 0.48 -0.66 0.35 0.00 -1.36 0.00 0.00 31.31 30.12 1iqr n TRP 260 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iqr n MET 261 N -1.70 0.04 0.15 -2.67 0.00 -0.61 -0.53 117.12 111.79 1iqr n MET 261 Ca 0.01 0.28 0.02 0.00 0.00 0.00 0.00 57.70 58.01 1iqr n MET 261 Cb 0.06 -1.58 0.15 0.00 0.00 0.00 0.00 33.22 31.85 1iqr n MET 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1iqr h ALA 262 N 2.46 0.79 0.05 3.17 0.00 -1.68 -3.32 119.26 120.74 1iqr h ALA 262 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 1iqr h ALA 262 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1iqr h ALA 262 CO 0.00 0.67 -2.00 -1.91 0.00 0.00 0.00 179.25 176.01 1iqr n GLU 263 N -3.44 0.67 -4.17 0.00 2.13 -0.03 -5.03 120.64 110.76 1iqr n GLU 263 Ca 0.00 0.32 -0.10 0.00 0.66 0.00 0.00 57.16 58.04 1iqr n GLU 263 Cb 0.66 -1.65 -0.10 0.00 0.27 0.00 0.00 31.44 30.62 1iqr n GLU 263 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1iqr s ARG 264 N -2.50 0.89 0.55 5.31 1.70 0.31 -5.05 118.95 120.16 1iqr s ARG 264 Ca -0.29 -1.39 -0.21 0.00 -0.47 0.00 0.00 55.73 53.37 1iqr s ARG 264 Cb 0.08 -0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1iqr s ARG 264 CO 0.65 -0.13 1.21 -2.30 -1.08 0.00 0.00 175.30 173.65 1iqr n PRO 265 N -0.08 1.42 -0.28 3.89 -0.02 -1.26 -3.96 135.00 134.71 1iqr n PRO 265 Ca -0.09 0.53 -0.04 0.00 -2.02 0.00 0.00 63.50 61.88 1iqr n PRO 265 Cb 0.62 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1iqr n PRO 265 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1iqr h LEU 266 N 1.17 1.04 -8.63 2.45 3.38 -1.81 -3.38 115.31 109.52 1iqr h LEU 266 Ca -0.49 -0.12 -0.60 0.00 0.09 0.00 0.00 57.88 56.75 1iqr h LEU 266 Cb 1.33 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1iqr h LEU 266 CO 0.55 0.87 0.56 -0.62 0.09 0.00 0.00 178.44 179.89 1iqr s ASP 267 N -6.34 6.46 0.37 -0.43 2.15 -0.89 -4.94 116.67 113.04 1iqr s ASP 267 Ca -0.12 0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.02 1iqr s ASP 267 Cb 0.16 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 41.34 1iqr s ASP 267 CO 0.82 -1.07 1.78 -0.65 -0.17 0.00 0.00 175.17 175.88 1iqr h PRO 268 N 9.12 0.48 -1.49 4.34 0.11 -1.90 -2.59 132.00 140.06 1iqr h PRO 268 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1iqr h PRO 268 Cb 1.08 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1iqr h PRO 268 CO 1.03 0.32 0.00 2.89 -0.21 0.00 0.00 178.00 182.03 1iqr n ARG 269 N -4.67 0.54 0.00 1.05 1.85 -1.26 -1.01 116.66 113.16 1iqr n ARG 269 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 1iqr n ARG 269 Cb 0.77 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 1iqr n ARG 269 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1iqr n PHE 270 N 0.79 0.00 0.11 2.89 3.01 -0.98 -4.87 117.46 118.41 1iqr n PHE 270 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.64 1iqr n PHE 270 Cb 0.27 0.01 0.75 0.00 -0.01 0.00 0.00 39.48 40.50 1iqr n PHE 270 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1iqr h GLN 271 N 0.00 0.00 -1.75 -1.08 4.20 -1.21 -2.74 115.11 112.54 1iqr h GLN 271 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1iqr h GLN 271 Cb 0.36 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.72 1iqr h GLN 271 CO 0.00 0.00 -0.77 0.00 -0.67 0.00 0.00 178.83 177.39 1iqr n ALA 272 N -2.46 4.63 -1.92 3.87 0.00 -1.26 -4.99 120.51 118.38 1iqr n ALA 272 Ca 0.05 -4.29 -0.39 0.00 0.00 0.00 0.00 53.44 48.81 1iqr n ALA 272 Cb 0.47 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 1iqr n ALA 272 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1iqr s PHE 273 N -3.42 3.85 -0.75 0.00 5.36 -1.04 -4.94 117.98 117.05 1iqr s PHE 273 Ca 0.46 1.68 -0.20 0.00 -0.96 0.00 0.00 56.93 57.91 1iqr s PHE 273 Cb 0.36 -2.81 -0.15 0.00 -0.34 0.00 0.00 43.02 40.08 1iqr s PHE 273 CO -0.15 0.43 1.92 -0.35 -1.46 0.00 0.00 175.22 175.61 1iqr n PRO 274 N 1.27 1.50 -2.09 10.12 -0.04 -1.26 -4.91 135.00 139.58 1iqr n PRO 274 Ca -0.03 -1.76 -0.43 0.00 -0.04 0.00 0.00 63.50 61.24 1iqr n PRO 274 Cb 0.49 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1iqr n PRO 274 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1iqr s TRP 275 N 4.90 2.02 -0.66 0.54 0.23 -1.26 -4.94 118.94 119.76 1iqr s TRP 275 Ca 0.55 0.57 -0.23 0.00 -2.03 0.00 0.00 56.10 54.96 1iqr s TRP 275 Cb 0.14 -4.06 0.07 0.00 0.03 0.00 0.00 33.47 29.64 1iqr s TRP 275 CO 0.11 -2.89 0.99 -0.65 0.96 0.00 0.00 176.95 175.47 1iqr s GLN 276 N 5.02 3.12 -0.93 4.98 -0.21 -1.03 -4.82 119.66 125.80 1iqr s GLN 276 Ca 0.74 -0.79 -0.24 0.00 0.02 0.00 0.00 55.36 55.09 1iqr s GLN 276 Cb -0.23 -4.22 0.05 0.00 1.00 0.00 0.00 33.01 29.60 1iqr s GLN 276 CO 0.31 -1.84 1.37 -2.00 -2.12 0.00 0.00 175.29 171.01 1iqr s GLU 277 N 4.19 3.46 -0.39 2.91 2.56 -1.26 -4.37 118.70 125.80 1iqr s GLU 277 Ca 0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 54.97 54.25 1iqr s GLU 277 Cb -0.16 -4.97 0.09 0.00 2.00 0.00 0.00 34.13 31.09 1iqr s GLU 277 CO 0.11 -2.15 0.17 0.34 -0.56 0.00 0.00 175.26 173.17 1iqr s ASP 278 N 4.51 5.26 0.42 -1.70 -1.08 -1.26 -4.97 116.67 117.85 1iqr s ASP 278 Ca 0.41 -1.77 0.23 0.00 -0.52 0.00 0.00 52.55 50.90 1iqr s ASP 278 Cb -0.03 -1.84 1.21 0.00 -1.46 0.00 0.00 42.92 40.81 1iqr s ASP 278 CO -0.02 -0.48 1.75 -0.08 0.52 0.00 0.00 175.17 176.85 1iqr h GLU 279 N 8.11 0.28 -0.32 4.34 4.57 -2.00 -0.34 114.58 129.23 1iqr h GLU 279 Ca -0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1iqr h GLU 279 Cb 1.