#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8y n GLN 2 N 0.00 0.42 -4.21 -0.78 10.64 -1.26 -4.70 117.38 117.49 1n8y n GLN 2 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1n8y n GLN 2 Cb 0.00 -0.37 -0.10 0.00 -0.86 0.00 0.00 30.24 28.91 1n8y n GLN 2 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1n8y s VAL 3 N -0.91 4.51 0.34 -0.39 1.01 -1.26 0.96 120.40 124.66 1n8y s VAL 3 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1n8y s VAL 3 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1n8y s VAL 3 CO 0.00 0.54 0.32 0.00 0.00 0.00 0.00 175.10 175.96 1n8y s THR 5 N -3.34 1.99 0.00 0.00 2.01 -1.26 -0.74 115.64 114.31 1n8y s THR 5 Ca 0.39 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1n8y s THR 5 Cb 0.02 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1n8y s THR 5 CO 0.27 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1n8y n GLY 6 N 2.97 0.05 3.49 4.40 0.00 -1.13 -4.87 105.19 110.09 1n8y n GLY 6 Ca -0.17 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1n8y n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8y s THR 7 N 0.16 0.51 -0.43 2.61 -4.23 -0.29 -4.67 115.64 109.30 1n8y s THR 7 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1n8y s THR 7 Cb 0.00 -2.35 0.26 0.00 1.34 0.00 0.00 72.50 71.75 1n8y s THR 7 CO 0.00 0.00 0.72 -0.67 -0.54 0.00 0.00 174.62 174.13 1n8y n ASP 8 N -1.36 -1.07 -0.00 3.99 2.03 -0.62 -3.93 116.55 115.60 1n8y n ASP 8 Ca -0.05 -3.02 0.01 0.00 0.52 0.00 0.00 54.79 52.25 1n8y n ASP 8 Cb 0.65 0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 41.49 1n8y n ASP 8 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1n8y n MET 9 N 1.31 6.22 0.00 -0.67 0.00 -1.25 -4.13 117.12 118.60 1n8y n MET 9 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1n8y n MET 9 Cb 0.59 -0.59 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1n8y n MET 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1n8y n LYS 10 N -1.06 0.00 -0.41 3.17 5.02 -1.26 -1.38 118.16 122.24 1n8y n LYS 10 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1n8y n LYS 10 Cb 0.02 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.36 1n8y n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n8y n LEU 11 N 0.00 3.99 -4.77 -0.35 4.77 -1.26 -4.99 117.00 114.39 1n8y n LEU 11 Ca 0.00 -2.00 -0.39 0.00 -0.03 0.00 0.00 56.01 53.59 1n8y n LEU 11 Cb 0.00 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1n8y n LEU 11 CO 0.00 0.93 0.86 -0.13 -1.33 0.00 0.00 177.39 177.72 1n8y s ARG 12 N -1.18 4.32 0.31 3.23 0.52 -0.48 -4.96 118.95 120.71 1n8y s ARG 12 Ca 0.48 1.91 -0.28 0.00 -0.52 0.00 0.00 55.73 57.32 1n8y s ARG 12 Cb 0.26 -2.93 -0.13 0.00 0.52 0.00 0.00 34.95 32.67 1n8y s ARG 12 CO 0.31 -0.11 1.17 1.28 0.02 0.00 0.00 175.30 177.97 1n8y n LEU 13 N 0.60 2.74 -4.78 2.53 4.77 -1.26 -4.95 117.00 116.65 1n8y n LEU 13 Ca 0.02 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.78 1n8y n LEU 13 Cb 0.45 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1n8y n LEU 13 CO 0.54 -0.89 1.16 -0.81 -1.33 0.00 0.00 177.39 176.06 1n8y n PRO 14 N 0.73 2.72 0.07 3.23 -0.04 -1.26 -4.92 135.00 135.52 1n8y n PRO 14 Ca 0.07 0.95 0.01 0.00 -0.04 0.00 0.00 63.50 64.50 1n8y n PRO 14 Cb 0.34 -2.70 0.34 0.00 -0.04 0.00 0.00 33.50 31.44 1n8y n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n8y h ALA 15 N 3.21 1.42 -3.02 0.55 0.00 -2.04 -3.38 119.26 116.00 1n8y h ALA 15 Ca -0.50 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 1n8y h ALA 15 Cb 1.24 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 1n8y h ALA 15 CO 0.66 0.40 -0.73 0.45 0.00 0.00 0.00 179.25 180.04 1n8y s SER 16 N -6.83 3.71 0.31 0.00 0.15 -1.26 -4.95 113.70 104.83 1n8y s SER 16 Ca -0.06 -2.69 0.02 0.00 0.70 0.00 0.00 55.95 53.92 1n8y s SER 16 Cb 0.15 -1.10 0.51 0.00 -1.71 0.00 0.00 66.02 63.88 1n8y s SER 16 CO 0.75 -0.26 1.86 1.55 1.20 0.00 0.00 173.24 178.33 1n8y h PRO 17 N 6.68 0.67 0.00 5.44 0.13 -2.00 0.44 132.00 143.36 1n8y h PRO 17 Ca -0.01 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1n8y h PRO 17 Cb 0.92 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1n8y h PRO 17 CO 0.51 0.64 0.23 0.93 -0.23 0.00 0.00 178.00 180.07 1n8y h GLU 18 N 0.65 0.00 0.00 0.86 3.07 -1.97 -2.96 114.58 114.23 1n8y h GLU 18 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1n8y h GLU 18 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1n8y h GLU 18 CO 0.00 0.00 -0.35 2.41 -1.40 0.00 0.00 179.01 179.67 1n8y n THR 19 N -2.24 0.00 -0.30 1.13 -1.04 -0.65 -4.87 114.28 106.31 1n8y n THR 19 Ca -0.01 -0.02 0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1n8y n THR 19 Cb 0.26 0.28 0.13 0.00 -1.82 0.00 0.00 70.33 69.17 1n8y n THR 19 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1n8y h HIS 20 N 0.00 -0.40 -0.35 -1.42 6.17 0.02 -1.68 115.15 117.49 1n8y h HIS 20 Ca 0.00 0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 1n8y h HIS 20 Cb 0.00 0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.23 1n8y h HIS 20 CO 0.00 -0.37 0.17 -0.07 0.71 0.00 0.00 177.93 178.37 1n8y h LEU 21 N 0.01 0.45 -0.72 0.26 3.38 -1.87 -1.47 115.31 115.35 1n8y h LEU 21 Ca 0.43 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.40 1n8y h LEU 21 Cb 0.68 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1n8y h LEU 21 CO -0.88 0.45 0.27 -0.78 0.09 0.00 0.00 178.44 177.59 1n8y h ASP 22 N 0.42 0.22 0.65 -0.43 3.58 -1.68 0.38 116.42 119.56 1n8y h ASP 22 Ca 0.12 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1n8y h ASP 22 Cb 0.12 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1n8y h ASP 22 CO -0.01 0.09 -0.46 -0.03 -2.88 0.00 0.00 179.24 175.95 1n8y h MET 23 N 0.41 -1.02 -0.76 0.28 4.05 -0.81 0.29 114.93 117.37 1n8y h MET 23 Ca 0.39 0.07 0.13 0.00 -0.28 0.00 0.00 59.70 60.01 1n8y h MET 23 Cb 0.59 0.23 -0.09 0.00 -0.80 0.00 0.00 31.60 31.53 1n8y h MET 23 CO -0.40 -0.68 0.34 -0.07 0.23 0.00 0.00 176.91 176.33 1n8y h LEU 24 N -1.06 0.37 -0.02 3.39 3.38 -0.84 0.46 115.31 121.00 1n8y h LEU 24 Ca -0.08 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n8y h LEU 24 Cb 0.87 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1n8y h LEU 24 CO 0.04 0.17 -0.03 -0.09 0.09 0.00 0.00 178.44 178.62 1n8y h ARG 25 N 0.52 -0.04 -0.38 1.13 2.43 0.17 -1.11 114.38 117.09 1n8y h ARG 25 Ca 0.41 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1n8y h ARG 25 Cb 0.56 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1n8y h ARG 25 CO -0.36 -0.03 0.08 0.45 -1.51 0.00 0.00 179.97 178.60 1n8y h HIS 26 N -0.04 0.57 -0.31 2.20 3.86 0.52 -1.41 115.15 120.55 1n8y h HIS 26 Ca 0.02 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 1n8y h HIS 26 Cb 0.07 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1n8y h HIS 26 CO -0.11 0.50 -0.45 -0.07 0.86 0.00 0.00 177.93 178.66 1n8y h LEU 27 N 0.55 0.87 0.00 2.43 3.38 -0.66 -3.39 115.31 118.48 1n8y h LEU 27 Ca 0.13 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1n8y h LEU 27 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n8y h LEU 27 CO -0.00 1.19 -0.92 -1.22 0.09 0.00 0.00 178.44 177.58 1n8y n TYR 28 N -4.02 0.00 -1.85 1.13 4.02 -0.45 -4.75 117.16 111.24 1n8y n TYR 28 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 1n8y n TYR 28 Cb 0.57 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 1n8y n TYR 28 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1n8y s GLN 29 N -2.40 4.17 0.00 -0.72 0.74 -0.55 -0.71 119.66 120.20 1n8y s GLN 29 Ca 0.02 2.42 0.00 0.00 0.05 0.00 0.00 55.36 57.85 1n8y s GLN 29 Cb 0.09 -3.66 0.00 0.00 1.10 0.00 0.00 33.01 30.54 1n8y s GLN 29 CO 0.51 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.87 1n8y n GLY 30 N 4.11 2.83 3.72 2.59 0.00 -1.26 -4.85 105.19 112.34 1n8y n GLY 30 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1n8y n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y n GLN 32 N 3.60 0.89 -4.08 0.00 6.02 0.27 -2.63 117.38 121.45 1n8y n GLN 32 Ca 0.06 0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.79 1n8y n GLN 32 Cb 0.49 -1.39 -0.15 0.00 1.02 0.00 0.00 30.24 30.20 1n8y n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n8y s VAL 33 N -2.38 2.24 -0.35 5.09 1.01 0.05 -0.47 120.40 125.59 1n8y s VAL 33 Ca -0.19 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.52 1n8y s VAL 33 Cb 0.06 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1n8y s VAL 33 CO 0.52 0.37 0.59 -0.69 0.00 0.00 0.00 175.10 175.90 1n8y s VAL 34 N 1.26 4.93 -0.76 2.92 1.01 -0.38 -0.66 120.40 128.72 1n8y s VAL 34 Ca 0.02 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 1n8y s VAL 34 Cb -0.15 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.32 1n8y s VAL 34 CO -0.10 -0.28 0.90 -1.10 0.00 0.00 0.00 175.10 174.52 1n8y s GLN 35 N 2.60 3.33 0.00 2.72 -0.21 0.08 -0.53 119.66 127.66 1n8y s GLN 35 Ca 0.22 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 54.02 1n8y s GLN 35 Cb -0.15 -4.51 0.00 0.00 1.00 0.00 0.00 33.01 29.35 1n8y s GLN 35 CO 0.14 -1.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.10 1n8y n GLY 36 N 5.15 0.77 3.76 3.09 0.00 -1.26 -2.85 105.19 113.86 1n8y n GLY 36 Ca 0.07 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1n8y n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n8y s ASN 37 N -4.00 6.09 -0.48 1.61 0.01 -1.25 -0.37 114.94 116.55 1n8y s ASN 37 Ca 0.00 0.29 -0.17 0.00 -0.71 0.00 0.00 52.86 52.26 1n8y s ASN 37 Cb 0.00 -2.01 0.06 0.00 0.41 0.00 0.00 41.25 39.71 1n8y s ASN 37 CO 0.00 0.28 0.51 -0.22 -1.51 0.00 0.00 177.10 176.16 1n8y s LEU 38 N -0.25 5.22 -0.24 0.60 2.96 -0.48 -1.14 118.68 125.35 1n8y s LEU 38 Ca 0.10 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 52.98 1n8y s LEU 38 Cb -0.12 -2.33 0.05 0.00 0.50 0.00 0.00 46.19 44.29 1n8y s LEU 38 CO 0.01 -0.76 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.55 1n8y s GLU 39 N 2.18 2.32 -0.29 1.98 2.02 -1.26 -0.88 118.70 124.76 1n8y s GLU 39 Ca 0.10 -1.19 -0.03 0.00 0.02 0.00 0.00 54.97 53.88 1n8y s GLU 39 Cb -0.21 -2.77 0.04 0.00 0.10 0.00 0.00 34.13 31.29 1n8y s GLU 39 CO 0.10 -0.49 0.00 -0.51 0.02 0.00 0.00 175.26 174.38 1n8y s LEU 40 N 1.18 3.80 0.00 1.80 1.43 0.86 -4.99 118.68 122.76 1n8y s LEU 40 Ca -0.06 -1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 51.82 1n8y s LEU 40 Cb -0.18 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1n8y s LEU 40 CO -0.07 -0.24 0.15 0.42 0.23 0.00 0.00 176.35 176.84 1n8y s THR 41 N 1.30 0.08 -1.46 5.49 -4.23 -1.26 -1.66 115.64 113.91 1n8y s THR 41 Ca -0.03 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1n8y s THR 41 Cb -0.19 -0.47 0.04 0.00 1.34 0.00 0.00 72.50 73.22 1n8y s THR 41 CO -0.01 -0.38 0.73 -1.22 -0.54 0.00 0.00 174.62 173.19 1n8y n TYR 42 N 1.39 -2.11 -2.96 3.99 4.02 -1.07 -4.91 117.16 115.51 1n8y n TYR 42 Ca -0.23 0.65 -0.41 0.00 -0.01 0.00 0.00 57.90 57.91 1n8y n TYR 42 Cb 0.56 -4.06 -0.04 0.00 -0.02 0.00 0.00 39.34 35.78 1n8y n TYR 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1n8y s VAL 43 N -3.15 4.96 0.52 -0.72 1.01 -1.26 -4.94 120.40 116.82 1n8y s VAL 43 Ca 0.44 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.81 1n8y s VAL 43 Cb -0.21 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1n8y s VAL 43 CO 0.54 0.14 1.00 -2.16 0.00 0.00 0.00 175.10 174.62 1n8y s PRO 44 N 1.48 3.85 0.00 2.72 0.05 -1.26 -0.80 135.00 141.04 1n8y s PRO 44 Ca 0.38 1.02 0.00 0.00 0.05 0.00 0.00 61.00 62.45 1n8y s PRO 44 Cb -0.17 -2.12 0.00 0.00 0.05 0.00 0.00 34.50 32.26 1n8y s PRO 44 CO 0.16 -0.35 0.00 0.00 0.05 0.00 0.00 177.00 176.86 1n8y n ALA 45 N -1.58 0.00 0.25 8.56 0.00 -1.26 -1.39 120.51 125.09 1n8y n ALA 45 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1n8y n ALA 45 Cb 0.54 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.09 1n8y n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n8y n ASN 46 N -3.00 2.44 -4.61 0.00 3.02 -1.26 -4.44 115.26 107.41 1n8y n ASN 46 Ca 0.00 -1.71 -0.46 0.00 -0.03 0.00 0.00 54.58 52.38 1n8y n ASN 46 Cb 0.00 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 1n8y n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n8y n ALA 47 N 0.69 -0.11 -2.60 5.41 0.00 -0.49 -4.95 120.51 118.46 1n8y n ALA 47 Ca 0.10 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 1n8y n ALA 47 Cb 0.37 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1n8y n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n8y s SER 48 N -0.14 7.16 -0.20 0.00 0.15 -1.26 -4.95 113.70 114.46 1n8y s SER 48 Ca 0.67 1.61 0.15 0.00 0.70 0.00 0.00 55.95 59.07 1n8y s SER 48 Cb -0.75 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 61.47 1n8y s SER 48 CO 0.55 -0.53 1.35 0.18 1.20 0.00 0.00 173.24 175.99 1n8y n LEU 49 N 5.29 3.49 0.07 3.45 4.77 -1.26 -4.79 117.00 128.02 1n8y n LEU 49 Ca 0.10 -3.28 0.12 0.00 -0.03 0.00 0.00 56.01 52.92 1n8y n LEU 49 Cb 0.47 -0.54 0.46 0.00 -2.33 0.00 0.00 43.42 41.49 1n8y n LEU 49 CO 0.53 0.87 0.87 -1.54 -1.33 0.00 0.00 177.39 176.80 1n8y n SER 50 N -0.93 0.48 0.00 -1.43 3.41 -1.26 -2.13 113.62 111.76 1n8y n SER 50 Ca 0.23 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 1n8y n SER 50 Cb 0.85 -0.69 0.46 0.00 -0.26 0.00 0.00 64.21 64.57 1n8y n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1n8y n PHE 51 N -1.97 0.00 1.03 7.33 1.16 -1.26 -2.39 117.46 121.35 1n8y n PHE 51 Ca 0.05 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.75 1n8y n PHE 51 Cb 0.32 0.00 0.27 0.00 -1.61 0.00 0.00 39.48 38.47 1n8y n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1n8y n LEU 52 N -0.96 2.51 -0.07 5.98 4.77 -0.90 -3.60 117.00 124.72 1n8y n LEU 52 Ca 0.12 -0.92 0.15 0.00 -0.03 0.00 0.00 56.01 55.32 1n8y n LEU 52 Cb 0.05 -0.06 0.73 0.00 -2.33 0.00 0.00 43.42 41.81 1n8y n LEU 52 CO 0.09 0.46 0.97 0.00 -1.33 0.00 0.00 177.39 177.58 1n8y n GLN 53 N 0.92 0.73 0.00 3.23 10.64 -1.01 -2.61 117.38 129.29 1n8y n GLN 53 Ca 0.17 -0.15 0.08 0.00 -1.83 0.00 0.00 57.00 55.27 1n8y n GLN 53 Cb 0.50 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.30 1n8y n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1n8y n ASP 54 N -1.01 0.92 -4.64 2.61 9.92 -1.26 -4.60 116.55 118.50 1n8y n ASP 54 Ca 0.17 -0.96 -0.42 0.00 -0.53 0.00 0.00 54.79 53.04 1n8y n ASP 54 Cb 0.23 0.94 -0.03 0.00 -0.64 0.00 0.00 41.12 41.62 1n8y n ASP 54 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1n8y s ILE 55 N -2.55 3.06 -0.55 0.53 1.01 -1.07 -4.34 121.20 117.28 1n8y s ILE 55 Ca 0.07 0.07 0.12 0.00 0.00 0.00 0.00 60.65 60.91 1n8y s ILE 55 Cb 0.13 -3.06 -0.13 0.00 0.01 0.00 0.00 42.46 39.42 1n8y s ILE 55 CO 0.67 -0.02 0.49 0.00 0.00 0.00 0.00 174.94 176.09 1n8y n GLN 56 N 8.01 3.13 -3.68 2.79 6.02 0.38 -2.16 117.38 131.87 1n8y n GLN 56 Ca 0.24 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1n8y n GLN 56 Cb 0.43 -1.05 -0.09 0.00 1.02 0.00 0.00 30.24 30.55 1n8y n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1n8y s GLU 57 N -2.11 0.58 -0.16 -1.09 2.12 -0.84 -0.98 118.70 116.22 1n8y s GLU 57 Ca 0.04 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.21 1n8y s GLU 57 Cb 0.09 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1n8y s GLU 57 CO 0.48 -0.11 -0.18 0.08 -0.54 0.00 0.00 175.26 174.99 1n8y s VAL 58 N 0.79 2.31 0.08 3.70 1.01 -0.61 -1.25 120.40 126.43 1n8y s VAL 58 Ca -0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1n8y s VAL 58 Cb -0.05 -1.97 -0.27 0.00 0.00 0.00 0.00 36.38 34.09 1n8y s VAL 58 CO -0.06 0.53 1.15 -0.61 0.00 0.00 0.00 175.10 176.11 1n8y h GLN 59 N 7.61 0.33 0.00 2.72 4.15 -0.89 0.75 115.11 129.78 1n8y h GLN 59 Ca -0.38 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 58.52 1n8y h GLN 59 Cb 1.17 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1n8y h GLN 59 CO 0.59 1.23 0.00 0.41 -1.93 0.00 0.00 178.83 179.13 1n8y n GLY 60 N 1.45 0.67 3.87 2.39 0.00 0.50 -1.62 105.19 112.46 1n8y n GLY 60 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1n8y n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n8y s TYR 61 N 2.13 2.75 -0.13 1.61 -0.85 -1.10 -1.59 117.35 120.16 1n8y s TYR 61 Ca 0.00 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.13 1n8y s TYR 61 Cb 0.00 -2.08 0.01 0.00 0.38 0.00 0.00 41.96 40.26 1n8y s TYR 61 CO 0.00 -0.05 -0.22 0.00 -1.52 0.00 0.00 175.55 173.76 1n8y s MET 62 N -4.10 3.04 -0.16 -3.49 0.23 0.40 -1.38 119.30 113.84 1n8y s MET 62 Ca 0.46 -0.85 0.01 0.00 -1.03 0.00 0.00 55.69 54.28 1n8y s MET 62 Cb -0.04 -2.41 0.02 0.00 -1.53 0.00 0.00 34.83 30.87 1n8y s MET 62 CO 0.27 0.04 -0.19 -1.17 -2.03 0.00 0.00 175.02 171.95 1n8y s LEU 63 N 0.68 2.01 -0.32 0.18 2.96 -0.06 -1.35 118.68 122.77 1n8y s LEU 63 Ca -0.10 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1n8y s LEU 63 Cb -0.16 -1.39 0.08 0.00 0.50 0.00 0.00 46.19 45.22 1n8y s LEU 63 CO 0.01 0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.43 1n8y s ILE 64 N 1.22 2.48 0.02 6.68 1.01 -0.05 -0.10 121.20 132.46 1n8y s ILE 64 Ca 0.02 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 58.71 1n8y s ILE 64 Cb -0.14 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1n8y s ILE 64 CO -0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 174.94 174.44 1n8y s ALA 65 N 1.04 0.16 -2.01 9.38 0.00 -0.66 -0.89 121.76 128.78 1n8y s ALA 65 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1n8y s ALA 65 Cb -0.20 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1n8y s ALA 65 CO -0.06 -0.09 0.00 0.72 0.00 0.00 0.00 175.76 176.33 1n8y n HIS 66 N 1.98 -0.27 -2.80 0.00 8.25 -0.47 -2.60 115.22 119.31 1n8y n HIS 66 Ca -0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.97 1n8y n HIS 66 Cb 0.56 -3.44 -0.01 0.00 1.12 0.00 0.00 29.99 28.21 1n8y n HIS 66 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1n8y s ASN 67 N -2.54 6.36 0.00 0.41 0.01 -1.26 -3.27 114.94 114.65 1n8y s ASN 67 Ca 0.00 0.95 0.17 0.00 -0.71 0.00 0.00 52.86 53.28 1n8y s ASN 67 Cb 0.00 -2.25 -0.16 0.00 0.41 0.00 0.00 41.25 39.25 1n8y s ASN 67 CO 0.00 -0.47 0.77 0.00 -1.51 0.00 0.00 177.10 175.89 1n8y n GLN 68 N -1.81 1.31 -1.68 -0.60 1.13 0.02 -2.98 117.38 112.77 1n8y n GLN 68 Ca 0.01 -0.14 -0.37 0.00 -1.94 0.00 0.00 57.00 54.56 1n8y n GLN 68 Cb 0.55 -1.32 0.07 0.00 0.11 0.00 0.00 30.24 29.65 1n8y n GLN 68 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1n8y n VAL 69 N -1.20 4.72 0.13 5.09 0.24 -1.25 -2.22 118.33 123.84 1n8y n VAL 69 Ca 0.04 -0.48 0.04 0.00 -2.04 0.00 0.00 64.34 61.90 1n8y n VAL 69 Cb 0.29 -1.45 0.03 0.00 -1.47 0.00 0.00 33.84 31.24 1n8y n VAL 69 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1n8y h LYS 70 N 0.43 0.00 -3.89 7.34 1.57 -1.82 -2.25 116.57 117.95 1n8y h LYS 70 Ca -0.51 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.01 1n8y h LYS 70 Cb 1.34 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.36 1n8y h LYS 70 CO 0.52 0.35 -0.73 0.50 -0.57 0.00 0.00 179.45 179.52 1n8y s ARG 71 N -3.03 0.15 -0.33 3.15 6.06 -1.26 -0.98 118.95 122.71 1n8y s ARG 71 Ca 0.03 -0.04 0.02 0.00 -2.50 0.00 0.00 55.73 53.24 1n8y s ARG 71 Cb 0.07 -0.17 0.09 0.00 0.06 0.00 0.00 34.95 35.00 1n8y s ARG 71 CO 0.75 0.02 0.04 0.08 -2.50 0.00 0.00 175.30 173.68 1n8y s VAL 72 N 0.09 2.50 -1.20 7.11 1.01 -1.26 -4.96 120.40 123.68 1n8y s VAL 72 Ca -0.01 -2.06 -0.19 0.00 0.00 0.00 0.00 61.98 59.73 1n8y s VAL 72 Cb -0.02 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1n8y s VAL 72 CO -0.00 -0.45 1.93 -0.81 0.00 0.00 0.00 175.10 175.77 1n8y n PRO 73 N 4.38 2.36 -1.95 2.72 -0.04 -1.26 -4.73 135.00 136.49 1n8y n PRO 73 Ca -0.03 -2.64 -0.32 0.00 -0.04 0.00 0.00 63.50 60.48 1n8y n PRO 73 Cb 0.42 -3.41 0.03 0.00 -0.04 0.00 0.00 33.50 30.51 1n8y n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n8y n LEU 74 N 9.41 6.23 0.00 1.53 4.77 -1.26 -4.16 117.00 133.52 1n8y n LEU 74 Ca 0.49 -4.79 0.14 0.00 -0.03 0.00 0.00 56.01 51.82 1n8y n LEU 74 Cb 0.44 -0.72 0.68 0.00 -2.33 0.00 0.00 43.42 41.49 1n8y n LEU 74 CO 0.82 1.90 0.97 0.00 -1.33 0.00 0.00 177.39 179.75 1n8y n GLN 75 N -0.66 0.31 -0.05 3.23 0.00 -1.26 -2.57 117.38 116.38 1n8y n GLN 75 Ca 0.50 0.02 0.12 0.00 0.00 0.00 0.00 57.00 57.64 1n8y n GLN 75 Cb 0.62 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 29.49 1n8y n GLN 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1n8y n ARG 76 N -1.34 2.35 -2.30 2.61 1.74 -1.26 -3.68 116.66 114.77 1n8y n ARG 76 Ca 0.12 -2.02 -0.43 0.00 -0.77 0.00 0.00 57.85 54.75 1n8y n ARG 76 Cb 0.25 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1n8y n ARG 76 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1n8y s LEU 77 N -1.83 4.11 -0.18 0.55 2.96 -0.92 -4.04 118.68 119.33 1n8y s LEU 77 Ca 0.31 1.69 0.10 0.00 -0.22 0.00 0.00 54.13 56.01 1n8y s LEU 77 Cb 0.21 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.18 1n8y s LEU 77 CO 0.30 -0.92 -0.03 0.54 -1.32 0.00 0.00 176.35 174.92 1n8y n ARG 78 N 6.99 1.05 -3.70 1.98 1.74 -0.15 -0.85 116.66 123.72 1n8y n ARG 78 Ca 0.15 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1n8y n ARG 78 Cb 0.45 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 1n8y n ARG 78 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1n8y s ILE 79 N -2.41 -0.00 -0.19 0.55 2.07 -1.21 -1.61 121.20 118.40 1n8y s ILE 79 Ca -0.15 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1n8y s ILE 79 Cb 0.06 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1n8y s ILE 79 CO 0.61 0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.84 1n8y s VAL 80 N 0.53 2.83 -0.08 4.00 1.01 -0.57 -1.58 120.40 126.55 1n8y s VAL 80 Ca -0.02 -0.68 0.13 0.00 0.00 0.00 0.00 61.98 61.40 1n8y s VAL 80 Cb -0.04 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1n8y s VAL 80 CO -0.03 0.48 1.34 0.03 0.00 0.00 0.00 175.10 176.92 1n8y h ARG 81 N 7.87 0.00 -5.82 2.72 3.08 -0.97 -2.60 114.38 118.66 1n8y h ARG 81 Ca -0.41 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.25 1n8y h ARG 81 Cb 1.16 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.35 1n8y h ARG 81 CO 0.61 0.62 -0.69 0.41 -1.07 0.00 0.00 179.97 179.85 1n8y n GLY 82 N 1.28 -0.53 0.27 0.04 0.00 -0.62 -2.83 105.19 102.80 1n8y n GLY 82 Ca 0.00 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.43 1n8y n GLY 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n8y h THR 83 N -2.63 0.20 -3.97 2.61 1.35 -1.47 -3.42 112.91 105.58 1n8y h THR 83 Ca -0.57 -0.55 -0.47 0.00 -0.55 0.00 0.00 66.41 64.27 1n8y h THR 83 Cb 1.37 1.45 -0.22 0.00 -1.73 0.00 0.00 68.15 69.02 1n8y h THR 83 CO 0.55 0.06 -0.80 -1.10 -0.25 0.00 0.00 175.52 173.99 1n8y s GLN 84 N -3.83 0.95 0.02 4.72 -0.21 -1.26 -5.03 119.66 115.03 1n8y s GLN 84 Ca -0.01 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.46 1n8y s GLN 84 Cb 0.10 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.06 1n8y s GLN 84 CO 0.55 0.24 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.26 1n8y s LEU 85 N -1.65 2.12 0.13 2.90 1.43 -1.26 -2.73 118.68 119.62 1n8y s LEU 85 Ca 0.01 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1n8y s LEU 85 Cb -0.10 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 1n8y s LEU 85 CO 0.03 0.16 1.07 0.12 0.23 0.00 0.00 176.35 177.96 1n8y s PHE 86 N -0.66 3.63 -1.30 0.29 5.36 -0.56 -1.89 117.98 122.86 1n8y s PHE 86 Ca 0.06 1.62 -0.06 0.00 -0.96 0.00 0.00 56.93 57.59 1n8y s PHE 86 Cb -0.08 -3.23 0.04 0.00 -0.34 0.00 0.00 43.02 39.41 1n8y s PHE 86 CO 0.01 -0.45 0.38 0.39 -1.46 0.00 0.00 175.22 174.09 1n8y n GLU 87 N 2.80 -3.40 -1.32 10.12 1.02 -1.26 -0.75 120.64 127.86 1n8y n GLU 87 Ca 0.04 0.61 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1n8y n GLU 87 Cb 0.47 -5.33 -0.05 0.00 -0.02 0.00 0.00 31.44 26.51 1n8y n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1n8y n ASP 88 N -2.21 -4.25 0.00 1.62 8.00 -0.79 -4.72 116.55 114.19 1n8y n ASP 88 Ca -0.07 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1n8y n ASP 88 Cb 0.58 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1n8y n ASP 88 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1n8y n LYS 89 N -1.49 0.00 -4.93 -1.24 2.85 0.07 -4.90 118.16 108.52 1n8y n LYS 89 Ca -0.13 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.85 1n8y n LYS 89 Cb 0.49 -0.24 -0.17 0.00 -0.65 0.00 0.00 35.03 34.47 1n8y n LYS 89 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1n8y s TYR 90 N 0.00 2.00 -0.11 5.58 1.51 -0.62 -2.14 117.35 123.56 1n8y s TYR 90 Ca 0.00 -0.73 0.14 0.00 -1.01 0.00 0.00 57.07 55.47 1n8y s TYR 90 Cb 0.00 -1.37 0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1n8y s TYR 90 CO 0.00 -0.30 1.43 0.00 -1.11 0.00 0.00 175.55 175.57 1n8y h ALA 91 N 6.63 0.64 -3.36 3.71 0.00 -0.81 -1.47 119.26 124.60 1n8y h ALA 91 Ca -0.27 -0.51 -0.40 0.00 0.00 0.00 0.00 54.91 53.73 1n8y h ALA 91 Cb 1.20 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.54 1n8y h ALA 91 CO 0.47 0.70 -0.76 -1.17 0.00 0.00 0.00 179.25 178.50 1n8y s LEU 92 N -6.51 0.81 -0.07 0.00 2.96 -0.93 -0.45 118.68 114.49 1n8y s LEU 92 Ca 0.03 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1n8y s LEU 92 Cb 0.08 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.45 1n8y s LEU 92 CO 0.75 -0.15 0.01 0.00 -1.32 0.00 0.00 176.35 175.64 1n8y s ALA 93 N 1.57 0.63 -0.32 5.97 0.00 -0.46 -0.81 121.76 128.34 1n8y s ALA 93 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1n8y s ALA 93 Cb -0.13 -0.74 0.10 0.00 0.00 0.00 0.00 23.12 22.35 1n8y s ALA 93 CO -0.03 -0.48 0.07 0.08 0.00 0.00 0.00 175.76 175.39 1n8y s VAL 94 N 2.00 1.54 -0.08 0.00 1.01 0.36 -0.87 120.40 124.37 1n8y s VAL 94 Ca 0.05 -1.81 0.04 0.00 0.00 0.00 0.00 61.98 60.26 1n8y s VAL 94 Cb -0.12 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1n8y s VAL 94 CO -0.05 -0.61 -0.21 -0.76 0.00 0.00 0.00 175.10 173.48 1n8y s LEU 95 N 1.28 1.96 -1.46 3.92 1.43 -0.07 -1.63 118.68 124.12 1n8y s LEU 95 Ca 0.09 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1n8y s LEU 95 Cb -0.18 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1n8y s LEU 95 CO -0.16 0.14 0.31 0.47 0.23 0.00 0.00 176.35 177.33 1n8y n ASP 96 N 3.47 -5.17 -4.57 2.29 10.43 -0.19 -1.37 116.55 121.44 1n8y n ASP 96 Ca -0.20 -0.14 -0.43 0.00 2.57 0.00 0.00 54.79 56.60 1n8y n ASP 96 Cb 0.53 -4.26 -0.00 0.00 1.84 0.00 0.00 41.12 39.22 1n8y n ASP 96 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1n8y s ASN 97 N -2.40 6.82 0.28 -2.24 0.01 -1.23 -3.46 114.94 112.72 1n8y s ASN 97 Ca 0.18 -2.38 -0.14 0.00 -0.71 0.00 0.00 52.86 49.82 1n8y s ASN 97 Cb -0.09 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1n8y s ASN 97 CO 0.22 -1.18 0.56 0.00 -1.51 0.00 0.00 177.10 175.19 1n8y s ARG 98 N 4.17 1.72 0.31 -0.60 1.70 -1.16 -3.23 118.95 121.86 1n8y s ARG 98 Ca 0.53 -1.28 0.07 0.00 -0.47 0.00 0.00 55.73 54.58 1n8y s ARG 98 Cb 0.03 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.90 1n8y s ARG 98 CO 0.06 -0.74 0.27 0.16 -1.08 0.00 0.00 175.30 173.96 1n8y s ASP 99 N -3.03 5.39 -1.20 -2.89 3.84 -1.26 -4.69 116.67 112.83 1n8y s ASP 99 Ca 0.20 -0.41 -0.08 0.00 -0.00 0.00 0.00 52.55 52.27 1n8y s ASP 99 Cb -0.02 -1.12 -0.08 0.00 -1.38 0.00 0.00 42.92 40.32 1n8y s ASP 99 CO 0.10 -0.26 2.58 -2.65 -0.00 0.00 0.00 175.17 174.94 1n8y n PRO 100 N -1.32 2.84 -0.09 2.11 -0.02 -1.26 -5.05 135.00 132.20 1n8y n PRO 100 Ca -0.04 -1.77 -0.03 0.00 -2.02 0.00 0.00 63.50 59.64 1n8y n PRO 100 Cb 0.59 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1n8y n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n8y n GLN 101 N 3.80 0.00 -4.30 -0.52 6.02 -1.26 -5.23 117.38 115.89 1n8y n GLN 101 Ca 0.60 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.30 1n8y n GLN 101 Cb 0.21 -0.07 -0.17 0.00 1.02 0.00 0.00 30.24 31.24 1n8y n GLN 101 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1n8y s PRO 113 N -0.08 2.36 0.43 -1.09 0.02 -1.26 -5.31 135.00 130.07 1n8y s PRO 113 Ca 0.04 -0.60 0.08 0.00 0.02 0.00 0.00 61.00 60.54 1n8y s PRO 113 Cb -0.03 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1n8y s PRO 113 CO 0.05 -0.13 0.57 -1.21 -0.33 0.00 0.00 177.00 175.95 1n8y s GLU 114 N 1.17 2.77 0.00 5.54 2.02 -1.26 -5.04 118.70 123.90 1n8y s GLU 114 Ca -0.02 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1n8y s GLU 114 Cb -0.14 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1n8y s GLU 114 CO -0.05 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1n8y n GLY 115 N -1.86 3.22 3.57 -1.39 0.00 -0.94 -4.21 105.19 103.58 1n8y n GLY 115 Ca 0.08 -1.64 -0.52 0.00 0.00 0.00 0.00 46.02 43.95 1n8y n GLY 115 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n8y n LEU 116 N 0.00 1.35 -0.09 0.99 7.94 -0.85 -4.36 117.00 121.97 1n8y n LEU 116 Ca 0.00 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1n8y n LEU 116 Cb 0.00 -1.16 -0.09 0.00 0.53 0.00 0.00 43.42 42.70 1n8y n LEU 116 CO 0.00 -1.27 -1.11 0.54 -1.11 0.00 0.00 177.39 174.43 1n8y n ARG 117 N 2.12 0.52 -3.92 1.96 1.74 -0.15 -2.82 116.66 116.11 1n8y n ARG 117 Ca 0.17 0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1n8y n ARG 117 Cb 0.20 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 1n8y n ARG 117 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1n8y s GLU 118 N -2.38 0.55 -0.03 5.56 2.02 -1.26 -0.86 118.70 122.30 1n8y s GLU 118 Ca -0.25 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.13 1n8y s GLU 118 Cb 0.06 0.22 -0.24 0.00 0.10 0.00 0.00 34.13 34.27 1n8y s GLU 118 CO 0.45 -0.13 0.73 -0.07 0.02 0.00 0.00 175.26 176.25 1n8y h LEU 119 N 3.84 0.14 2.60 1.80 3.38 -1.77 -3.42 115.31 121.88 1n8y h LEU 119 Ca -0.32 -0.25 -0.28 0.00 0.09 0.00 0.00 57.88 57.12 1n8y h LEU 119 Cb 1.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1n8y h LEU 119 CO 0.48 1.22 -0.35 0.00 0.09 0.00 0.00 178.44 179.88 1n8y n GLN 120 N -3.23 -2.11 -1.10 1.13 6.02 -0.73 -4.79 117.38 112.58 1n8y n GLN 120 Ca -0.17 0.67 -0.21 0.00 -0.01 0.00 0.00 57.00 57.28 1n8y n GLN 120 Cb 1.04 -5.27 -0.12 0.00 1.02 0.00 0.00 30.24 26.90 1n8y n GLN 120 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n8y n LEU 121 N -2.81 6.38 0.00 1.08 4.77 -1.26 -4.27 117.00 120.89 1n8y n LEU 121 Ca -0.16 -3.56 0.07 0.00 -0.03 0.00 0.00 56.01 52.33 1n8y n LEU 121 Cb 0.62 -1.46 0.33 0.00 -2.33 0.00 0.00 43.42 40.58 1n8y n LEU 121 CO 0.19 1.81 0.74 -2.11 -1.33 0.00 0.00 177.39 176.70 1n8y n ARG 122 N 2.86 0.00 0.00 3.23 1.85 -1.26 -1.23 116.66 122.11 1n8y n ARG 122 Ca 0.55 0.24 0.11 0.00 -1.00 0.00 0.00 57.85 57.74 1n8y n ARG 122 Cb 0.69 -1.51 -0.04 0.00 -1.05 0.00 0.00 32.46 30.56 1n8y n ARG 122 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1n8y n SER 123 N -1.51 1.25 -4.55 2.89 7.64 -1.24 -4.60 113.62 113.49 1n8y n SER 123 Ca 0.04 -1.08 -0.40 0.00 1.01 0.00 0.00 58.87 58.44 1n8y n SER 123 Cb 0.18 0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 1n8y n SER 123 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n8y s LEU 124 N -2.83 3.26 -0.04 -3.43 2.96 -0.03 -4.03 118.68 114.53 1n8y s LEU 124 Ca 0.12 -0.54 0.12 0.00 -0.22 0.00 0.00 54.13 53.61 1n8y s LEU 124 Cb 0.17 -2.56 0.36 0.00 0.50 0.00 0.00 46.19 44.67 1n8y s LEU 124 CO 0.76 -1.93 1.30 0.35 -1.32 0.00 0.00 176.35 175.51 1n8y n THR 125 N 6.74 1.26 -3.66 3.68 -2.24 -0.63 -4.92 114.28 114.51 1n8y n THR 125 Ca 0.15 -1.17 -0.07 0.00 -2.27 0.00 0.00 64.05 60.69 1n8y n THR 125 Cb 0.50 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 1n8y n THR 125 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1n8y s GLU 126 N -1.36 0.42 -0.37 -0.78 2.56 -1.09 -4.63 118.70 113.45 1n8y s GLU 126 Ca 0.28 1.07 0.02 0.00 0.00 0.00 0.00 54.97 56.35 1n8y s GLU 126 Cb 0.17 0.33 0.11 0.00 2.00 0.00 0.00 34.13 36.74 1n8y s GLU 126 CO 0.15 -0.21 0.12 0.42 -0.56 0.00 0.00 175.26 175.18 1n8y s ILE 127 N 2.29 1.78 0.26 -3.70 1.01 -0.07 -1.51 121.20 121.27 1n8y s ILE 127 Ca -0.05 -2.24 -0.04 0.00 0.00 0.00 0.00 60.65 58.32 1n8y s ILE 127 Cb -0.10 -2.30 0.26 0.00 0.01 0.00 0.00 42.46 40.33 1n8y s ILE 127 CO -0.15 -0.70 1.92 -0.07 0.00 0.00 0.00 174.94 175.95 1n8y h LEU 128 N 7.46 1.10 -7.57 2.97 3.38 -1.64 -2.15 115.31 118.85 1n8y h LEU 128 Ca -0.07 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1n8y h LEU 128 Cb 0.99 -0.26 -0.24 0.00 0.09 0.00 0.00 40.66 41.23 1n8y h LEU 128 CO 0.52 0.77 -0.46 -0.54 0.09 0.00 0.00 178.44 178.83 1n8y s LYS 129 N -6.07 0.34 0.00 1.13 1.02 -1.13 -4.63 119.74 110.40 1n8y s LYS 129 Ca -0.13 0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1n8y s LYS 129 Cb 0.19 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 1n8y s LYS 129 CO 0.81 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 1n8y n GLY 130 N 2.45 -0.52 0.00 -3.33 0.00 -1.26 -4.30 105.19 98.23 1n8y n GLY 130 Ca -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1n8y n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8y n GLY 131 N -0.47 4.28 2.87 -0.02 0.00 -0.91 -4.43 105.19 106.51 1n8y n GLY 131 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1n8y n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8y s VAL 132 N 3.26 0.25 -0.09 1.61 1.01 0.21 -0.26 120.40 126.38 1n8y s VAL 132 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1n8y s VAL 132 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1n8y s VAL 132 CO 0.00 0.12 -0.07 -0.22 0.00 0.00 0.00 175.10 174.93 1n8y s LEU 133 N 0.52 1.16 -0.17 3.92 2.96 0.01 -0.90 118.68 126.18 1n8y s LEU 133 Ca -0.05 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1n8y s LEU 133 Cb -0.08 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.92 1n8y s LEU 133 CO -0.01 -0.10 0.04 -0.63 -1.32 0.00 0.00 176.35 174.33 1n8y s ILE 134 N 1.54 0.39 -0.15 6.68 1.01 -0.52 -0.49 121.20 129.68 1n8y s ILE 134 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 1n8y s ILE 134 Cb -0.13 -0.88 0.04 0.00 0.01 0.00 0.00 42.46 41.50 1n8y s ILE 134 CO -0.05 -0.15 0.38 -0.60 0.00 0.00 0.00 174.94 174.52 1n8y s ARG 135 N 1.92 0.44 -0.34 2.79 3.52 -0.64 -0.84 118.95 125.80 1n8y s ARG 135 Ca 0.00 0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1n8y s ARG 135 Cb -0.16 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1n8y s ARG 135 CO -0.08 -0.07 0.03 0.41 -0.81 0.00 0.00 175.30 174.79 1n8y n GLY 136 N 3.03 0.27 3.02 8.12 0.00 -1.26 -1.02 105.19 117.34 1n8y n GLY 136 Ca -0.14 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1n8y n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n8y s ASN 137 N -2.85 5.30 0.00 1.61 0.01 -1.26 -3.13 114.94 114.62 1n8y s ASN 137 Ca 0.02 -3.54 0.22 0.00 -0.71 0.00 0.00 52.86 48.85 1n8y s ASN 137 Cb -0.01 -1.78 1.13 0.00 0.41 0.00 0.00 41.25 41.00 1n8y s ASN 137 CO 0.02 -0.19 1.69 -0.81 -1.51 0.00 0.00 177.10 176.31 1n8y n PRO 138 N 2.50 0.37 0.00 -0.60 -0.05 -1.26 -2.08 135.00 133.87 1n8y n PRO 138 Ca 0.17 0.07 0.05 0.00 -0.05 0.00 0.00 63.50 63.74 1n8y n PRO 138 Cb 0.36 -1.50 0.04 0.00 -0.05 0.00 0.00 33.50 32.35 1n8y n PRO 138 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 1n8y n GLN 139 N -1.24 0.52 -2.86 0.54 1.13 -1.26 -1.76 117.38 112.45 1n8y n GLN 139 Ca 0.11 -1.07 -0.40 0.00 -1.94 0.00 0.00 57.00 53.70 1n8y n GLN 139 Cb 0.16 -1.19 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 1n8y n GLN 139 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1n8y s LEU 140 N -0.89 4.48 0.21 1.08 0.20 -0.88 -4.43 118.68 118.45 1n8y s LEU 140 Ca 0.12 1.62 0.07 0.00 0.69 0.00 0.00 54.13 56.63 1n8y s LEU 140 Cb 0.08 -3.40 -0.05 0.00 -0.43 0.00 0.00 46.19 42.39 1n8y s LEU 140 CO 0.13 -0.02 -0.13 0.00 -0.29 0.00 0.00 176.35 176.05 1n8y n TYR 142 N -0.40 0.00 0.25 0.00 4.02 -1.26 -4.42 117.16 115.35 1n8y n TYR 142 Ca -0.08 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.95 1n8y n TYR 142 Cb 0.61 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.41 1n8y n TYR 142 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1n8y h GLN 143 N 2.26 0.00 -0.48 -0.72 3.07 -1.89 -2.62 115.11 114.73 1n8y h GLN 143 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n8y h GLN 143 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1n8y h GLN 143 CO 0.00 0.07 0.00 -0.40 0.09 0.00 0.00 178.83 178.59 1n8y n ASP 144 N -3.16 3.30 -0.37 0.06 3.85 -1.26 -4.33 116.55 114.64 1n8y n ASP 144 Ca 0.01 -1.98 0.03 0.00 -0.71 0.00 0.00 54.79 52.15 1n8y n ASP 144 Cb 0.41 -0.32 0.09 0.00 -1.35 0.00 0.00 41.12 39.95 1n8y n ASP 144 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1n8y n MET 145 N 1.00 2.93 -3.13 0.11 2.81 -0.99 -4.94 117.12 114.90 1n8y n MET 145 Ca 0.17 -1.82 -0.39 0.00 -1.81 0.00 0.00 57.70 53.85 1n8y n MET 145 Cb 0.50 -1.16 -0.05 0.00 -0.71 0.00 0.00 33.22 31.81 1n8y n MET 145 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1n8y s VAL 146 N -1.01 5.08 -0.74 2.03 1.01 -1.24 -1.72 120.40 123.80 1n8y s VAL 146 Ca 0.13 1.30 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 1n8y s VAL 146 Cb 0.07 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1n8y s VAL 146 CO 0.09 0.28 1.34 -0.22 0.00 0.00 0.00 175.10 176.59 1n8y s LEU 147 N 0.69 3.19 0.21 3.92 2.96 -1.26 -4.87 118.68 123.52 1n8y s LEU 147 Ca 0.34 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1n8y s LEU 147 Cb -0.17 -2.56 0.18 0.00 0.50 0.00 0.00 46.19 44.14 1n8y s LEU 147 CO 0.16 -1.87 1.57 -0.50 -1.32 0.00 0.00 176.35 174.39 1n8y h TRP 148 N 10.43 0.69 0.00 5.38 4.06 -1.98 -2.97 115.95 131.56 1n8y h TRP 148 Ca -0.25 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1n8y