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1iqr h GLU 279 CO 0.68 0.19 0.11 0.00 -1.18 0.00 0.00 179.01 178.80 1iqr h ALA 280 N 1.59 0.41 -0.39 2.92 0.00 -2.01 -2.83 119.26 118.96 1iqr h ALA 280 Ca 0.63 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1iqr h ALA 280 Cb 1.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1iqr h ALA 280 CO -0.28 0.04 -0.23 -0.07 0.00 0.00 0.00 179.25 178.71 1iqr h LEU 281 N 0.36 0.88 -0.65 0.00 3.38 -1.53 -2.96 115.31 114.79 1iqr h LEU 281 Ca 0.10 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.78 1iqr h LEU 281 Cb 0.23 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 1iqr h LEU 281 CO -0.00 1.11 0.18 0.15 0.09 0.00 0.00 178.44 179.96 1iqr h PHE 282 N 0.66 0.29 -0.58 1.13 3.57 -1.23 -0.89 116.94 119.88 1iqr h PHE 282 Ca 0.08 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1iqr h PHE 282 Cb 0.80 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1iqr h PHE 282 CO 0.06 -0.01 0.02 1.96 -2.23 0.00 0.00 178.31 178.10 1iqr h GLN 283 N 0.31 1.02 -0.36 1.11 1.08 -1.49 0.32 115.11 117.10 1iqr h GLN 283 Ca 0.35 -0.32 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1iqr h GLN 283 Cb 0.53 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 1iqr h GLN 283 CO -0.42 1.00 0.04 0.00 -0.95 0.00 0.00 178.83 178.51 1iqr h ALA 284 N 0.98 0.36 0.22 3.87 0.00 -1.06 0.39 119.26 124.02 1iqr h ALA 284 Ca 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1iqr h ALA 284 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iqr h ALA 284 CO 0.03 -0.36 -0.11 2.35 0.00 0.00 0.00 179.25 181.16 1iqr h TRP 285 N 0.15 -0.27 -0.84 0.00 7.01 -0.97 1.70 115.95 122.73 1iqr h TRP 285 Ca 0.17 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.31 1iqr h TRP 285 Cb 0.22 0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.27 1iqr h TRP 285 CO -0.21 0.07 0.43 -0.92 -2.79 0.00 0.00 178.44 175.02 1iqr h TYR 286 N -0.66 0.76 -0.00 2.65 3.20 -0.06 0.24 116.97 123.10 1iqr h TYR 286 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iqr h TYR 286 Cb 0.47 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1iqr h TYR 286 CO 0.03 0.18 -0.30 0.39 -1.64 0.00 0.00 178.16 176.83 1iqr n GLU 287 N -4.87 0.47 -2.78 1.82 -0.58 0.13 -4.93 120.64 109.89 1iqr n GLU 287 Ca 0.17 -0.24 -0.09 0.00 -0.42 0.00 0.00 57.16 56.58 1iqr n GLU 287 Cb 0.43 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1iqr n GLU 287 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iqr n GLY 288 N 1.39 0.19 2.31 0.62 0.00 0.07 -4.72 105.19 105.06 1iqr n GLY 288 Ca 0.10 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1iqr n GLY 288 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqr n LYS 289 N -2.39 3.22 0.02 1.61 4.76 0.56 -4.53 118.16 121.40 1iqr n LYS 289 Ca -0.07 -4.19 0.12 0.00 -2.87 0.00 0.00 58.31 51.30 1iqr n LYS 289 Cb 0.55 -2.14 0.17 0.00 -1.84 0.00 0.00 35.03 31.77 1iqr n LYS 289 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iqr n THR 290 N -0.56 0.12 -0.12 -0.18 -2.24 -1.22 -4.77 114.28 105.31 1iqr n THR 290 Ca 0.37 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1iqr n THR 290 Cb 0.82 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1iqr n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqr n GLY 291 N 1.43 1.48 3.54 3.38 0.00 -1.26 -0.54 105.19 113.22 1iqr n GLY 291 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1iqr n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqr s VAL 292 N -2.67 4.87 0.17 1.61 1.01 -1.26 -2.94 120.40 121.18 1iqr s VAL 292 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 1iqr s VAL 292 Cb 0.00 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1iqr s VAL 292 CO 0.00 -0.46 1.40 -2.65 0.00 0.00 0.00 175.10 173.39 1iqr n PRO 293 N 6.13 -0.33 0.34 2.72 -0.02 -1.26 -0.97 135.00 141.61 1iqr n PRO 293 Ca -0.02 1.38 -0.16 0.00 -2.02 0.00 0.00 63.50 62.68 1iqr n PRO 293 Cb 0.48 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 1iqr n PRO 293 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1iqr h LEU 294 N 0.00 -1.02 -0.32 2.45 5.85 -1.90 -1.23 115.31 119.13 1iqr h LEU 294 Ca 0.21 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1iqr h LEU 294 Cb 0.43 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1iqr h LEU 294 CO -0.87 -0.61 -0.03 0.58 -0.34 0.00 0.00 178.44 177.18 1iqr h VAL 295 N -0.96 0.73 -0.84 1.05 2.07 -1.85 -0.40 116.25 116.04 1iqr h VAL 295 Ca -0.08 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1iqr h VAL 295 Cb 0.78 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1iqr h VAL 295 CO 0.07 0.01 0.55 0.44 0.02 0.00 0.00 177.57 178.66 1iqr h ASP 296 N 0.06 0.86 -0.32 0.57 5.19 -1.06 -0.72 116.42 121.01 1iqr h ASP 296 Ca 0.16 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.50 1iqr h ASP 296 Cb 0.22 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1iqr h ASP 296 CO -0.29 0.58 -0.06 0.00 -3.12 0.00 0.00 179.24 176.35 1iqr h ALA 297 N 1.53 0.43 0.12 3.45 0.00 -0.19 -2.10 119.26 122.50 1iqr h ALA 297 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1iqr h ALA 297 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iqr h ALA 297 CO -0.11 0.25 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 1iqr h ALA 298 N 0.81 -0.16 -0.10 0.00 0.00 -0.46 -1.52 119.26 117.81 1iqr h ALA 298 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1iqr h ALA 298 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1iqr h ALA 298 CO 0.03 -0.54 -0.14 0.52 0.00 0.00 0.00 179.25 179.11 1iqr h MET 299 N -0.26 0.16 -0.19 0.00 2.07 -1.19 -0.48 114.93 115.04 1iqr h MET 299 Ca -0.02 -0.03 -0.19 0.00 -2.07 0.00 0.00 59.70 57.39 1iqr h MET 299 Cb 0.21 -0.02 0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1iqr h MET 299 CO 0.03 0.31 -0.62 0.00 1.07 0.00 0.00 176.91 177.70 1iqr h ARG 300 N 0.15 0.76 -0.42 1.72 3.08 -1.21 -1.71 114.38 116.75 1iqr h ARG 300 Ca 0.03 -0.56 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1iqr h ARG 300 Cb 0.35 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1iqr h ARG 300 CO 0.02 1.18 -0.05 1.49 -1.07 0.00 0.00 179.97 181.54 1iqr h GLU 301 N 0.49 0.78 -0.52 0.04 4.81 -0.96 -2.13 114.58 117.09 1iqr h GLU 301 Ca -0.02 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1iqr h GLU 301 Cb 1.24 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1iqr h GLU 301 CO 0.13 0.88 0.25 1.25 -0.73 0.00 0.00 179.01 180.79 1iqr h LEU 302 N 0.60 0.34 -0.84 1.64 5.85 -1.04 0.55 115.31 122.41 1iqr h LEU 302 Ca 0.11 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1iqr h LEU 302 Cb 0.56 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1iqr h LEU 302 CO 0.03 0.23 -0.06 0.45 -0.34 0.00 0.00 178.44 178.76 1iqr h HIS 303 N 0.48 0.88 0.05 1.25 3.86 -1.22 -0.09 115.15 120.37 1iqr h HIS 303 Ca 0.24 -0.14 -0.26 0.00 -1.16 0.00 0.00 60.37 59.04 1iqr h HIS 303 Cb 0.17 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1iqr h HIS 303 CO -0.11 0.84 -1.30 0.00 0.86 0.00 0.00 177.93 178.21 1iqr h ALA 304 N 1.19 0.37 0.00 2.45 0.00 -0.74 -3.41 119.26 119.12 1iqr h ALA 304 Ca 0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 54.91 53.93 1iqr h ALA 304 Cb 0.53 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1iqr h ALA 304 CO 0.03 1.24 -1.30 0.25 0.00 0.00 0.00 179.25 179.47 1iqr n THR 305 N -3.35 0.20 -0.92 0.00 -2.24 0.19 -4.70 114.28 103.46 1iqr n THR 305 Ca -0.09 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1iqr n THR 305 Cb 1.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1iqr n THR 305 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqr n GLY 306 N 2.50 0.52 3.01 3.38 0.00 -0.05 -4.90 105.19 109.65 1iqr n GLY 306 Ca -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1iqr n GLY 306 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iqr s PHE 307 N -2.00 0.40 -0.22 1.61 5.36 -1.26 -1.50 117.98 120.37 1iqr s PHE 307 Ca 0.00 -0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 55.30 1iqr s PHE 307 Cb 0.00 -0.26 0.06 0.00 -0.34 0.00 0.00 43.02 42.48 1iqr s PHE 307 CO 0.00 -0.15 0.55 -1.17 -1.46 0.00 0.00 175.22 172.99 1iqr s LEU 308 N -1.50 -0.40 0.93 6.12 2.96 -1.26 -4.15 118.68 121.38 1iqr s LEU 308 Ca -0.14 1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 1iqr s LEU 308 Cb -0.10 1.87 0.11 0.00 0.50 0.00 0.00 46.19 48.57 1iqr s LEU 308 CO -0.01 -0.21 0.88 -1.54 -1.32 0.00 0.00 176.35 174.16 1iqr n SER 309 N 3.83 -0.52 -0.33 3.68 3.41 -1.26 -4.73 113.62 117.70 1iqr n SER 309 Ca -0.19 0.39 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 1iqr n SER 309 Cb 0.57 -1.38 0.08 0.00 -0.26 0.00 0.00 64.21 63.22 1iqr n SER 309 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1iqr h ASN 310 N -1.75 1.08 -0.46 4.04 -1.24 -1.90 -1.68 115.58 113.67 1iqr h ASN 310 Ca -0.43 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 56.47 1iqr h ASN 310 Cb 1.28 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.03 1iqr h ASN 310 CO 0.39 0.85 0.18 -0.09 -1.29 0.00 0.00 177.43 177.47 1iqr h ARG 311 N 1.22 0.69 -0.55 6.67 9.65 -1.86 -1.93 114.38 128.26 1iqr h ARG 311 Ca 0.31 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1iqr h ARG 311 Cb -0.01 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1iqr h ARG 311 CO -0.05 0.63 0.28 0.00 2.80 0.00 0.00 179.97 183.63 1iqr h ALA 312 N 1.03 0.71 -0.76 2.80 0.00 -1.73 -2.48 119.26 118.82 1iqr h ALA 312 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iqr h ALA 312 Cb 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1iqr h ALA 312 CO -0.01 0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.96 1iqr h ARG 313 N 0.74 1.02 0.00 0.00 3.08 -1.07 0.03 114.38 118.17 1iqr h ARG 313 Ca 0.19 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1iqr h ARG 313 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1iqr h ARG 313 CO -0.03 0.71 -0.19 0.00 -1.07 0.00 0.00 179.97 179.39 1iqr h MET 314 N 1.03 0.00 0.03 0.04 -0.00 -1.19 -0.75 114.93 114.09 1iqr h MET 314 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.97 1iqr h MET 314 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 1iqr h MET 314 CO -0.05 0.19 -0.01 -0.91 -0.00 0.00 0.00 176.91 176.12 1iqr h ASN 315 N 0.00 -0.03 -0.29 -0.10 2.35 -0.92 -2.60 115.58 113.98 1iqr h ASN 315 Ca -0.00 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1iqr h ASN 315 Cb 0.67 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1iqr h ASN 315 CO 0.02 0.62 0.20 0.00 -1.65 0.00 0.00 177.43 176.62 1iqr h ALA 316 N -0.65 1.85 -0.01 -0.83 0.00 -1.04 -1.36 119.26 117.22 1iqr h ALA 316 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1iqr h ALA 316 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iqr h ALA 316 CO 0.01 0.12 -0.17 0.00 0.00 0.00 0.00 179.25 179.20 1iqr h ALA 317 N 1.82 0.03 -0.35 0.00 0.00 -1.25 -3.20 119.26 116.32 1iqr h ALA 317 Ca 0.11 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1iqr h ALA 317 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iqr h ALA 317 CO -0.02 0.02 -0.18 0.37 0.00 0.00 0.00 179.25 179.44 1iqr h GLN 318 N -0.54 0.65 -0.41 0.00 4.15 -1.32 -2.88 115.11 114.76 1iqr h GLN 318 Ca -0.02 -0.23 0.08 0.00 0.77 0.00 0.00 58.65 59.25 1iqr h GLN 318 Cb 0.91 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.48 1iqr h GLN 318 CO 0.03 0.79 -0.01 0.35 -1.93 0.00 0.00 178.83 178.07 1iqr h PHE 319 N 0.58 -0.04 -0.69 3.99 3.57 -1.34 0.26 116.94 123.28 1iqr h PHE 319 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1iqr h PHE 319 Cb 0.63 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1iqr h PHE 319 CO 0.03 -0.09 0.33 0.00 -2.23 0.00 0.00 178.31 176.34 1iqr h ALA 320 N 1.37 1.27 0.03 2.41 0.00 -1.50 -1.25 119.26 121.59 1iqr h ALA 320 Ca 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1iqr h ALA 320 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iqr h ALA 320 CO -0.34 0.56 -0.38 0.28 0.00 0.00 0.00 179.25 179.37 1iqr h VAL 321 N 0.98 1.60 0.17 0.00 2.07 -1.15 0.02 116.25 119.93 1iqr h VAL 321 Ca 0.24 -2.36 -0.33 0.00 0.82 0.00 0.00 66.70 65.06 1iqr h VAL 321 Cb 0.11 3.18 0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1iqr h VAL 321 CO -0.03 0.59 -1.68 0.11 0.02 0.00 0.00 177.57 176.58 1iqr h LYS 322 N -0.86 0.35 0.00 1.57 1.57 -0.59 -3.09 116.57 115.53 1iqr h LYS 322 Ca -0.09 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.08 1iqr h LYS 322 Cb 1.19 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1iqr h LYS 322 CO 0.00 1.29 -0.16 0.45 -0.57 0.00 0.00 179.45 180.46 1iqr h HIS 323 N 0.00 0.00 0.00 -1.35 3.86 -1.36 -3.38 115.15 112.92 1iqr h HIS 323 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1iqr h HIS 323 Cb 2.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.48 1iqr h HIS 323 CO 0.11 0.11 -0.03 1.28 0.86 0.00 0.00 177.93 180.26 1iqr n LEU 324 N -4.72 0.12 -1.07 2.43 4.77 -0.85 -4.89 117.00 112.80 1iqr n LEU 324 Ca -0.03 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1iqr n LEU 324 Cb 0.12 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1iqr n LEU 324 CO 0.06 -0.01 -0.12 0.18 -1.33 0.00 0.00 177.39 176.16 1iqr n LEU 325 N -1.58 -0.67 -4.78 2.23 4.77 -0.97 -4.80 117.00 111.20 1iqr n LEU 325 Ca 0.07 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 1iqr n LEU 325 Cb 0.35 -2.55 -0.01 0.00 -2.33 0.00 0.00 43.42 38.89 1iqr n LEU 325 CO 0.28 -0.97 1.11 -0.76 -1.33 0.00 0.00 177.39 175.73 1iqr s LEU 326 N -3.10 4.34 0.18 2.23 1.43 -0.05 -2.46 118.68 121.25 1iqr s LEU 326 Ca 0.00 2.98 -0.32 0.00 -1.03 0.00 0.00 54.13 55.75 1iqr s LEU 326 Cb 0.00 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 1iqr s LEU 326 CO 0.00 -0.81 1.72 -0.81 0.23 0.00 0.00 176.35 176.68 1iqr n PRO 327 N 0.64 2.64 -0.32 1.29 -0.04 -1.26 -4.44 135.00 133.50 1iqr n PRO 327 Ca 0.01 0.95 -0.03 0.00 -0.04 0.00 0.00 63.50 64.40 1iqr n PRO 327 Cb 0.40 -2.79 0.09 0.00 -0.04 0.00 0.00 33.50 31.15 1iqr n PRO 327 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1iqr h TRP 328 N 6.99 1.09 -0.45 0.54 5.08 -1.93 -3.01 115.95 124.24 1iqr h TRP 328 Ca -0.44 0.03 0.09 0.00 1.08 0.00 0.00 58.89 59.65 1iqr h TRP 328 Cb 1.22 -0.37 -0.09 0.00 -3.00 0.00 0.00 29.16 26.92 1iqr h TRP 328 CO 0.67 0.68 -0.16 0.87 -1.28 0.00 0.00 178.44 179.21 1iqr h LYS 329 N 1.17 -0.06 -0.34 0.12 1.57 -1.96 0.30 116.57 117.36 1iqr h LYS 329 Ca 0.33 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1iqr h LYS 329 Cb -0.11 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1iqr h LYS 329 CO -0.08 -0.04 -0.12 -0.09 -0.57 0.00 0.00 179.45 178.55 1iqr h ARG 330 N -0.06 0.68 -0.63 3.15 2.43 -1.96 -2.85 114.38 115.15 1iqr h ARG 330 Ca 0.22 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1iqr h ARG 330 Cb 0.40 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1iqr h ARG 330 CO -0.50 0.87 0.19 0.00 -1.51 0.00 0.00 179.97 179.02 1iqr h GLU 332 N 0.92 0.69 -0.22 0.00 -0.00 -0.39 -1.04 114.58 114.53 1iqr h GLU 332 Ca 0.21 -0.34 -0.04 0.00 -0.00 0.00 0.00 59.36 59.19 1iqr h GLU 332 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.01 1iqr h GLU 332 CO -0.01 0.95 -0.02 1.49 -0.00 0.00 0.00 179.01 181.42 1iqr h GLU 333 N 0.57 0.40 -0.50 1.06 4.57 -1.37 -1.54 114.58 117.77 1iqr h GLU 333 Ca 0.05 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1iqr h GLU 333 Cb 0.89 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1iqr h GLU 333 CO 0.08 0.61 0.13 0.00 -1.18 0.00 0.00 179.01 178.66 1iqr h ALA 334 N 0.77 1.30 -0.05 2.92 0.00 -1.38 -2.05 119.26 120.78 1iqr h ALA 334 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iqr h ALA 334 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iqr h ALA 334 CO 0.02 0.50 0.01 0.35 0.00 0.00 0.00 179.25 180.12 1iqr h PHE 335 N 0.73 0.08 -0.93 0.00 3.57 -1.04 -3.13 116.94 116.21 1iqr h PHE 335 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1iqr h PHE 335 Cb 0.25 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1iqr h PHE 335 CO 0.01 0.31 0.61 -0.09 -2.23 0.00 0.00 178.31 176.92 1iqr h ARG 336 N -0.16 1.16 0.00 1.11 2.43 -1.02 -2.21 114.38 115.69 1iqr h ARG 336 Ca 0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1iqr h ARG 336 Cb 0.27 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1iqr h ARG 336 CO 0.00 0.77 -0.01 0.45 -1.51 0.00 0.00 179.97 179.67 1iqr h HIS 337 N 1.19 0.00 0.00 2.20 3.86 -1.34 -2.41 115.15 118.66 1iqr h HIS 337 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1iqr h HIS 337 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1iqr h HIS 337 CO -0.01 0.01 -0.85 1.28 0.86 0.00 0.00 177.93 179.22 1iqr n LEU 338 N -3.12 0.67 -4.71 2.43 4.77 -0.84 -4.72 117.00 111.47 1iqr n LEU 338 Ca -0.01 -0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.45 1iqr n LEU 338 Cb 0.18 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1iqr n LEU 338 CO 0.24 0.12 0.11 -0.76 -1.33 0.00 0.00 177.39 175.76 1iqr s LEU 339 N -3.39 4.23 0.44 2.23 1.43 -0.91 -4.30 118.68 118.42 1iqr s LEU 339 Ca 0.07 0.65 0.15 0.00 -1.03 0.00 0.00 54.13 53.98 1iqr s LEU 339 Cb 0.16 -2.56 0.98 0.00 0.03 0.00 0.00 46.19 44.79 1iqr s LEU 339 CO 0.79 0.00 1.96 -0.07 0.23 0.00 0.00 176.35 179.26 1iqr h LEU 340 N 6.97 0.00 -2.95 1.79 3.38 -1.57 -0.94 115.31 121.99 1iqr h LEU 340 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1iqr h LEU 340 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1iqr h LEU 340 CO 0.75 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.60 1iqr n ASP 341 N -4.18 4.53 -4.55 -0.43 3.85 -1.26 -4.81 116.55 109.69 1iqr n ASP 341 Ca -0.02 -2.39 -0.56 0.00 -0.71 0.00 0.00 54.79 51.11 1iqr n ASP 341 Cb 0.29 -0.56 -0.08 0.00 -1.35 0.00 0.00 41.12 39.42 1iqr n ASP 341 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iqr n GLY 342 N 1.16 0.59 2.80 6.12 0.00 -0.36 -4.84 105.19 110.65 1iqr n GLY 342 Ca 0.25 0.96 -0.26 0.00 0.00 0.00 0.00 46.02 46.97 1iqr n GLY 342 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqr s ASP 343 N 5.25 2.35 0.17 1.61 -1.08 -1.26 -5.06 116.67 118.64 1iqr s ASP 343 Ca 1.06 -0.47 -0.27 0.00 -0.52 0.00 0.00 52.55 52.35 1iqr s ASP 343 Cb -1.06 -0.65 0.02 0.00 -1.46 0.00 0.00 42.92 39.77 1iqr s ASP 343 CO 0.60 -0.22 1.56 -0.09 0.52 0.00 0.00 175.17 177.55 1iqr h ARG 344 N 8.24 -0.22 -0.34 4.34 2.43 -1.98 0.12 114.38 126.96 1iqr h ARG 344 Ca -0.21 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1iqr h ARG 344 Cb 1.12 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1iqr h ARG 344 CO 0.33 -0.15 0.19 0.00 -1.51 0.00 0.00 179.97 178.84 1iqr h ALA 345 N 0.55 0.44 -0.43 2.80 0.00 -1.97 -1.44 119.26 119.21 1iqr h ALA 345 Ca 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1iqr h ALA 345 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iqr h ALA 345 CO -0.70 -0.04 -0.11 0.28 0.00 0.00 0.00 179.25 178.67 1iqr h VAL 346 N 0.43 1.27 -0.67 0.00 2.07 -1.74 -2.15 116.25 115.48 1iqr h VAL 346 Ca 0.12 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1iqr h VAL 346 Cb 0.04 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1iqr h VAL 346 CO -0.02 0.41 0.10 -1.13 0.02 0.00 0.00 177.57 176.95 1iqr h ASN 347 N 0.66 1.07 -0.64 0.57 -1.24 -0.72 -1.16 115.58 114.13 1iqr h ASN 347 Ca 0.11 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.79 1iqr h ASN 347 Cb 0.65 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1iqr h ASN 347 CO 0.04 1.06 0.17 0.25 -1.29 0.00 0.00 177.43 177.67 1iqr h LEU 348 N 1.03 0.97 -0.30 0.34 5.85 -1.17 -0.18 115.31 121.86 1iqr h LEU 348 Ca 0.20 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1iqr h LEU 348 Cb 0.46 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1iqr h LEU 348 CO 0.01 0.93 -0.24 0.06 -0.34 0.00 0.00 178.44 178.86 1iqr h GLN 349 N 0.99 0.69 -0.86 1.25 -0.00 -1.17 -1.43 115.11 114.57 1iqr h GLN 349 Ca 0.21 -0.34 0.04 0.00 -0.00 0.00 0.00 58.65 58.56 1iqr h GLN 349 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.76 1iqr h GLN 349 CO -0.00 0.95 0.55 0.78 -0.00 0.00 0.00 178.83 181.11 1iqr h GLY 350 N 0.43 1.26 0.93 0.06 0.00 -0.85 0.44 103.07 105.35 1iqr h GLY 350 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1iqr h GLY 350 CO 0.06 0.35 -0.45 1.49 0.00 0.00 0.00 176.54 178.00 1iqr h TRP 351 N 1.07 0.78 0.00 5.60 4.06 -0.95 0.24 115.95 126.74 1iqr h TRP 351 Ca 0.35 -0.30 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1iqr h TRP 351 Cb 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1iqr h TRP 351 CO -0.02 1.07 0.00 1.04 -3.56 0.00 0.00 178.44 176.97 1iqr n GLN 352 N -4.22 0.11 -0.10 0.49 6.02 -0.55 -0.47 117.38 118.66 1iqr n GLN 352 Ca -0.06 0.30 -0.19 0.00 -0.01 0.00 0.00 57.00 57.04 1iqr n GLN 352 Cb 0.56 -1.69 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 1iqr n GLN 352 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1iqr n TRP 353 N -1.90 0.72 0.37 1.08 -0.00 0.12 -0.27 117.44 117.57 1iqr n TRP 353 Ca 0.03 0.31 0.13 0.00 -0.00 0.00 0.00 57.50 57.98 1iqr n TRP 353 Cb 0.24 -0.96 0.54 0.00 -0.00 0.00 0.00 31.31 31.13 1iqr n TRP 353 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1iqr h ALA 354 N -0.75 1.00 -0.66 5.87 0.00 -0.94 -2.44 119.26 121.34 1iqr h ALA 354 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1iqr h ALA 354 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iqr h ALA 354 CO -0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1iqr n GLY 355 N 0.05 2.63 3.88 0.00 0.00 0.38 -4.26 105.19 107.88 1iqr n GLY 355 Ca 0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1iqr n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqr n GLY 356 N 1.35 -0.31 1.12 -0.02 0.00 -0.92 -4.88 105.19 101.53 1iqr n GLY 356 Ca 0.24 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1iqr n GLY 356 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iqr n LEU 357 N -4.40 3.44 0.00 0.99 4.77 0.63 -4.70 117.00 117.74 1iqr n LEU 357 Ca -0.22 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1iqr n LEU 357 Cb 0.64 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1iqr n LEU 357 CO 0.74 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 1iqr n GLY 358 N 1.40 1.68 3.74 -0.72 0.00 -1.18 -2.11 105.19 108.00 1iqr n GLY 358 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1iqr