h TRP 148 Cb 1.06 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1n8y h TRP 148 CO 1.13 0.91 0.00 0.87 -3.56 0.00 0.00 178.44 177.79 1n8y h LYS 149 N 0.47 0.00 -0.29 0.49 1.79 -1.89 0.12 116.57 117.26 1n8y h LYS 149 Ca 0.03 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 1n8y h LYS 149 Cb 0.95 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1n8y h LYS 149 CO 0.08 0.00 -0.47 0.22 -1.08 0.00 0.00 179.45 178.20 1n8y h ASP 150 N 0.00 0.83 -0.30 0.86 1.82 -1.94 -3.30 116.42 114.39 1n8y h ASP 150 Ca 0.00 -0.41 -0.10 0.00 -0.39 0.00 0.00 57.03 56.13 1n8y h ASP 150 Cb 0.43 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1n8y h ASP 150 CO 0.00 1.17 -0.21 0.58 -1.61 0.00 0.00 179.24 179.17 1n8y h VAL 151 N 0.61 1.30 -3.37 2.25 2.07 -0.89 -3.39 116.25 114.84 1n8y h VAL 151 Ca 0.03 -1.35 -0.53 0.00 0.82 0.00 0.00 66.70 65.68 1n8y h VAL 151 Cb 1.04 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1n8y h VAL 151 CO 0.10 0.43 0.54 -0.36 0.02 0.00 0.00 177.57 178.30 1n8y s PHE 152 N -4.49 3.47 0.65 1.57 2.99 -0.19 -0.89 117.98 121.09 1n8y s PHE 152 Ca -0.13 1.41 -0.17 0.00 0.00 0.00 0.00 56.93 58.04 1n8y s PHE 152 Cb 0.09 -3.39 -0.06 0.00 0.00 0.00 0.00 43.02 39.66 1n8y s PHE 152 CO 0.81 -1.11 0.59 -2.13 -0.00 0.00 0.00 175.22 173.39 1n8y n ARG 153 N 3.12 0.46 -0.32 0.44 3.00 -0.81 -4.78 116.66 117.76 1n8y n ARG 153 Ca 0.06 0.19 0.15 0.00 -0.00 0.00 0.00 57.85 58.26 1n8y n ARG 153 Cb 0.46 -1.84 0.34 0.00 0.00 0.00 0.00 32.46 31.43 1n8y n ARG 153 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1n8y h LYS 154 N -0.03 0.43 -0.61 -0.14 1.63 -1.89 0.53 116.57 116.49 1n8y h LYS 154 Ca -0.46 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1n8y h LYS 154 Cb 1.37 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1n8y h LYS 154 CO 0.45 0.28 0.00 0.27 -3.45 0.00 0.00 179.45 177.01 1n8y n ASN 155 N -5.00 3.50 -0.60 4.20 6.94 -1.26 -3.39 115.26 119.65 1n8y n ASN 155 Ca 0.24 -2.30 0.09 0.00 -0.02 0.00 0.00 54.58 52.59 1n8y n ASN 155 Cb 0.71 -0.48 0.22 0.00 -2.36 0.00 0.00 39.78 37.87 1n8y n ASN 155 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1n8y n ASN 156 N 0.76 3.32 0.26 0.53 5.15 0.19 -4.78 115.26 120.68 1n8y n ASN 156 Ca 0.18 -3.02 0.13 0.00 -0.60 0.00 0.00 54.58 51.27 1n8y n ASN 156 Cb 0.66 -0.50 0.67 0.00 -0.53 0.00 0.00 39.78 40.09 1n8y n ASN 156 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1n8y h GLN 157 N 1.16 0.00 -0.52 1.20 5.75 -1.55 -2.43 115.11 118.72 1n8y h GLN 157 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n8y h GLN 157 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1n8y h GLN 157 CO 0.14 0.13 0.00 1.28 -2.65 0.00 0.00 178.83 177.73 1n8y n LEU 158 N -3.46 2.42 -4.76 -2.39 4.77 -1.26 -4.95 117.00 107.37 1n8y n LEU 158 Ca -0.01 -1.22 -0.41 0.00 -0.03 0.00 0.00 56.01 54.35 1n8y n LEU 158 Cb 0.29 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1n8y n LEU 158 CO 0.30 0.46 1.00 0.00 -1.33 0.00 0.00 177.39 177.82 1n8y s ALA 159 N -1.64 3.52 0.28 -1.18 0.00 -0.92 -4.93 121.76 116.90 1n8y s ALA 159 Ca 0.25 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 1n8y s ALA 159 Cb 0.15 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1n8y s ALA 159 CO 0.13 -0.63 1.36 -1.25 0.00 0.00 0.00 175.76 175.37 1n8y s PRO 160 N -1.26 4.32 -0.34 0.00 0.04 -1.26 -4.85 135.00 131.65 1n8y s PRO 160 Ca 0.52 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1n8y s PRO 160 Cb -0.39 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.13 1n8y s PRO 160 CO 0.48 -0.29 0.07 0.08 0.04 0.00 0.00 177.00 177.39 1n8y s VAL 161 N -0.56 2.79 -0.63 -0.36 1.01 -1.26 -0.62 120.40 120.77 1n8y s VAL 161 Ca 0.54 -1.92 0.04 0.00 0.00 0.00 0.00 61.98 60.63 1n8y s VAL 161 Cb -0.40 -2.84 0.15 0.00 0.00 0.00 0.00 36.38 33.29 1n8y s VAL 161 CO 0.48 -0.44 0.40 -1.81 0.00 0.00 0.00 175.10 173.73 1n8y s ASP 162 N 1.33 4.68 -0.24 3.32 1.01 -0.08 -5.01 116.67 121.67 1n8y s ASP 162 Ca 0.04 -3.43 0.01 0.00 0.71 0.00 0.00 52.55 49.88 1n8y s ASP 162 Cb -0.21 -1.66 0.06 0.00 1.01 0.00 0.00 42.92 42.12 1n8y s ASP 162 CO -0.05 -0.17 -0.05 -0.63 0.21 0.00 0.00 175.17 174.48 1n8y s ILE 163 N -0.87 1.61 0.11 0.77 1.01 -1.26 -1.43 121.20 121.14 1n8y s ILE 163 Ca 0.21 -1.31 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 1n8y s ILE 163 Cb -0.15 -1.87 -0.07 0.00 0.01 0.00 0.00 42.46 40.38 1n8y s ILE 163 CO -0.08 -0.12 0.71 -0.62 0.00 0.00 0.00 174.94 174.82 1n8y s ASP 164 N 1.35 7.25 -0.06 3.58 3.68 -0.02 -4.99 116.67 127.46 1n8y s ASP 164 Ca -0.05 1.48 0.10 0.00 2.13 0.00 0.00 52.55 56.21 1n8y s ASP 164 Cb -0.19 -2.45 0.22 0.00 -1.45 0.00 0.00 42.92 39.06 1n8y s ASP 164 CO -0.07 0.20 1.16 0.35 0.13 0.00 0.00 175.17 176.94 1n8y n THR 165 N 1.86 1.42 -1.68 1.71 -2.24 -1.26 -4.77 114.28 109.33 1n8y n THR 165 Ca -0.07 -1.45 -0.47 0.00 -2.27 0.00 0.00 64.05 59.80 1n8y n THR 165 Cb 0.50 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1n8y n THR 165 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1n8y n ASN 166 N -0.50 3.43 -3.90 3.42 4.13 -1.26 -4.95 115.26 115.62 1n8y n ASN 166 Ca 0.10 1.00 -0.11 0.00 1.68 0.00 0.00 54.58 57.26 1n8y n ASN 166 Cb 0.49 -1.41 -0.12 0.00 -1.54 0.00 0.00 39.78 37.20 1n8y n ASN 166 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1n8y s ARG 167 N 3.03 0.27 -0.29 3.52 0.52 -1.26 -4.45 118.95 120.29 1n8y s ARG 167 Ca 0.87 -0.30 0.11 0.00 -0.52 0.00 0.00 55.73 55.89 1n8y s ARG 167 Cb -0.66 0.11 0.66 0.00 0.52 0.00 0.00 34.95 35.59 1n8y s ARG 167 CO 0.46 -0.05 1.68 -1.13 0.02 0.00 0.00 175.30 176.28 1n8y n SER 168 N 2.07 4.24 -4.01 0.23 3.41 -0.72 -4.98 113.62 113.86 1n8y n SER 168 Ca -0.19 -3.28 -0.09 0.00 -0.26 0.00 0.00 58.87 55.04 1n8y n SER 168 Cb 0.57 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 1n8y n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n8y s ARG 169 N -3.02 0.90 -0.17 4.33 1.70 -1.26 -5.03 118.95 116.40 1n8y s ARG 169 Ca 0.51 -1.20 -0.18 0.00 -0.47 0.00 0.00 55.73 54.39 1n8y s ARG 169 Cb 0.42 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 35.05 1n8y s ARG 169 CO 0.10 -0.27 0.47 0.00 -1.08 0.00 0.00 175.30 174.52 1n8y s ALA 170 N -3.95 3.52 -0.01 7.88 0.00 -1.26 -5.06 121.76 122.88 1n8y s ALA 170 Ca 0.14 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 1n8y s ALA 170 Cb 0.06 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1n8y s ALA 170 CO -0.04 -0.24 0.83 0.00 0.00 0.00 0.00 175.76 176.31 1n8y s PRO 172 N 0.67 3.12 1.18 0.00 0.04 -1.26 -5.04 135.00 133.71 1n8y s PRO 172 Ca 0.44 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1n8y s PRO 172 Cb -0.20 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.62 1n8y s PRO 172 CO 0.23 -0.97 1.11 -1.25 0.04 0.00 0.00 177.00 176.16 1n8y s PRO 173 N -4.26 -1.07 0.14 0.56 0.04 -1.26 -4.97 135.00 124.17 1n8y s PRO 173 Ca 0.63 -0.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1n8y s PRO 173 Cb -0.17 -1.61 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1n8y s PRO 173 CO 0.41 -3.62 1.25 0.00 0.04 0.00 0.00 177.00 175.08 1n8y n ALA 175 N 3.17 -1.78 -0.28 0.00 0.00 -1.25 -4.85 120.51 115.53 1n8y n ALA 175 Ca 0.07 0.43 0.08 0.00 0.00 0.00 0.00 53.44 54.02 1n8y n ALA 175 Cb 0.44 -1.80 0.22 0.00 0.00 0.00 0.00 19.45 18.32 1n8y n ALA 175 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n8y h PRO 176 N 1.65 0.44 -0.00 0.00 0.11 -1.92 -1.05 132.00 131.23 1n8y h PRO 176 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n8y h PRO 176 Cb 1.40 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8y h PRO 176 CO 0.60 0.29 0.06 0.00 -0.21 0.00 0.00 178.00 178.73 1n8y h ALA 177 N 1.59 1.06 -2.09 -0.75 0.00 -1.97 -3.41 119.26 113.70 1n8y h ALA 177 Ca 0.46 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.80 1n8y h ALA 177 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n8y h ALA 177 CO -0.44 -0.06 1.40 0.00 0.00 0.00 0.00 179.25 180.16 1n8y h LYS 179 N 13.55 0.56 -6.18 0.00 -0.00 -1.88 -3.40 116.57 119.22 1n8y h LYS 179 Ca -0.43 -0.07 -0.47 0.00 -0.00 0.00 0.00 60.65 59.68 1n8y h LYS 179 Cb 1.23 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 33.34 1n8y h LYS 179 CO 0.96 0.46 -0.43 -0.51 -0.00 0.00 0.00 179.45 179.92 1n8y s ASP 180 N -5.70 6.32 0.00 7.07 1.01 -1.26 -5.01 116.67 119.10 1n8y s ASP 180 Ca -0.13 0.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.18 1n8y s ASP 180 Cb 0.10 -1.87 -0.14 0.00 1.01 0.00 0.00 42.92 42.03 1n8y s ASP 180 CO 0.74 -0.06 2.43 -3.20 0.21 0.00 0.00 175.17 175.29 1n8y n ASN 181 N -1.34 3.94 -4.06 0.27 5.15 -1.26 -4.86 115.26 113.10 1n8y n ASN 181 Ca -0.09 -2.18 -0.24 0.00 -0.60 0.00 0.00 54.58 51.48 1n8y n ASN 181 Cb 0.57 -1.00 -0.16 0.00 -0.53 0.00 0.00 39.78 38.66 1n8y n ASN 181 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1n8y s HIS 182 N 1.20 1.37 0.15 1.20 3.76 -1.26 -4.94 115.29 116.78 1n8y s HIS 182 Ca 0.35 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.62 1n8y s HIS 182 Cb 0.17 -0.95 0.06 0.00 1.11 0.00 0.00 32.58 32.97 1n8y s HIS 182 CO 0.00 -0.16 0.75 0.00 -0.85 0.00 0.00 174.74 174.48 1n8y n TRP 184 N -0.39 0.63 0.00 0.00 7.02 0.33 -4.06 117.44 120.97 1n8y n TRP 184 Ca -0.10 -0.40 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 1n8y n TRP 184 Cb 0.62 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 1n8y n TRP 184 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n8y n GLY 185 N 1.22 0.05 0.18 6.99 0.00 -1.26 -1.78 105.19 110.59 1n8y n GLY 185 Ca 0.18 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.20 1n8y n GLY 185 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1n8y h GLU 186 N 0.00 0.00 -7.12 1.61 4.11 -1.93 -3.43 114.58 107.82 1n8y h GLU 186 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1n8y h GLU 186 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1n8y h GLU 186 CO 0.00 0.00 0.34 0.45 0.07 0.00 0.00 179.01 179.87 1n8y s SER 187 N -5.83 6.69 0.00 3.06 0.15 -1.26 -3.82 113.70 112.69 1n8y s SER 187 Ca 0.05 1.55 0.07 0.00 0.70 0.00 0.00 55.95 58.32 1n8y s SER 187 Cb 0.07 -2.50 0.32 0.00 -1.71 0.00 0.00 66.02 62.20 1n8y s SER 187 CO 0.71 -0.51 1.18 -2.65 1.20 0.00 0.00 173.24 173.17 1n8y n PRO 188 N -1.32 0.03 0.06 5.44 -0.02 -1.26 -1.14 135.00 136.79 1n8y n PRO 188 Ca 0.06 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1n8y n PRO 188 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 1n8y n PRO 188 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1n8y h GLU 189 N 0.00 0.00 -0.52 -0.52 5.08 -1.96 -3.36 114.58 113.31 1n8y h GLU 189 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n8y h GLU 189 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n8y h GLU 189 CO 0.00 0.52 0.00 -0.25 -1.00 0.00 0.00 179.01 178.28 1n8y n ASP 190 N -3.10 2.19 -4.66 1.42 8.00 -0.29 -4.93 116.55 115.18 1n8y n ASP 190 Ca -0.06 -2.16 -0.46 0.00 0.71 0.00 0.00 54.79 52.82 1n8y n ASP 190 Cb 0.87 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 1n8y n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8y s GLN 192 N 0.24 4.25 -0.22 0.00 0.74 -0.35 -4.81 119.66 119.52 1n8y s GLN 192 Ca 0.74 2.25 -0.14 0.00 0.05 0.00 0.00 55.36 58.26 1n8y s GLN 192 Cb -0.69 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 1n8y s GLN 192 CO 0.44 -0.55 0.33 0.42 -0.55 0.00 0.00 175.29 175.38 1n8y s ILE 193 N 1.26 5.24 -0.15 -2.34 1.01 -1.26 -4.91 121.20 120.05 1n8y s ILE 193 Ca 0.68 0.54 -0.13 0.00 0.00 0.00 0.00 60.65 61.74 1n8y s ILE 193 Cb -0.41 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1n8y s ILE 193 CO 0.31 0.27 0.28 -0.76 0.00 0.00 0.00 174.94 175.04 1n8y s LEU 194 N 1.32 4.26 0.00 2.97 1.43 -1.26 -4.93 118.68 122.47 1n8y s LEU 194 Ca 0.15 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1n8y s LEU 194 Cb -0.14 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1n8y s LEU 194 CO 0.07 0.13 0.45 0.35 0.23 0.00 0.00 176.35 177.58 1n8y n THR 195 N 3.40 0.10 0.03 5.49 -2.24 -1.26 -4.85 114.28 114.95 1n8y n THR 195 Ca -0.13 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1n8y n THR 195 Cb 0.52 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1n8y n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8y n GLY 196 N -0.05 -0.04 0.09 3.38 0.00 -1.26 -1.87 105.19 105.44 1n8y n GLY 196 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1n8y n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n8y n THR 197 N -3.30 0.73 1.04 2.61 -2.24 -1.26 -3.15 114.28 108.70 1n8y n THR 197 Ca 0.00 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1n8y n THR 197 Cb 0.18 -0.94 0.09 0.00 -2.10 0.00 0.00 70.33 67.56 1n8y n THR 197 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1n8y n ILE 198 N -2.07 0.00 -2.10 2.28 -5.35 -1.26 -5.00 119.36 105.85 1n8y n ILE 198 Ca 0.04 -0.36 -0.33 0.00 -0.27 0.00 0.00 62.75 61.82 1n8y n ILE 198 Cb 0.28 1.29 0.01 0.00 -1.74 0.00 0.00 39.64 39.48 1n8y n ILE 198 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n8y s THR 200 N -2.23 3.38 0.00 0.00 -4.23 -1.26 -4.94 115.64 106.37 1n8y s THR 200 Ca 0.66 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1n8y s THR 200 Cb -0.18 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1n8y s THR 200 CO 0.33 -0.53 0.00 -1.54 -0.54 0.00 0.00 174.62 172.35 1n8y n SER 201 N -3.10 0.00 -2.23 3.99 3.41 -1.26 -2.10 113.62 112.33 1n8y n SER 201 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.43 1n8y n SER 201 Cb 0.53 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1n8y n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n8y n GLY 202 N 0.00 4.99 3.43 5.00 0.00 -1.26 -4.88 105.19 112.46 1n8y n GLY 202 Ca 0.00 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.02 1n8y n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y h ALA 204 N 8.91 1.38 -3.41 0.00 0.00 -1.89 -3.43 119.26 120.81 1n8y h ALA 204 Ca -0.28 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1n8y h ALA 204 Cb 1.10 -0.14 -0.27 0.00 0.00 0.00 0.00 17.79 18.47 1n8y h ALA 204 CO 0.94 0.43 -0.58 1.03 0.00 0.00 0.00 179.25 181.07 1n8y s ARG 205 N -4.95 0.14 0.22 0.00 1.81 -1.26 -4.57 118.95 110.34 1n8y s ARG 205 Ca -0.07 0.19 -0.05 0.00 -1.72 0.00 0.00 55.73 54.08 1n8y s ARG 205 Cb 0.15 0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1n8y s ARG 205 CO 0.76 -0.03 0.26 0.00 -0.68 0.00 0.00 175.30 175.61 1n8y n LYS 207 N -0.31 1.77 -3.56 0.00 2.85 -0.44 -4.60 118.16 113.87 1n8y n LYS 207 Ca 0.01 -1.72 0.01 0.00 -1.05 0.00 0.00 58.31 55.56 1n8y n LYS 207 Cb 0.64 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 33.73 1n8y n LYS 207 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n8y n GLY 208 N 0.83 0.39 0.15 2.58 0.00 -1.26 -5.05 105.19 102.83 1n8y n GLY 208 Ca 0.11 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.22 1n8y n GLY 208 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n8y h ARG 209 N 0.00 0.00 -6.79 1.61 3.08 -1.95 -3.42 114.38 106.91 1n8y h ARG 209 Ca -0.18 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.38 1n8y h ARG 209 Cb 0.96 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.04 1n8y h ARG 209 CO 0.26 0.00 0.00 -0.51 -1.07 0.00 0.00 179.97 178.66 1n8y s LEU 210 N -5.40 3.76 0.41 3.04 1.43 -1.26 -4.08 118.68 116.58 1n8y s LEU 210 Ca 0.05 0.75 0.19 0.00 -1.03 0.00 0.00 54.13 54.10 1n8y s LEU 210 Cb 0.09 -3.67 0.89 0.00 0.03 0.00 0.00 46.19 43.53 1n8y s LEU 210 CO 0.70 -0.49 1.85 1.55 0.23 0.00 0.00 176.35 180.19 1n8y h PRO 211 N 0.40 0.00 0.00 1.29 0.13 -1.97 -1.85 132.00 130.01 1n8y h PRO 211 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n8y h PRO 211 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n8y h PRO 211 CO 0.61 0.30 0.00 2.41 -0.23 0.00 0.00 178.00 181.10 1n8y n THR 212 N -3.72 1.06 0.97 1.56 -1.04 -1.26 -1.65 114.28 110.20 1n8y n THR 212 Ca -0.01 0.69 0.11 0.00 -2.04 0.00 0.00 64.05 62.80 1n8y n THR 212 Cb 0.41 -1.68 0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1n8y n THR 212 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1n8y n ASP 213 N -2.23 2.52 -4.76 8.00 8.00 -0.69 -4.77 116.55 122.62 1n8y n ASP 213 Ca -0.01 -1.76 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 1n8y n ASP 213 Cb 0.05 0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1n8y n ASP 213 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8y n HIS 216 N -0.07 0.43 0.31 0.00 -0.00 -1.20 -4.74 115.22 109.96 1n8y n HIS 216 Ca 0.02 0.76 0.19 0.00 0.46 0.00 0.00 57.72 59.15 1n8y n HIS 216 Cb 0.53 -2.12 1.01 0.00 -0.12 0.00 0.00 29.99 29.28 1n8y n HIS 216 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1n8y h GLU 217 N 1.47 0.00 -0.00 1.57 -0.00 -1.95 -0.91 114.58 114.76 1n8y h GLU 217 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 1n8y h GLU 217 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 1n8y h GLU 217 CO 0.58 0.02 -0.29 1.04 -0.00 0.00 0.00 179.01 180.36 1n8y n GLN 218 N -3.28 0.32 -1.67 1.06 1.13 -1.26 -4.87 117.38 108.81 1n8y n GLN 218 Ca -0.02 -0.15 -0.32 0.00 -1.94 0.00 0.00 57.00 54.57 1n8y n GLN 218 Cb 0.14 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.05 1n8y n GLN 218 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8y n ALA 220 N -2.71 1.89 0.00 0.00 0.00 0.19 -4.37 120.51 115.50 1n8y n ALA 220 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1n8y n ALA 220 Cb 0.53 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1n8y n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8y n ALA 221 N -2.45 1.85 0.00 0.00 0.00 -1.26 -4.76 120.51 113.90 1n8y n ALA 221 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n8y n ALA 221 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1n8y n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8y n GLY 222 N 2.44 -0.75 3.66 0.00 0.00 -1.26 -4.75 105.19 104.53 1n8y n GLY 222 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1n8y n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y h THR 224 N 2.05 0.72 -0.60 0.00 2.02 -1.08 -3.44 112.91 112.58 1n8y h THR 224 Ca -0.25 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1n8y h THR 224 Cb 1.27 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1n8y h THR 224 CO 0.30 0.41 0.00 0.61 0.37 0.00 0.00 175.52 177.22 1n8y n GLY 225 N 1.44 2.95 0.13 2.16 0.00 -1.26 -5.07 105.19 105.54 1n8y n GLY 225 Ca -0.11 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1n8y n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8y h PRO 226 N 0.00 0.00 -7.41 1.61 0.13 -1.86 -3.41 132.00 121.05 1n8y h PRO 226 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1n8y h PRO 226 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1n8y h PRO 226 CO 0.00 0.00 0.33 0.15 -0.23 0.00 0.00 178.00 178.25 1n8y s LYS 227 N -3.24 2.46 0.00 0.86 1.02 -1.26 -3.24 119.74 116.34 1n8y s LYS 227 Ca 0.05 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.20 1n8y s LYS 227 Cb 0.10 -2.08 0.25 0.00 -0.52 0.00 0.00 37.83 35.57 1n8y s LYS 227 CO 0.72 -1.18 1.17 -2.39 -0.92 0.00 0.00 175.35 172.75 1n8y n HIS 228 N -3.00 0.09 0.38 3.18 1.44 -1.26 -2.74 115.22 113.31 1n8y n HIS 228 Ca 0.07 -0.05 0.06 0.00 -2.01 0.00 0.00 57.72 55.80 1n8y n HIS 228 Cb 0.59 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.78 1n8y n HIS 228 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1n8y n SER 229 N -0.33 2.30 -0.40 4.39 3.41 -1.26 -0.67 113.62 121.06 1n8y n SER 229 Ca 0.05 -1.64 0.06 0.00 -0.26 0.00 0.00 58.87 57.08 1n8y n SER 229 Cb 0.07 -0.06 0.14 0.00 -0.26 0.00 0.00 64.21 64.10 1n8y n SER 229 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n8y n ASP 230 N 0.72 2.78 -4.78 4.04 8.00 -1.11 -4.95 116.55 121.25 1n8y n ASP 230 Ca 0.09 -2.51 -0.34 0.00 0.71 0.00 0.00 54.79 52.74 1n8y n ASP 230 Cb 0.35 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1n8y n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8y h LEU 232 N 0.92 0.01 -7.25 0.00 3.38 -0.71 -3.45 115.31 108.20 1n8y h LEU 232 Ca -0.49 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1n8y h LEU 232 Cb 1.24 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 1n8y h LEU 232 CO 0.57 1.00 -0.00 0.00 0.09 0.00 0.00 178.44 180.10 1n8y s ALA 233 N -2.71 -1.23 0.02 1.53 0.00 -1.26 -4.91 121.76 113.21 1n8y s ALA 233 Ca 0.01 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1n8y s ALA 233 Cb 0.10 0.41 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1n8y s ALA 233 CO 0.82 -0.51 0.52 0.00 0.00 0.00 0.00 175.76 176.60 1n8y h LEU 235 N 5.05 0.80 0.00 0.00 6.46 -1.22 -3.43 115.31 122.98 1n8y h LEU 235 Ca -0.48 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1n8y h LEU 235 Cb 1.21 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1n8y h LEU 235 CO 0.66 0.83 0.00 1.41 -0.62 0.00 0.00 178.44 180.71 1n8y n HIS 236 N -4.43 0.00 -3.93 1.25 8.25 -1.26 -5.02 115.22 110.08 1n8y n HIS 236 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 1n8y n HIS 236 Cb 0.23 0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 1n8y n HIS 236 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1n8y s PHE 237 N -0.91 0.14 -0.44 4.41 0.40 -0.90 -4.46 117.98 116.20 1n8y s PHE 237 Ca 0.00 -0.01 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 1n8y s PHE 237 Cb 0.00 -0.12 0.03 0.00 0.51 0.00 0.00 43.02 43.44 1n8y s PHE 237 CO 0.00 -0.02 0.57 1.21 0.70 0.00 0.00 175.22 177.68 1n8y s ASN 238 N 0.14 6.26 -1.01 1.36 3.84 0.35 -0.65 114.94 125.23 1n8y s ASN 238 Ca -0.01 -0.54 -0.06 0.00 0.21 0.00 0.00 52.86 52.46 1n8y s ASN 238 Cb -0.03 -2.28 0.25 0.00 -0.55 0.00 0.00 41.25 38.64 1n8y s ASN 238 CO -0.00 -0.73 0.96 -2.28 -2.79 0.00 0.00 177.10 172.26 1n8y s HIS 239 N 2.56 4.10 -1.39 0.43 5.65 -0.37 -1.40 115.29 124.87 1n8y s HIS 239 Ca 0.18 -2.82 -0.04 0.00 0.25 0.00 0.00 55.06 52.63 1n8y s HIS 239 Cb -0.16 -3.58 0.03 0.00 -1.18 0.00 0.00 32.58 27.69 1n8y s HIS 239 CO 0.16 -0.86 0.71 0.43 -0.65 0.00 0.00 174.74 174.53 1n8y n SER 240 N 2.57 -1.93 0.00 9.88 7.64 -1.26 -2.72 113.62 127.81 1n8y n SER 240 Ca 0.22 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1n8y n SER 240 Cb 0.38 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 1n8y n SER 240 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n8y n GLY 241 N -1.68 0.69 3.09 0.23 0.00 -1.26 -5.05 105.19 101.20 1n8y n GLY 241 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1n8y n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8y s ILE 242 N -2.06 1.73 0.04 -0.61 1.09 -1.10 -4.25 121.20 116.03 1n8y s ILE 242 Ca 0.00 -0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 58.48 1n8y s ILE 242 Cb 0.00 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.79 1n8y s ILE 242 CO 0.00 0.49 1.04 0.00 -0.10 0.00 0.00 174.94 176.36 1n8y s GLU 244 N 0.81 0.41 0.21 0.00 2.02 0.18 -4.87 118.70 117.46 1n8y s GLU 244 Ca 0.53 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.68 1n8y s GLU 244 Cb -0.24 0.15 0.15 0.00 0.10 0.00 0.00 34.13 34.29 1n8y s GLU 244 CO 0.29 -0.08 1.69 1.25 0.02 0.00 0.00 175.26 178.43 1n8y h LEU 245 N 4.18 0.98 -8.23 1.80 5.85 -1.95 -2.40 115.31 115.54 1n8y h LEU 245 Ca -0.32 -0.26 -0.26 0.00 0.84 0.00 0.00 57.88 57.88 1n8y h LEU 245 Cb 1.19 -0.26 -0.20 0.00 0.37 0.00 0.00 40.66 41.76 1n8y h LEU 245 CO 0.48 1.02 -0.73 -1.00 -0.34 0.00 0.00 178.44 177.87 1n8y s HIS 246 N -5.06 0.72 0.49 1.25 3.76 -1.26 -4.65 115.29 110.54 1n8y s HIS 246 Ca -0.11 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.02 1n8y s HIS 246 Cb 0.14 -0.43 -0.08 0.00 1.11 0.00 0.00 32.58 33.32 1n8y s HIS 246 CO 0.84 -0.10 1.02 0.00 -0.85 0.00 0.00 174.74 175.66 1n8y s PRO 248 N -3.41 4.19 0.72 0.00 0.02 -1.26 -4.89 135.00 130.37 1n8y s PRO 248 Ca 0.65 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.88 1n8y s PRO 248 Cb -0.14 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.43 1n8y s PRO 248 CO 0.22 -0.38 1.15 0.00 -0.33 0.00 0.00 177.00 177.66 1n8y s ALA 249 N -1.15 2.23 -0.23 -1.55 0.00 -1.26 -1.70 121.76 118.09 1n8y s ALA 249 Ca 0.52 0.64 0.18 0.00 0.00 0.00 0.00 51.96 53.30 1n8y s ALA 249 Cb -0.42 -3.38 0.19 0.00 0.00 0.00 0.00 23.12 19.50 1n8y s ALA 249 CO 0.56 -1.68 1.51 -0.07 0.00 0.00 0.00 175.76 176.09 1n8y h LEU 250 N -0.38 0.00 -7.98 0.00 3.38 -1.87 -3.28 115.31 105.17 1n8y h LEU 250 Ca -0.46 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.13 1n8y h LEU 250 Cb 1.26 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.73 1n8y h LEU 250 CO 0.51 0.33 -0.77 -0.69 0.09 0.00 0.00 178.44 177.91 1n8y s VAL 251 N -3.07 0.62 0.20 1.22 1.01 -1.26 -0.88 120.40 118.24 1n8y s VAL 251 Ca 0.05 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1n8y s VAL 251 Cb 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1n8y s VAL 251 CO 0.72 0.18 -0.19 -0.89 0.00 0.00 0.00 175.10 174.92 1n8y s THR 252 N -0.12 2.62 0.15 3.92 2.01 0.50 -4.87 115.64 119.85 1n8y s THR 252 Ca 0.02 -1.96 0.09 0.00 0.31 0.00 0.00 61.69 60.15 1n8y s THR 252 Cb -0.04 