n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqr s VAL 359 N -1.27 3.05 -1.10 1.61 1.01 -1.22 -2.50 120.40 119.97 1iqr s VAL 359 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1iqr s VAL 359 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1iqr s VAL 359 CO 0.00 0.12 0.00 -0.67 0.00 0.00 0.00 175.10 174.55 1iqr n ASP 360 N 2.68 -4.01 -3.75 3.32 4.64 -0.79 -1.26 116.55 117.37 1iqr n ASP 360 Ca 0.07 0.19 -0.27 0.00 -1.38 0.00 0.00 54.79 53.39 1iqr n ASP 360 Cb 0.42 -3.41 -0.04 0.00 -1.04 0.00 0.00 41.12 37.05 1iqr n ASP 360 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1iqr n ALA 361 N -2.14 -1.13 -1.83 -1.67 0.00 -1.04 -4.83 120.51 107.86 1iqr n ALA 361 Ca -0.15 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 1iqr n ALA 361 Cb 0.61 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 1iqr n ALA 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqr s ALA 362 N -2.85 3.64 0.19 0.00 0.00 -0.39 -4.95 121.76 117.40 1iqr s ALA 362 Ca 0.52 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1iqr s ALA 362 Cb -0.30 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 1iqr s ALA 362 CO 0.64 -0.82 1.29 -1.25 0.00 0.00 0.00 175.76 175.62 1iqr s PRO 363 N -0.67 4.41 0.27 0.00 0.04 -1.26 -4.66 135.00 133.13 1iqr s PRO 363 Ca 0.59 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1iqr s PRO 363 Cb -0.44 -3.21 0.38 0.00 0.04 0.00 0.00 34.50 31.27 1iqr s PRO 363 CO 0.47 -0.23 1.72 0.10 0.04 0.00 0.00 177.00 179.10 1iqr h TYR 364 N 5.42 0.64 0.00 0.56 -0.00 -1.92 -2.95 116.97 118.72 1iqr h TYR 364 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 58.73 58.16 1iqr h TYR 364 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.78 1iqr h TYR 364 CO 0.62 0.73 0.00 1.97 -0.00 0.00 0.00 178.16 181.49 1iqr n PHE 365 N -4.14 0.00 -2.72 0.10 1.16 -1.26 -4.51 117.46 106.09 1iqr n PHE 365 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.16 1iqr n PHE 365 Cb 0.38 -0.49 -0.03 0.00 -1.61 0.00 0.00 39.48 37.74 1iqr n PHE 365 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1iqr s ARG 366 N -2.97 4.26 -0.10 3.97 6.06 -1.12 -5.01 118.95 124.05 1iqr s ARG 366 Ca 0.00 1.27 -0.02 0.00 -2.50 0.00 0.00 55.73 54.48 1iqr s ARG 366 Cb 0.00 -3.63 0.03 0.00 0.06 0.00 0.00 34.95 31.42 1iqr s ARG 366 CO 0.00 -0.57 0.00 0.08 -2.50 0.00 0.00 175.30 172.32 1iqr s VAL 367 N 2.97 0.46 0.51 7.11 1.01 -1.26 -5.00 120.40 126.20 1iqr s VAL 367 Ca 0.42 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1iqr s VAL 367 Cb -0.15 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1iqr s VAL 367 CO 0.08 0.16 1.28 -0.36 0.00 0.00 0.00 175.10 176.26 1iqr s PHE 368 N 1.93 2.52 -0.58 5.22 0.08 -1.26 -4.98 117.98 120.91 1iqr s PHE 368 Ca 0.04 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.41 1iqr s PHE 368 Cb -0.13 -3.64 0.15 0.00 -0.57 0.00 0.00 43.02 38.83 1iqr s PHE 368 CO -0.06 -2.35 0.48 1.21 -0.10 0.00 0.00 175.22 174.40 1iqr s ASN 369 N -1.11 6.01 0.32 1.36 3.84 -1.26 -4.97 114.94 119.13 1iqr s ASN 369 Ca 0.68 -2.13 0.23 0.00 0.21 0.00 0.00 52.86 51.86 1iqr s ASN 369 Cb -0.36 -2.09 1.08 0.00 -0.55 0.00 0.00 41.25 39.33 1iqr s ASN 369 CO 0.43 -0.69 1.14 -2.65 -2.79 0.00 0.00 177.10 172.53 1iqr n PRO 370 N 4.68 -0.03 -0.08 0.43 -0.02 -1.26 -0.50 135.00 138.23 1iqr n PRO 370 Ca -0.04 0.92 -0.22 0.00 -2.02 0.00 0.00 63.50 62.14 1iqr n PRO 370 Cb 0.41 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 1iqr n PRO 370 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1iqr n VAL 371 N -4.16 1.59 0.26 -1.45 3.14 -1.26 -3.45 118.33 113.00 1iqr n VAL 371 Ca 0.29 -0.17 -0.16 0.00 -2.96 0.00 0.00 64.34 61.34 1iqr n VAL 371 Cb 1.13 -1.97 -0.08 0.00 -1.06 0.00 0.00 33.84 31.86 1iqr n VAL 371 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1iqr h LEU 372 N -0.77 -0.80 -0.80 6.55 3.38 -1.58 -2.00 115.31 119.29 1iqr h LEU 372 Ca -0.37 0.06 0.14 0.00 0.09 0.00 0.00 57.88 57.79 1iqr h LEU 372 Cb 1.47 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 42.33 1iqr h LEU 372 CO -0.15 -0.47 -0.34 -0.61 0.09 0.00 0.00 178.44 176.96 1iqr h GLN 373 N -0.74 -0.07 0.00 1.13 5.75 -0.99 0.43 115.11 120.63 1iqr h GLN 373 Ca -0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1iqr h GLN 373 Cb 0.62 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 1iqr h GLN 373 CO 0.02 -0.04 -0.06 0.78 -2.65 0.00 0.00 178.83 176.88 1iqr h GLY 374 N -0.07 0.00 0.87 2.39 0.00 -1.51 -0.79 103.07 103.97 1iqr h GLY 374 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.31 1iqr h GLY 374 CO -0.84 0.00 -1.80 0.83 0.00 0.00 0.00 176.54 174.73 1iqr h GLU 375 N 0.00 0.20 0.00 4.80 5.08 0.39 -3.03 114.58 122.02 1iqr h GLU 375 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1iqr h GLU 375 Cb 0.16 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1iqr h GLU 375 CO 0.01 1.00 0.00 -0.09 -1.00 0.00 0.00 179.01 178.93 1iqr h ARG 376 N 0.05 0.00 0.00 2.33 2.43 -0.14 -3.29 114.38 115.77 1iqr h ARG 376 Ca -0.34 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1iqr h ARG 376 Cb 2.03 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.49 1iqr h ARG 376 CO 0.11 0.00 -0.52 0.72 -1.51 0.00 0.00 179.97 178.77 1iqr n HIS 377 N -2.74 0.00 -2.98 2.20 8.25 -0.33 -4.91 115.22 114.72 1iqr n HIS 377 Ca 0.03 -1.00 0.01 0.00 -0.26 0.00 0.00 57.72 56.50 1iqr n HIS 377 Cb 0.40 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 1iqr n HIS 377 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1iqr s ASP 378 N -2.63 -0.98 0.00 0.41 2.15 -1.14 -1.46 116.67 