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1n8y s THR 252 CO -0.00 -0.15 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.34 1n8y s TYR 253 N -1.77 2.59 0.00 4.92 1.51 -1.26 0.87 117.35 124.20 1n8y s TYR 253 Ca 0.23 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1n8y s TYR 253 Cb -0.08 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1n8y s TYR 253 CO 0.12 0.46 0.00 0.39 -1.11 0.00 0.00 175.55 175.41 1n8y n GLU 259 N 0.39 0.00 -4.60 -0.62 -0.58 -1.26 -4.71 120.64 109.26 1n8y n GLU 259 Ca -0.13 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.29 1n8y n GLU 259 Cb 0.54 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.30 1n8y n GLU 259 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1n8y s SER 260 N 0.00 4.43 0.09 1.62 1.04 -1.26 -5.14 113.70 114.48 1n8y s SER 260 Ca 0.00 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 1n8y s SER 260 Cb 0.00 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.08 1n8y s SER 260 CO 0.00 0.31 0.06 0.00 0.98 0.00 0.00 173.24 174.59 1n8y s MET 261 N -1.15 0.79 0.16 4.02 0.00 0.25 -4.96 119.30 118.41 1n8y s MET 261 Ca 0.15 -1.25 -0.30 0.00 0.00 0.00 0.00 55.69 54.29 1n8y s MET 261 Cb -0.11 0.25 -0.08 0.00 0.00 0.00 0.00 34.83 34.90 1n8y s MET 261 CO 0.05 -0.21 1.25 -1.58 0.00 0.00 0.00 175.02 174.53 1n8y s HIS 262 N -3.96 3.36 -0.36 3.16 5.65 -1.26 -0.37 115.29 121.51 1n8y s HIS 262 Ca 0.13 1.29 -0.14 0.00 0.25 0.00 0.00 55.06 56.59 1n8y s HIS 262 Cb 0.07 -3.51 -0.01 0.00 -1.18 0.00 0.00 32.58 27.96 1n8y s HIS 262 CO -0.06 -1.54 0.30 1.21 -0.65 0.00 0.00 174.74 174.01 1n8y s ASN 263 N 0.44 6.12 0.00 9.88 2.47 -0.06 -4.83 114.94 128.96 1n8y s ASN 263 Ca 0.56 -0.45 0.21 0.00 0.42 0.00 0.00 52.86 53.60 1n8y s ASN 263 Cb -0.34 -2.17 1.12 0.00 -1.45 0.00 0.00 41.25 38.42 1n8y s ASN 263 CO 0.35 -0.32 1.64 -0.81 -3.72 0.00 0.00 177.10 174.23 1n8y n PRO 264 N 5.24 0.44 0.00 0.43 -0.04 -1.26 -0.18 135.00 139.63 1n8y n PRO 264 Ca -0.11 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1n8y n PRO 264 Cb 0.49 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1n8y n PRO 264 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n8y n GLU 265 N -1.16 0.24 -1.50 0.54 -0.58 -1.26 -5.01 120.64 111.91 1n8y n GLU 265 Ca 0.12 -0.19 -0.48 0.00 -0.42 0.00 0.00 57.16 56.20 1n8y n GLU 265 Cb 0.12 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 1n8y n GLU 265 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n8y n GLY 266 N 1.48 -0.89 3.07 0.62 0.00 0.75 -4.70 105.19 105.51 1n8y n GLY 266 Ca 0.06 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1n8y n GLY 266 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8y s ARG 267 N -1.06 0.55 0.09 1.61 1.81 -0.69 -4.82 118.95 116.45 1n8y s ARG 267 Ca 0.65 -0.81 -0.09 0.00 -1.72 0.00 0.00 55.73 53.76 1n8y s ARG 267 Cb -0.86 -0.27 -0.06 0.00 -0.45 0.00 0.00 34.95 33.31 1n8y s ARG 267 CO 0.57 0.04 0.41 0.71 -0.68 0.00 0.00 175.30 176.35 1n8y s TYR 268 N -1.60 3.57 -0.20 -0.53 1.51 0.90 -4.64 117.35 116.36 1n8y s TYR 268 Ca -0.08 0.77 -0.20 0.00 -1.01 0.00 0.00 57.07 56.56 1n8y s TYR 268 Cb -0.09 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1n8y s TYR 268 CO -0.00 0.50 0.57 0.95 -1.11 0.00 0.00 175.55 176.46 1n8y s THR 269 N -1.44 5.06 -0.18 -0.71 -4.23 -0.82 0.32 115.64 113.64 1n8y s THR 269 Ca 0.34 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.89 1n8y s THR 269 Cb -0.14 -3.89 0.05 0.00 1.34 0.00 0.00 72.50 69.87 1n8y s THR 269 CO 0.19 0.14 0.03 0.12 -0.54 0.00 0.00 174.62 174.55 1n8y s PHE 270 N 1.83 1.03 0.00 3.99 5.36 -0.21 -2.35 117.98 127.62 1n8y s PHE 270 Ca 0.26 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1n8y s PHE 270 Cb -0.16 -1.02 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 1n8y s PHE 270 CO 0.10 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.69 1n8y n GLY 271 N 5.05 3.74 2.19 13.12 0.00 -1.26 -1.35 105.19 126.68 1n8y n GLY 271 Ca -0.09 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1n8y n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y n ALA 272 N 11.91 5.81 -2.61 4.61 0.00 -1.26 -4.93 120.51 134.04 1n8y n ALA 272 Ca 0.00 -3.19 -0.12 0.00 0.00 0.00 0.00 53.44 50.13 1n8y n ALA 272 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 1n8y n ALA 272 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n8y s SER 273 N -1.68 0.97 -0.33 0.00 1.04 -0.46 -0.50 113.70 112.74 1n8y s SER 273 Ca 0.59 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 1n8y s SER 273 Cb 0.48 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1n8y s SER 273 CO 0.05 -0.30 0.17 0.00 0.98 0.00 0.00 173.24 174.14 1n8y s VAL 275 N 1.59 3.45 0.34 0.00 -7.23 0.15 -4.67 120.40 114.04 1n8y s VAL 275 Ca 0.04 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 1n8y s VAL 275 Cb -0.18 -2.54 0.16 0.00 0.56 0.00 0.00 36.38 34.39 1n8y s VAL 275 CO 0.06 0.28 1.88 0.74 -0.31 0.00 0.00 175.10 177.75 1n8y h THR 276 N 3.57 1.19 -3.19 5.32 2.02 -1.88 0.26 112.91 120.20 1n8y h THR 276 Ca -0.48 -0.76 -0.15 0.00 0.77 0.00 0.00 66.41 65.79 1n8y h THR 276 Cb 1.16 0.92 -0.23 0.00 -1.74 0.00 0.00 68.15 68.27 1n8y h THR 276 CO 0.53 0.26 -0.40 0.28 0.37 0.00 0.00 175.52 176.56 1n8y s THR 277 N -4.99 0.03 0.38 3.16 -1.32 -1.26 -4.69 115.64 106.95 1n8y s THR 277 Ca -0.08 -0.27 -0.27 0.00 -1.21 0.00 0.00 61.69 59.86 1n8y s THR 277 Cb 0.16 -0.44 -0.11 0.00 -1.51 0.00 0.00 72.50 70.60 1n8y s THR 277 CO 0.76 -0.15 1.43 0.00 -2.21 0.00 0.00 174.62 174.45 1n8y s PRO 279 N -2.11 2.48 0.21 0.00 0.04 -1.26 -4.93 135.00 129.43 1n8y s PRO 279 Ca 0.55 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1n8y s PRO 279 Cb -0.49 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 31.98 1n8y s PRO 279 CO 0.62 -1.52 0.59 0.98 0.04 0.00 0.00 177.00 177.72 1n8y n TYR 280 N -2.63 -0.24 -0.94 0.56 9.36 -1.26 -2.05 117.16 119.96 1n8y n TYR 280 Ca 0.11 0.94 0.00 0.00 3.32 0.00 0.00 57.90 62.27 1n8y n TYR 280 Cb 0.51 -2.00 0.00 0.00 -0.63 0.00 0.00 39.34 37.22 1n8y n TYR 280 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1n8y n ASN 281 N 1.89 0.00 -4.88 2.98 5.15 -1.26 -5.01 115.26 114.13 1n8y n ASN 281 Ca 0.17 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.90 1n8y n ASN 281 Cb 0.25 -0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 39.40 1n8y n ASN 281 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1n8y s TYR 282 N -3.87 3.30 0.09 1.20 1.51 -0.87 -4.86 117.35 113.85 1n8y s TYR 282 Ca 0.00 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1n8y s TYR 282 Cb 0.00 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1n8y s TYR 282 CO 0.00 0.50 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.41 1n8y s LEU 283 N -3.42 3.34 -0.09 -1.29 2.01 0.03 -4.55 118.68 114.70 1n8y s LEU 283 Ca 0.33 -0.23 -0.11 0.00 0.01 0.00 0.00 54.13 54.13 1n8y s LEU 283 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 43.97 1n8y s LEU 283 CO 0.26 0.18 0.26 -0.44 1.01 0.00 0.00 176.35 177.63 1n8y s SER 284 N -2.25 6.53 0.30 2.29 0.01 -0.93 -1.40 113.70 118.25 1n8y s SER 284 Ca 0.24 0.63 0.01 0.00 1.31 0.00 0.00 55.95 58.14 1n8y s SER 284 Cb -0.11 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1n8y s SER 284 CO 0.17 0.30 0.49 -0.89 0.41 0.00 0.00 173.24 173.71 1n8y s THR 285 N -0.62 5.14 0.21 1.44 2.01 -0.40 -0.08 115.64 123.33 1n8y s THR 285 Ca 0.18 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 1n8y s THR 285 Cb -0.14 -3.83 0.15 0.00 0.01 0.00 0.00 72.50 68.69 1n8y s THR 285 CO 0.07 -0.44 1.72 -0.08 -0.69 0.00 0.00 174.62 175.20 1n8y h GLU 286 N 1.10 0.30 0.00 4.92 4.81 -1.91 -0.04 114.58 123.77 1n8y h GLU 286 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1n8y h GLU 286 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1n8y h GLU 286 CO 0.63 0.20 0.00 0.28 -0.73 0.00 0.00 179.01 179.39 1n8y n VAL 287 N -5.08 0.00 -3.01 0.32 0.31 -1.26 -4.86 118.33 104.75 1n8y n VAL 287 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1n8y n VAL 287 Cb 0.30 -0.56 0.04 0.00 -0.91 0.00 0.00 33.84 32.70 1n8y n VAL 287 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n8y n GLY 288 N -0.07 0.15 3.86 2.92 0.00 -0.03 -4.89 105.19 107.13 1n8y n GLY 288 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1n8y n GLY 288 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8y s SER 289 N -3.12 5.48 -0.16 1.61 1.04 -1.26 -1.95 113.70 115.34 1n8y s SER 289 Ca 0.29 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 1n8y s SER 289 Cb -0.13 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.77 1n8y s SER 289 CO 0.35 -0.23 0.01 0.00 0.98 0.00 0.00 173.24 174.35 1n8y s THR 291 N 0.21 1.26 -0.22 0.00 -4.23 -0.49 -4.92 115.64 107.25 1n8y s THR 291 Ca 0.01 -2.09 0.19 0.00 -1.18 0.00 0.00 61.69 58.62 1n8y s THR 291 Cb -0.13 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.71 1n8y s THR 291 CO 0.02 -0.59 1.19 -0.07 -0.54 0.00 0.00 174.62 174.63 1n8y h LEU 292 N 2.64 0.00 -7.69 4.79 3.38 -1.89 0.14 115.31 116.68 1n8y h LEU 292 Ca -0.37 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.18 1n8y h LEU 292 Cb 1.21 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.61 1n8y h LEU 292 CO 0.64 0.31 -0.77 -0.69 0.09 0.00 0.00 178.44 178.01 1n8y s VAL 293 N -3.10 0.53 0.53 1.22 1.01 -1.26 -4.91 120.40 114.43 1n8y s VAL 293 Ca 0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1n8y s VAL 293 Cb 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1n8y s VAL 293 CO 0.76 0.24 1.34 0.00 0.00 0.00 0.00 175.10 177.44 1n8y n PRO 295 N -0.94 -0.21 -1.67 0.00 -0.02 -1.26 -4.91 135.00 125.99 1n8y n PRO 295 Ca 0.10 -0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 1n8y n PRO 295 Cb 0.45 -1.94 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1n8y n PRO 295 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1n8y n PRO 296 N -1.93 1.33 -3.57 0.52 -0.04 -1.26 -2.67 135.00 127.39 1n8y n PRO 296 Ca 0.08 0.50 -0.26 0.00 -0.04 0.00 0.00 63.50 63.77 1n8y n PRO 296 Cb 0.53 -2.33 0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1n8y n PRO 296 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n8y n ASN 297 N -0.64 -5.14 -4.94 3.54 3.02 -1.26 -4.95 115.26 104.88 1n8y n ASN 297 Ca 0.11 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 53.91 1n8y n ASN 297 Cb 0.45 -4.12 -0.01 0.00 -0.61 0.00 0.00 39.78 35.48 1n8y n ASN 297 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1n8y s ASN 298 N -3.06 5.37 0.17 6.41 -0.87 -1.09 -1.60 114.94 120.27 1n8y s ASN 298 Ca 0.53 -0.56 0.08 0.00 -1.57 0.00 0.00 52.86 51.33 1n8y s ASN 298 Cb -0.26 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.25 40.27 1n8y s ASN 298 CO 0.65 -0.68 -0.16 0.00 -2.57 0.00 0.00 177.10 174.34 1n8y s GLN 299 N -4.22 1.25 -0.26 -0.60 -2.07 0.12 -4.80 119.66 109.08 1n8y s GLN 299 Ca 0.51 -1.44 -0.19 0.00 -1.82 0.00 0.00 55.36 52.42 1n8y s GLN 299 Cb -0.07 -1.19 -0.02 0.00 -1.09 0.00 0.00 33.01 30.64 1n8y s GLN 299 CO 0.30 0.22 0.55 -1.21 -1.32 0.00 0.00 175.29 173.84 1n8y s GLU 300 N -3.08 4.08 -0.14 9.60 2.02 -1.26 -1.77 118.70 128.16 1n8y s GLU 300 Ca 0.17 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.54 1n8y s GLU 300 Cb -0.04 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 1n8y s GLU 300 CO 0.06 -0.37 -0.09 0.54 0.02 0.00 0.00 175.26 175.42 1n8y s VAL 301 N 2.36 3.43 -0.54 2.63 0.11 -0.30 -4.94 120.40 123.15 1n8y s VAL 301 Ca 0.23 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.53 1n8y s VAL 301 Cb -0.16 -2.47 0.05 0.00 -1.53 0.00 0.00 36.38 32.27 1n8y s VAL 301 CO 0.09 0.51 0.81 -0.89 -3.33 0.00 0.00 175.10 172.29 1n8y s THR 302 N 0.34 4.59 0.28 5.04 2.01 -1.26 -1.08 115.64 125.56 1n8y s THR 302 Ca -0.08 -0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 1n8y s THR 302 Cb -0.15 -4.44 -0.14 0.00 0.01 0.00 0.00 72.50 67.77 1n8y s THR 302 CO 0.04 -0.99 0.99 0.00 -0.69 0.00 0.00 174.62 173.97 1n8y n ALA 303 N 6.92 -0.41 0.10 7.40 0.00 -0.57 -4.75 120.51 129.21 1n8y n ALA 303 Ca -0.02 0.40 0.16 0.00 0.00 0.00 0.00 53.44 53.97 1n8y n ALA 303 Cb 0.46 -2.00 0.41 0.00 0.00 0.00 0.00 19.45 18.33 1n8y n ALA 303 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1n8y h GLU 304 N 2.02 0.00 0.00 0.00 5.08 -1.95 -2.82 114.58 116.91 1n8y h GLU 304 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1n8y h GLU 304 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1n8y h GLU 304 CO 0.61 0.00 -0.71 -0.40 -1.00 0.00 0.00 179.01 177.51 1n8y n ASP 305 N -3.02 2.47 0.00 1.42 5.75 -1.26 -5.03 116.55 116.89 1n8y n ASP 305 Ca 0.09 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 1n8y n ASP 305 Cb 1.02 1.08 0.00 0.00 -1.03 0.00 0.00 41.12 42.19 1n8y n ASP 305 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n8y n GLY 306 N 1.78 0.35 3.38 6.12 0.00 -1.06 -5.14 105.19 110.60 1n8y n GLY 306 Ca -0.00 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1n8y n GLY 306 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n8y n THR 307 N 0.00 1.26 -4.72 2.61 -1.04 -1.26 -4.81 114.28 106.32 1n8y n THR 307 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 1n8y n THR 307 Cb 0.00 -0.34 -0.15 0.00 -1.82 0.00 0.00 70.33 68.02 1n8y n THR 307 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1n8y s GLN 308 N -1.44 1.36 0.06 -2.82 -0.21 -1.26 -1.51 119.66 113.84 1n8y s GLN 308 Ca 0.62 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 55.27 1n8y s GLN 308 Cb -0.55 -1.38 -0.03 0.00 1.00 0.00 0.00 33.01 32.05 1n8y s GLN 308 CO 0.60 0.36 -0.07 -0.98 -2.12 0.00 0.00 175.29 173.09 1n8y s ARG 309 N -0.75 0.63 -0.01 2.91 1.70 -0.24 -2.20 118.95 121.00 1n8y s ARG 309 Ca 0.06 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.08 1n8y s ARG 309 Cb -0.08 -0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1n8y s ARG 309 CO 0.00 0.01 0.80 0.00 -1.08 0.00 0.00 175.30 175.03 1n8y s GLU 311 N 0.55 -0.03 0.48 0.00 2.12 -0.73 -4.10 118.70 116.99 1n8y s GLU 311 Ca 0.42 0.36 -0.24 0.00 0.36 0.00 0.00 54.97 55.87 1n8y s GLU 311 Cb -0.20 -0.36 -0.07 0.00 0.26 0.00 0.00 34.13 33.76 1n8y s GLU 311 CO 0.23 -0.27 1.35 1.17 -0.54 0.00 0.00 175.26 177.20 1n8y n LYS 312 N 4.88 1.92 -3.06 4.30 0.00 -1.26 0.12 118.16 125.07 1n8y n LYS 312 Ca -0.13 0.69 -0.40 0.00 0.00 0.00 0.00 58.31 58.47 1n8y n LYS 312 Cb 0.50 -2.53 -0.05 0.00 0.00 0.00 0.00 35.03 32.95 1n8y n LYS 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n8y h SER 314 N 7.39 0.02 -1.10 0.00 4.64 -1.93 -3.44 113.55 119.12 1n8y h SER 314 Ca -0.31 -0.25 -0.48 0.00 -0.47 0.00 0.00 61.79 60.27 1n8y h SER 314 Cb 1.14 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1n8y h SER 314 CO 0.79 0.27 -0.23 -1.59 -0.87 0.00 0.00 176.83 175.19 1n8y s LYS 315 N -5.20 2.50 -0.28 4.77 0.00 -1.26 -5.05 119.74 115.23 1n8y s LYS 315 Ca -0.14 -1.55 -0.26 0.00 0.00 0.00 0.00 55.97 54.02 1n8y s LYS 315 Cb 0.04 -2.55 -0.11 0.00 0.00 0.00 0.00 37.83 35.21 1n8y s LYS 315 CO 0.67 -0.51 0.96 -2.30 0.00 0.00 0.00 175.35 174.17 1n8y n PRO 316 N -1.92 0.00 -1.65 1.78 -0.02 -1.26 -4.89 135.00 127.04 1n8y n PRO 316 Ca 0.08 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.12 1n8y n PRO 316 Cb 0.61 -0.83 -0.02 0.00 -0.02 0.00 0.00 33.50 33.24 1n8y n PRO 316 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8y n ALA 318 N 0.76 0.08 -1.83 0.00 0.00 -1.26 -4.92 120.51 113.33 1n8y n ALA 318 Ca 0.08 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1n8y n ALA 318 Cb 0.33 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 1n8y n ALA 318 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n8y s ARG 319 N -2.09 4.19 0.09 0.00 3.52 -1.26 -5.01 118.95 118.39 1n8y s ARG 319 Ca 0.65 2.44 0.03 0.00 -0.13 0.00 0.00 55.73 58.73 1n8y s ARG 319 Cb -0.54 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1n8y s ARG 319 CO 0.56 -0.57 -0.10 0.54 -0.81 0.00 0.00 175.30 174.92 1n8y s VAL 320 N 0.37 0.89 -0.43 7.11 0.11 -1.26 -5.12 120.40 122.07 1n8y s VAL 320 Ca 0.65 -1.61 -0.19 0.00 -2.93 0.00 0.00 61.98 57.90 1n8y s VAL 320 Cb -0.45 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1n8y s VAL 320 CO 0.41 -0.56 0.52 0.00 -3.33 0.00 0.00 175.10 172.14 1n8y s TYR 322 N 2.41 3.59 0.22 0.00 1.51 -1.26 -1.13 117.35 122.69 1n8y s TYR 322 Ca 0.16 0.94 0.04 0.00 -1.01 0.00 0.00 57.07 57.20 1n8y s TYR 322 Cb -0.16 -2.47 0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1n8y s TYR 322 CO 0.16 0.33 0.30 0.41 -1.11 0.00 0.00 175.55 175.64 1n8y n GLY 323 N 2.76 1.92 3.62 0.71 0.00 -0.21 -4.89 105.19 109.09 1n8y n GLY 323 Ca -0.09 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 1n8y n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8y n LEU 324 N 0.00 2.53 0.00 0.99 4.77 0.32 -3.22 117.00 122.39 1n8y n LEU 324 Ca 0.06 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 1n8y n LEU 324 Cb 0.23 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1n8y n LEU 324 CO 0.15 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 175.55 1n8y n GLY 325 N 1.11 0.77 3.04 -0.72 0.00 0.00 -1.03 105.19 108.36 1n8y n GLY 325 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1n8y n GLY 325 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n8y s MET 326 N -0.56 0.18 8.00 1.61 0.00 -1.20 -4.56 119.30 122.78 1n8y s MET 326 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 55.69 56.38 1n8y s MET 326 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 34.83 34.78 1n8y s MET 326 CO 0.00 -0.24 0.00 -1.91 0.00 0.00 0.00 175.02 172.87 1n8y n GLU 327 N 4.95 0.00 0.00 4.11 4.07 -1.26 -1.32 120.64 131.19 1n8y n GLU 327 Ca -0.13 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.13 1n8y n GLU 327 Cb 0.51 0.00 0.86 0.00 -0.06 0.00 0.00 31.44 32.75 1n8y n GLU 327 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1n8y n HIS 328 N 13.99 0.00 -0.66 4.31 1.44 -1.26 -2.49 115.22 130.55 1n8y n HIS 328 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1n8y n HIS 328 Cb 0.00 -0.10 0.21 0.00 0.12 0.00 0.00 29.99 30.22 1n8y n HIS 328 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1n8y n LEU 329 N -1.06 3.48 -0.29 2.39 4.77 -0.44 -4.72 117.00 121.14 1n8y n LEU 329 Ca 0.20 -2.61 0.11 0.00 -0.03 0.00 0.00 56.01 53.68 1n8y n LEU 329 Cb 0.17 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 1n8y n LEU 329 CO 0.20 0.69 0.91 -0.09 -1.33 0.00 0.00 177.39 177.77 1n8y h ARG 330 N 1.86 0.17 -0.03 3.23 2.43 -1.41 0.20 114.38 120.83 1n8y h ARG 330 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n8y h ARG 330 Cb 1.15 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1n8y h ARG 330 CO 0.13 0.11 -0.06 0.41 -1.51 0.00 0.00 179.97 179.05 1n8y n GLY 331 N -1.40 0.77 3.73 2.80 0.00 -1.26 -4.16 105.19 105.67 1n8y n GLY 331 Ca 0.20 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1n8y n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y s ALA 332 N -1.97 3.42 0.00 4.61 0.00 -0.85 -4.97 121.76 122.00 1n8y s ALA 332 Ca 0.25 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 1n8y s ALA 332 Cb 0.19 -3.43 -0.34 0.00 0.00 0.00 0.00 23.12 19.54 1n8y s ALA 332 CO 0.32 -0.39 0.92 0.00 0.00 0.00 0.00 175.76 176.61 1n8y h ARG 333 N 5.88 0.48 -3.53 0.00 3.08 -1.94 -3.41 114.38 114.93 1n8y h ARG 333 Ca -0.43 -0.82 -0.08 0.00 0.07 0.00 0.00 59.98 58.72 1n8y h ARG 333 Cb 1.21 0.30 -0.15 0.00 0.08 0.00 0.00 29.97 31.42 1n8y h ARG 333 CO 0.77 1.39 -0.27 0.00 -1.07 0.00 0.00 179.97 180.79 1n8y s ALA 334 N -2.56 -0.53 0.36 0.04 0.00 -1.26 -4.77 121.76 113.03 1n8y s ALA 334 Ca -0.11 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 1n8y s ALA 334 Cb 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1n8y s ALA 334 CO 0.91 -0.49 1.02 0.42 0.00 0.00 0.00 175.76 177.62 1n8y s ILE 335 N -3.30 3.84 0.26 0.00 -1.09 -0.32 -4.98 121.20 115.62 1n8y s ILE 335 Ca 0.00 1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 59.82 1n8y s ILE 335 Cb 0.02 -3.83 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1n8y s ILE 335 CO -0.08 0.11 0.50 -0.89 -1.23 0.00 0.00 174.94 173.34 1n8y s THR 336 N -1.57 0.00 0.24 2.92 2.01 -1.26 -4.47 115.64 113.51 1n8y s THR 336 Ca 0.53 -1.41 0.20 0.00 0.31 0.00 0.00 61.69 61.32 1n8y s THR 336 Cb -0.22 -2.28 0.16 0.00 0.01 0.00 0.00 72.50 70.17 1n8y s THR 336 CO 0.28 0.00 1.81 0.77 -0.69 0.00 0.00 174.62 176.80 1n8y h SER 337 N 2.22 0.00 1.51 3.53 4.64 -1.85 0.18 113.55 123.78 1n8y h SER 337 Ca -0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1n8y h SER 337 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n8y h SER 337 CO 0.36 0.32 -0.11 0.44 -0.87 0.00 0.00 176.83 176.97 1n8y h ASP 338 N 0.00 0.00 -0.00 4.97 3.32 -1.96 -3.35 116.42 119.39 1n8y h ASP 338 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n8y h ASP 338 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1n8y h ASP 338 CO 0.04 0.11 -0.04 -0.46 -1.72 0.00 0.00 179.24 177.17 1n8y n ASN 339 N -3.16 0.17 -0.24 6.45 0.23 -0.84 -4.80 115.26 113.06 1n8y n ASN 339 Ca 0.02 -0.58 0.04 0.00 -0.53 0.00 0.00 54.58 53.52 1n8y n ASN 339 Cb 0.49 0.89 0.16 0.00 -2.08 0.00 0.00 39.78 39.24 1n8y n ASN 339 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1n8y h VAL 340 N 0.03 0.69 0.00 3.53 2.07 -0.80 -2.15 116.25 119.61 1n8y h VAL 340 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1n8y h VAL 340 Cb 0.03 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1n8y h VAL 340 CO 0.00 0.08 0.00 1.56 0.02 0.00 0.00 177.57 179.23 1n8y h GLN 341 N 0.44 0.00 0.00 1.57 1.08 -1.85 -1.03 115.11 115.31 1n8y h GLN 341 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1n8y h GLN 341 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1n8y h GLN 341 CO -0.38 0.00 0.00 0.93 -0.95 0.00 0.00 178.83 178.43 1n8y h GLU 342 N 0.00 0.00 -0.13 1.46 5.08 -1.74 -2.62 114.58 116.64 1n8y h GLU 342 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n8y h GLU 342 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n8y h GLU 342 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 1n8y n PHE 343 N -2.75 0.16 -1.68 4.33 3.72 -0.39 -4.92 117.46 115.92 1n8y n PHE 343 Ca -0.01 -0.08 -0.45 0.00 -0.05 0.00 0.00 57.45 56.86 1n8y n PHE 343 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1n8y n PHE 343 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8y n ASP 344 N 0.54 3.48 0.00 4.37 2.03 -0.99 -1.99 116.55 124.00 1n8y n ASP 344 Ca 0.17 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1n8y n ASP 344 Cb 0.40 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1n8y n ASP 344 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n8y n GLY 345 N 3.82 0.61 3.64 0.27 0.00 -1.26 -4.98 105.19 107.29 1n8y n GLY 345 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1n8y n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y h LYS 347 N 8.54 0.24 -4.22 0.00 1.57 -1.91 -3.05 116.57 117.73 1n8y h LYS 347 Ca -0.23 -0.40 -0.46 0.00 -1.87 0.00 0.00 60.65 57.69 1n8y h LYS 347 Cb 1.07 0.15 -0.34 0.00 0.08 0.00 0.00 32.23 33.19 1n8y h LYS 347 CO 1.03 1.15 -0.79 0.21 -0.57 0.00 0.00 179.45 180.48 1n8y s LYS 348 N -2.65 1.22 -0.26 3.15 2.20 -1.26 -0.92 119.74 121.22 1n8y s LYS 348 Ca -0.05 -0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1n8y s LYS 348 Cb 0.07 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1n8y s LYS 348 CO 0.87 -0.08 -0.00 0.42 -0.36 0.00 0.00 175.35 176.20 1n8y s ILE 349 N 0.98 3.38 -0.58 5.43 1.01 -0.65 -4.19 121.20 126.56 1n8y s ILE 349 Ca -0.10 -0.