113.02 1iqr s ASP 378 Ca 0.32 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1iqr s ASP 378 Cb 0.31 1.26 0.00 0.00 -0.30 0.00 0.00 42.92 44.19 1iqr s ASP 378 CO -0.06 -0.10 0.00 -2.65 -0.17 0.00 0.00 175.17 172.19 1iqr n PRO 379 N 3.94 0.00 0.00 4.34 -0.02 -1.26 -2.87 135.00 139.13 1iqr n PRO 379 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1iqr n PRO 379 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1iqr n PRO 379 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iqr n GLU 380 N 0.00 0.32 -2.58 -0.52 4.71 -1.26 -4.67 120.64 116.64 1iqr n GLU 380 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1iqr n GLU 380 Cb 0.00 -1.27 -0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1iqr n GLU 380 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iqr n GLY 381 N 0.64 -0.50 0.29 0.62 0.00 -1.14 -4.81 105.19 100.29 1iqr n GLY 381 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1iqr n GLY 381 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iqr h ARG 382 N -0.12 0.97 0.02 1.61 3.08 -1.84 -2.00 114.38 116.11 1iqr h ARG 382 Ca -0.24 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1iqr h ARG 382 Cb 1.18 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1iqr h ARG 382 CO 0.29 0.65 -0.01 2.35 -1.07 0.00 0.00 179.97 182.18 1iqr h TRP 383 N 1.00 -0.03 -0.46 3.04 7.01 -1.93 -2.75 115.95 121.83 1iqr h TRP 383 Ca 0.27 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1iqr h TRP 383 Cb -0.11 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1iqr h TRP 383 CO -0.02 0.05 0.30 1.25 -2.79 0.00 0.00 178.44 177.23 1iqr h LEU 384 N -0.11 0.54 -0.86 0.65 5.85 -1.91 -1.43 115.31 118.04 1iqr h LEU 384 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1iqr h LEU 384 Cb 0.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1iqr h LEU 384 CO 0.01 0.40 0.00 0.50 -0.34 0.00 0.00 178.44 179.00 1iqr h LYS 385 N 0.63 0.00 0.05 1.25 1.63 -1.10 -0.82 116.57 118.21 1iqr h LYS 385 Ca 0.17 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.64 1iqr h LYS 385 Cb -0.06 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1iqr h LYS 385 CO -0.04 0.00 -1.88 0.54 -3.45 0.00 0.00 179.45 174.62 1iqr n ARG 386 N -2.54 0.68 -0.00 1.90 5.12 -0.56 -3.85 116.66 117.42 1iqr n ARG 386 Ca 0.02 0.26 0.08 0.00 -1.93 0.00 0.00 57.85 56.28 1iqr n ARG 386 Cb 0.28 -1.74 -0.11 0.00 -1.16 0.00 0.00 32.46 29.74 1iqr n ARG 386 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1iqr n TRP 387 N -3.20 0.00 -2.92 -1.55 7.02 -1.10 -4.74 117.44 110.95 1iqr n TRP 387 Ca -0.24 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.10 1iqr n TRP 387 Cb 1.05 -0.20 0.03 0.00 -2.42 0.00 0.00 31.31 29.77 1iqr n TRP 387 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iqr n ALA 388 N -1.73 0.22 -0.24 6.99 0.00 -0.32 -4.75 120.51 120.68 1iqr n ALA 388 Ca -0.00 -2.21 0.19 0.00 0.00 0.00 0.00 53.44 51.42 1iqr n ALA 388 Cb 0.33 -1.10 0.52 0.00 0.00 0.00 0.00 19.45 19.21 1iqr n ALA 388 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1iqr h PRO 389 N 3.43 0.38 -0.94 0.00 0.11 -1.66 -1.34 132.00 131.97 1iqr h PRO 389 Ca -0.04 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 66.32 1iqr h PRO 389 Cb 1.02 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1iqr h PRO 389 CO 0.32 0.25 0.71 1.05 -0.21 0.00 0.00 178.00 180.12 1iqr h GLU 390 N 0.39 0.00 -5.83 1.05 4.11 -1.91 -3.40 114.58 108.99 1iqr h GLU 390 Ca 0.47 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.32 1iqr h GLU 390 Cb 1.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1iqr h GLU 390 CO -0.17 0.00 0.07 0.71 0.07 0.00 0.00 179.01 179.69 1iqr s TYR 391 N -4.91 3.48 0.16 2.06 1.51 -0.51 -4.95 117.35 114.20 1iqr s TYR 391 Ca -0.05 1.06 0.19 0.00 -1.01 0.00 0.00 57.07 57.27 1iqr s TYR 391 Cb 0.21 -2.76 0.72 0.00 -0.11 0.00 0.00 41.96 40.01 1iqr s TYR 391 CO 0.75 -0.01 1.75 -1.35 -1.11 0.00 0.00 175.55 175.58 1iqr h PRO 392 N 7.05 0.00 0.00 -1.71 0.11 -1.88 -3.47 132.00 132.10 1iqr h PRO 392 Ca -0.37 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1iqr h PRO 392 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iqr h PRO 392 CO 0.77 0.35 0.15 -1.13 -0.21 0.00 0.00 178.00 177.93 1iqr n SER 393 N -3.51 -0.68 -1.01 -2.05 3.41 -1.26 -5.00 113.62 103.51 1iqr n SER 393 Ca -0.00 -1.42 -0.02 0.00 -0.26 0.00 0.00 58.87 57.17 1iqr n SER 393 Cb 0.49 1.12 0.04 0.00 -0.26 0.00 0.00 64.21 65.61 1iqr n SER 393 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iqr n TYR 394 N -0.22 0.42 -3.26 7.33 4.02 -1.26 -4.78 117.16 119.41 1iqr n TYR 394 Ca -0.02 -0.48 -0.39 0.00 -0.01 0.00 0.00 57.90 57.01 1iqr n TYR 394 Cb 0.20 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.18 1iqr n TYR 394 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iqr s ALA 395 N -0.80 3.50 -0.16 -0.72 0.00 -1.26 -4.18 121.76 118.14 1iqr s ALA 395 Ca 0.09 -0.26 -0.35 0.00 0.00 0.00 0.00 51.96 51.44 1iqr s ALA 395 Cb 0.07 -2.74 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 1iqr s ALA 395 CO 0.02 -0.20 1.93 -2.30 0.00 0.00 0.00 175.76 175.21 1iqr n PRO 396 N 4.18 1.89 -3.76 0.00 -0.02 -1.26 -4.73 135.00 131.29 1iqr n PRO 396 Ca -0.06 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1iqr n PRO 396 Cb 0.51 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 1iqr n PRO 396 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1iqr s LYS 397 N 4.46 2.63 -0.40 -0.52 2.20 -1.15 -4.75 119.74 122.20 1iqr s LYS 397 Ca 0.96 -2.84 -0.01 0.00 -0.36 0.00 0.00 55.97 53.72 1iqr s LYS 397 Cb -0.74 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1iqr s LYS 397 CO 0.52 -1.20 0.37 -0.25 -0.36 0.00 0.00 175.35 174.43 1iqr n ASP 398 N 2.94 -4.35 -4.77 1.43 8.00 -1.26 -4.78 116.55 113.76 1iqr n ASP 398 Ca 0.12 -0.18 -0.38 0.00 0.71 0.00 0.00 54.79 55.07 1iqr n ASP 398 Cb 0.36 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 1iqr n ASP 398 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1iqr s PRO 399 N -3.32 3.68 0.00 -0.24 0.02 -1.26 -4.44 135.00 129.44 1iqr s PRO 399 Ca 0.11 1.90 0.16 0.00 0.02 0.00 0.00 61.00 63.19 1iqr s PRO 399 Cb -0.01 -2.43 0.85 0.00 0.02 0.00 0.00 34.50 32.93 1iqr s PRO 399 CO 0.34 -0.65 1.44 1.33 -0.33 0.00 0.00 177.00 179.13 1iqr n VAL 400 N -0.49 0.41 -3.72 3.83 0.24 0.30 -4.73 118.33 114.17 1iqr n VAL 400 Ca 0.07 0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.38 1iqr n VAL 400 Cb 0.47 -0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 31.96 1iqr n VAL 400 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1iqr s VAL 401 N -2.44 0.03 -0.65 3.34 -7.23 -1.26 -5.11 120.40 107.08 1iqr s VAL 401 Ca 0.17 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.40 1iqr s VAL 401 Cb 0.11 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1iqr s VAL 401 CO 0.23 -0.12 0.91 -0.62 -0.31 0.00 0.00 175.10 175.20 1iqr s ASP 402 N -2.86 6.18 0.20 4.85 2.15 -1.26 -4.93 116.67 120.99 1iqr s ASP 402 Ca 0.08 -1.10 -0.22 0.00 0.43 0.00 0.00 52.55 51.75 1iqr s ASP 402 Cb -0.01 -2.39 0.12 0.00 -0.30 0.00 0.00 42.92 40.33 1iqr s ASP 402 CO -0.04 -1.37 1.50 0.18 -0.17 0.00 0.00 175.17 175.28 1iqr n LEU 403 N 7.41 -0.78 0.06 -1.34 4.77 -1.26 0.12 117.00 125.98 1iqr n LEU 403 Ca -0.05 1.71 -0.11 0.00 -0.03 0.00 0.00 56.01 57.53 1iqr n LEU 403 Cb 0.45 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1iqr n LEU 403 CO 0.63 -1.48 0.71 1.05 -1.33 0.00 0.00 177.39 176.97 1iqr h GLU 404 N 0.00 -0.35 -0.63 3.23 4.11 -2.00 0.51 114.58 119.45 1iqr h GLU 404 Ca 0.27 0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.64 1iqr h GLU 404 Cb 0.51 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1iqr h GLU 404 CO -0.94 -0.23 0.09 1.49 0.07 0.00 0.00 179.01 179.48 1iqr h GLU 405 N -0.37 1.04 -0.83 1.06 4.57 -1.57 -2.13 114.58 116.36 1iqr h GLU 405 Ca 0.06 -0.28 0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1iqr h GLU 405 Cb 0.44 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 1iqr h GLU 405 CO -0.20 0.96 0.51 0.00 -1.18 0.00 0.00 179.01 179.11 1iqr h ALA 406 N 1.11 1.13 0.62 2.92 0.00 0.14 0.40 119.26 125.59 1iqr h ALA 406 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1iqr h ALA 406 Cb 0.44 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iqr h ALA 406 CO 0.01 0.25 -0.30 -0.09 0.00 0.00 0.00 179.25 179.13 1iqr h ARG 407 N 0.94 -0.80 -0.59 0.00 2.43 -0.53 -2.02 114.38 113.81 1iqr h ARG 407 Ca 0.36 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.70 1iqr h ARG 407 Cb 0.16 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 29.80 1iqr h ARG 407 CO -0.17 -0.49 0.10 0.00 -1.51 0.00 0.00 179.97 177.90 1iqr h ARG 408 N -0.97 0.22 -0.25 0.20 3.08 -1.01 -0.89 114.38 114.77 1iqr h ARG 408 Ca -0.08 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1iqr h ARG 408 Cb 0.68 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 1iqr h ARG 408 CO 0.14 0.15 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.83 1iqr h ARG 409 N 0.23 -0.26 0.91 0.04 2.43 -0.08 0.15 114.38 117.79 1iqr h ARG 409 Ca 0.31 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1iqr h ARG 409 Cb 0.47 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1iqr h ARG 409 CO -0.42 -0.18 -0.44 -0.92 -1.51 0.00 0.00 179.97 176.51 1iqr h TYR 410 N -0.27 -1.13 -0.93 2.20 3.20 -0.60 -1.74 116.97 117.69 1iqr h TYR 410 Ca 0.14 -0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.24 1iqr h TYR 410 Cb 0.49 0.37 -0.14 0.00 1.54 0.00 0.00 36.73 39.00 1iqr h TYR 410 CO -0.42 -0.70 0.41 -0.07 -1.64 0.00 0.00 178.16 175.73 1iqr h LEU 411 N -1.32 0.30 0.56 2.82 3.38 -1.08 0.39 115.31 120.36 1iqr h LEU 411 Ca -0.12 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1iqr h LEU 411 Cb 0.94 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1iqr h LEU 411 CO 0.21 -0.09 -0.27 -0.09 0.09 0.00 0.00 178.44 178.29 1iqr h ARG 412 N 0.33 -0.72 -0.32 1.13 2.43 -0.82 0.28 114.38 116.69 1iqr h ARG 412 Ca 0.62 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.89 1iqr h ARG 412 Cb 1.27 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.94 1iqr h ARG 412 CO -0.59 -0.48 0.02 -0.07 -1.51 0.00 0.00 179.97 177.34 1iqr h LEU 413 N -0.76 -0.09 0.40 3.80 3.38 0.12 -2.90 115.31 119.27 1iqr h LEU 413 Ca -0.08 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iqr h LEU 413 Cb 0.58 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iqr h LEU 413 CO 0.13 -0.01 -0.19 0.00 0.09 0.00 0.00 178.44 178.45 1iqr h ALA 414 N 1.27 -0.54 -0.98 1.53 0.00 -0.23 -3.09 119.26 117.22 1iqr h ALA 414 Ca 0.15 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.18 1iqr h ALA 414 Cb 0.20 0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.02 1iqr h ALA 414 CO -0.24 -0.77 -0.04 0.00 0.00 0.00 0.00 179.25 178.20 1iqr h ARG 415 N -0.61 0.01 0.00 0.00 3.08 -0.24 -3.51 114.38 113.11 1iqr h ARG 415 Ca -0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1iqr h ARG 415 Cb 0.45 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1iqr h ARG 415 CO 0.09 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 178.75