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 1n8y s ILE 349 Cb -0.15 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.67 1n8y s ILE 349 CO 0.00 0.20 1.11 -0.36 0.00 0.00 0.00 174.94 175.89 1n8y s PHE 350 N 1.42 2.65 -1.36 3.97 0.40 -0.29 -1.92 117.98 122.85 1n8y s PHE 350 Ca 0.02 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1n8y s PHE 350 Cb -0.16 -4.37 0.00 0.00 0.51 0.00 0.00 43.02 38.99 1n8y s PHE 350 CO -0.02 -1.55 0.00 0.41 0.70 0.00 0.00 175.22 174.77 1n8y n GLY 351 N 5.11 0.63 3.43 4.36 0.00 -1.26 -1.05 105.19 116.41 1n8y n GLY 351 Ca 0.06 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 1n8y n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8y s SER 352 N -4.00 3.06 -0.09 1.61 0.01 -0.20 -1.76 113.70 112.33 1n8y s SER 352 Ca 0.00 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.21 1n8y s SER 352 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1n8y s SER 352 CO 0.00 -0.16 -0.21 -0.76 0.41 0.00 0.00 173.24 172.51 1n8y s LEU 353 N -3.44 2.26 -0.02 2.44 1.43 -0.57 -0.52 118.68 120.26 1n8y s LEU 353 Ca 0.28 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1n8y s LEU 353 Cb -0.00 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1n8y s LEU 353 CO 0.12 0.21 0.01 0.00 0.23 0.00 0.00 176.35 176.91 1n8y s ALA 354 N 0.06 0.21 -0.19 4.21 0.00 -1.25 -0.52 121.76 124.28 1n8y s ALA 354 Ca -0.09 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1n8y s ALA 354 Cb -0.15 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1n8y s ALA 354 CO 0.06 -0.06 -0.12 -0.06 0.00 0.00 0.00 175.76 175.58 1n8y s PHE 355 N 0.82 2.43 0.40 0.00 0.40 0.11 -1.18 117.98 120.96 1n8y s PHE 355 Ca -0.08 -1.56 0.07 0.00 -0.60 0.00 0.00 56.93 54.76 1n8y s PHE 355 Cb -0.11 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.70 1n8y s PHE 355 CO -0.02 -0.74 0.10 -0.51 0.70 0.00 0.00 175.22 174.75 1n8y s LEU 356 N 1.39 3.01 0.37 -0.37 1.43 -1.26 -0.07 118.68 123.18 1n8y s LEU 356 Ca -0.00 -1.18 0.15 0.00 -1.03 0.00 0.00 54.13 52.07 1n8y s LEU 356 Cb -0.16 -1.22 1.03 0.00 0.03 0.00 0.00 46.19 45.88 1n8y s LEU 356 CO -0.09 -0.48 1.75 -0.65 0.23 0.00 0.00 176.35 177.12 1n8y h PRO 357 N 1.60 0.44 -0.16 1.29 0.11 -1.90 -0.49 132.00 132.89 1n8y h PRO 357 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1n8y h PRO 357 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1n8y h PRO 357 CO 0.74 0.29 -0.14 1.05 -0.21 0.00 0.00 178.00 179.73 1n8y h GLU 358 N 0.46 0.26 -0.86 1.05 4.11 -1.95 -1.01 114.58 116.64 1n8y h GLU 358 Ca 0.61 -0.06 0.15 0.00 0.07 0.00 0.00 59.36 60.13 1n8y h GLU 358 Cb 1.42 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.54 1n8y h GLU 358 CO -0.36 0.41 0.45 0.77 0.07 0.00 0.00 179.01 180.36 1n8y h SER 359 N 0.25 0.56 0.00 3.06 0.02 -1.30 -1.80 113.55 114.34 1n8y h SER 359 Ca 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1n8y h SER 359 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1n8y h SER 359 CO 0.02 0.23 -0.81 0.49 -1.14 0.00 0.00 176.83 175.63 1n8y n PHE 360 N -4.86 0.00 -0.01 3.45 3.01 -0.86 -1.52 117.46 116.68 1n8y n PHE 360 Ca 0.18 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.50 1n8y n PHE 360 Cb 0.44 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.77 1n8y n PHE 360 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1n8y n ASP 361 N -1.41 1.33 -0.20 4.37 8.00 -0.44 -4.54 116.55 123.65 1n8y n ASP 361 Ca 0.03 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1n8y n ASP 361 Cb 0.26 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1n8y n ASP 361 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8y n GLY 362 N 1.73 -1.30 3.05 0.44 0.00 -0.68 -4.42 105.19 104.01 1n8y n GLY 362 Ca -0.23 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 1n8y n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n8y s ASP 363 N -4.00 -0.73 0.00 1.61 3.68 -1.01 -4.92 116.67 111.30 1n8y s ASP 363 Ca 0.00 0.29 0.22 0.00 2.13 0.00 0.00 52.55 55.19 1n8y s ASP 363 Cb 0.00 1.69 1.33 0.00 -1.45 0.00 0.00 42.92 44.48 1n8y s ASP 363 CO 0.00 -0.30 1.71 -2.65 0.13 0.00 0.00 175.17 174.06 1n8y n PRO 364 N 5.40 0.70 -0.02 4.34 -0.02 -1.26 -1.78 135.00 142.35 1n8y n PRO 364 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 1n8y n PRO 364 Cb 0.51 -1.49 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 1n8y n PRO 364 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1n8y n SER 365 N -0.99 2.10 0.20 2.55 7.64 -1.26 -3.80 113.62 120.05 1n8y n SER 365 Ca 0.17 0.14 0.09 0.00 1.01 0.00 0.00 58.87 60.28 1n8y n SER 365 Cb 0.08 -0.77 0.21 0.00 -1.01 0.00 0.00 64.21 62.71 1n8y n SER 365 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1n8y h SER 366 N 0.06 0.00 0.00 6.43 0.02 -2.00 -3.48 113.55 114.58 1n8y h SER 366 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1n8y h SER 366 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1n8y h SER 366 CO 0.05 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1n8y n GLY 367 N 0.92 0.70 3.60 -3.77 0.00 -0.87 -5.03 105.19 100.75 1n8y n GLY 367 Ca 0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1n8y n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8y s ILE 368 N -2.00 3.48 0.29 -0.61 1.01 -0.74 -4.95 121.20 117.68 1n8y s ILE 368 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1n8y s ILE 368 Cb 0.00 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 1n8y s ILE 368 CO 0.00 -0.42 1.44 0.00 0.00 0.00 0.00 174.94 175.96 1n8y n ALA 369 N 10.25 1.63 -1.64 9.38 0.00 -1.26 -2.41 120.51 136.45 1n8y n ALA 369 Ca 0.23 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.62 1n8y n ALA 369 Cb 0.47 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 1n8y n ALA 369 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n8y n PRO 370 N 1.63 1.71 -1.86 0.00 -0.04 -1.26 -4.29 135.00 130.89 1n8y n PRO 370 Ca 0.09 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 1n8y n PRO 370 Cb 0.34 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1n8y n PRO 370 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1n8y s LEU 371 N -0.43 4.07 0.20 1.53 2.96 -0.57 -4.86 118.68 121.57 1n8y s LEU 371 Ca 0.58 2.13 -0.28 0.00 -0.22 0.00 0.00 54.13 56.33 1n8y s LEU 371 Cb -0.61 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.47 1n8y s LEU 371 CO 0.60 -1.26 0.88 -0.13 -1.32 0.00 0.00 176.35 175.13 1n8y s ARG 372 N 4.80 4.74 0.45 1.98 0.52 -1.26 -4.77 118.95 125.40 1n8y s ARG 372 Ca 0.83 1.37 0.26 0.00 -0.52 0.00 0.00 55.73 57.67 1n8y s ARG 372 Cb -0.34 -3.29 1.30 0.00 0.52 0.00 0.00 34.95 33.15 1n8y s ARG 372 CO 0.34 0.50 1.75 -1.35 0.02 0.00 0.00 175.30 176.56 1n8y h PRO 373 N 4.38 0.21 -0.84 3.54 0.11 -2.01 0.25 132.00 137.64 1n8y h PRO 373 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n8y h PRO 373 Cb 1.20 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1n8y h PRO 373 CO 0.68 0.14 0.52 0.93 -0.21 0.00 0.00 178.00 180.06 1n8y h GLU 374 N 0.22 1.13 0.00 1.05 3.07 -2.03 -2.60 114.58 115.42 1n8y h GLU 374 Ca 0.64 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.38 1n8y h GLU 374 Cb 1.97 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 29.64 1n8y h GLU 374 CO -0.23 0.78 -0.11 1.96 -1.40 0.00 0.00 179.01 180.00 1n8y h GLN 375 N 1.15 0.00 0.00 2.33 4.20 -1.33 -2.70 115.11 118.76 1n8y h GLN 375 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1n8y h GLN 375 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1n8y h GLN 375 CO -0.06 0.11 0.07 -0.07 -0.67 0.00 0.00 178.83 178.21 1n8y h LEU 376 N 0.00 0.00 -0.33 1.46 3.38 -1.49 -2.31 115.31 116.02 1n8y h LEU 376 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n8y h LEU 376 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1n8y h LEU 376 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1n8y n GLN 377 N -2.79 0.15 0.24 1.13 6.02 -1.02 -1.65 117.38 119.46 1n8y n GLN 377 Ca -0.02 0.30 0.13 0.00 -0.01 0.00 0.00 57.00 57.40 1n8y n GLN 377 Cb 0.12 -1.74 0.71 0.00 1.02 0.00 0.00 30.24 30.35 1n8y n GLN 377 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1n8y h VAL 378 N 0.00 0.00 -0.01 5.09 3.04 -1.64 -0.60 116.25 122.13 1n8y h VAL 378 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1n8y h VAL 378 Cb 0.43 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1n8y h VAL 378 CO 0.00 0.00 -0.16 0.49 -1.01 0.00 0.00 177.57 176.89 1n8y n PHE 379 N -2.52 0.00 0.33 3.17 3.01 -0.66 -4.26 117.46 116.54 1n8y n PHE 379 Ca -0.02 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.65 1n8y n PHE 379 Cb 0.21 -0.08 1.13 0.00 -0.01 0.00 0.00 39.48 40.73 1n8y n PHE 379 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1n8y h GLU 380 N 1.58 0.00 0.00 -1.08 4.11 -1.19 -0.55 114.58 117.45 1n8y h GLU 380 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1n8y h GLU 380 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1n8y h GLU 380 CO 0.00 0.00 -0.54 1.15 0.07 0.00 0.00 179.01 179.69 1n8y h THR 381 N 0.00 0.97 -2.66 -1.06 2.02 -1.80 -3.42 112.91 106.96 1n8y h THR 381 Ca 0.00 -2.23 -0.53 0.00 0.77 0.00 0.00 66.41 64.42 1n8y h THR 381 Cb 0.14 2.38 0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1n8y h THR 381 CO -0.00 0.53 1.02 -0.22 0.37 0.00 0.00 175.52 177.22 1n8y s LEU 382 N -6.61 4.37 -0.04 2.58 0.20 -0.22 -4.37 118.68 114.60 1n8y s LEU 382 Ca 0.03 2.55 0.05 0.00 0.69 0.00 0.00 54.13 57.45 1n8y s LEU 382 Cb 0.09 -3.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.21 1n8y s LEU 382 CO 0.74 -0.91 0.06 -0.62 -0.29 0.00 0.00 176.35 175.33 1n8y n GLU 383 N 5.54 2.04 -3.77 1.98 1.02 -0.10 -2.23 120.64 125.12 1n8y n GLU 383 Ca 0.16 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 1n8y n GLU 383 Cb 0.40 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.56 1n8y n GLU 383 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n8y s GLU 384 N -2.23 0.21 -0.14 3.49 2.12 -0.76 0.51 118.70 121.90 1n8y s GLU 384 Ca -0.02 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1n8y s GLU 384 Cb 0.02 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1n8y s GLU 384 CO 0.23 -0.08 -0.21 0.42 -0.54 0.00 0.00 175.26 175.07 1n8y s ILE 385 N 0.57 1.98 -0.18 -3.70 1.01 -0.77 -1.64 121.20 118.47 1n8y s ILE 385 Ca -0.04 -0.93 0.16 0.00 0.00 0.00 0.00 60.65 59.84 1n8y s ILE 385 Cb -0.05 -1.76 0.10 0.00 0.01 0.00 0.00 42.46 40.76 1n8y s ILE 385 CO -0.03 0.53 1.47 0.71 0.00 0.00 0.00 174.94 177.63 1n8y h THR 386 N 5.85 0.76 0.00 2.92 1.35 -1.48 0.39 112.91 122.70 1n8y h THR 386 Ca -0.33 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1n8y h THR 386 Cb 1.19 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1n8y h THR 386 CO 0.55 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1n8y n GLY 387 N 1.18 0.55 3.47 5.82 0.00 -0.72 -0.58 105.19 114.91 1n8y n GLY 387 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1n8y n GLY 387 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n8y s TYR 388 N 3.02 2.21 -0.20 1.61 -0.85 -1.17 -0.74 117.35 121.22 1n8y s TYR 388 Ca 0.00 -0.45 -0.07 0.00 -0.52 0.00 0.00 57.07 56.03 1n8y s TYR 388 Cb 0.00 -1.09 -0.03 0.00 0.38 0.00 0.00 41.96 41.21 1n8y s TYR 388 CO 0.00 0.58 0.05 -1.17 -1.52 0.00 0.00 175.55 173.49 1n8y s LEU 389 N -3.51 3.57 -0.13 -3.49 2.96 -0.65 -1.52 118.68 115.92 1n8y s LEU 389 Ca 0.30 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1n8y s LEU 389 Cb -0.01 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1n8y s LEU 389 CO 0.14 0.09 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.76 1n8y s TYR 390 N 0.84 1.27 -0.18 5.38 5.04 0.32 -1.31 117.35 128.70 1n8y s TYR 390 Ca 0.03 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1n8y s TYR 390 Cb -0.14 -1.11 0.04 0.00 0.35 0.00 0.00 41.96 41.10 1n8y s TYR 390 CO 0.02 -0.51 -0.07 0.42 -1.34 0.00 0.00 175.55 174.07 1n8y s ILE 391 N 1.78 1.34 0.00 3.14 1.01 0.42 0.06 121.20 128.95 1n8y s ILE 391 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1n8y s ILE 391 Cb -0.14 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1n8y s ILE 391 CO -0.07 0.14 0.02 -0.24 0.00 0.00 0.00 174.94 174.79 1n8y n SER 392 N 4.79 0.05 -3.72 3.58 2.88 0.90 -1.63 113.62 120.46 1n8y n SER 392 Ca -0.13 -0.48 -0.12 0.00 -1.33 0.00 0.00 58.87 56.81 1n8y n SER 392 Cb 0.47 0.86 -0.07 0.00 -0.75 0.00 0.00 64.21 64.71 1n8y n SER 392 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n8y s ALA 393 N -0.86 -0.83 -0.13 -1.46 0.00 -1.02 -4.53 121.76 112.95 1n8y s ALA 393 Ca 0.00 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 1n8y s ALA 393 Cb 0.00 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1n8y s ALA 393 CO 0.00 -0.40 0.63 -0.46 0.00 0.00 0.00 175.76 175.53 1n8y s TRP 394 N -2.28 -0.63 0.33 0.00 -0.11 -1.26 -4.63 118.94 110.36 1n8y s TRP 394 Ca -0.07 1.30 -0.29 0.00 1.22 0.00 0.00 56.10 58.26 1n8y s TRP 394 Cb -0.02 0.31 -0.12 0.00 -1.50 0.00 0.00 33.47 32.14 1n8y s TRP 394 CO -0.01 -0.48 1.43 -2.30 -4.62 0.00 0.00 176.95 170.97 1n8y n PRO 395 N 1.70 2.38 0.28 5.86 -0.02 -1.26 -4.79 135.00 139.15 1n8y n PRO 395 Ca -0.17 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1n8y n PRO 395 Cb 0.56 -2.52 0.81 0.00 -0.02 0.00 0.00 33.50 32.33 1n8y n PRO 395 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1n8y h ASP 396 N 3.39 0.00 1.37 2.55 2.03 -2.01 -2.44 116.42 121.32 1n8y h ASP 396 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1n8y h ASP 396 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1n8y h ASP 396 CO 0.68 0.07 0.00 0.77 -1.03 0.00 0.00 179.24 179.73 1n8y h SER 397 N 0.00 0.00 -3.47 4.15 4.64 -1.99 -3.40 113.55 113.48 1n8y h SER 397 Ca -0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1n8y h SER 397 Cb 0.34 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.25 1n8y h SER 397 CO 0.01 0.00 -0.11 -0.76 -0.87 0.00 0.00 176.83 175.10 1n8y s LEU 398 N -5.13 4.89 0.16 5.97 1.43 -0.92 -4.93 118.68 120.16 1n8y s LEU 398 Ca 0.07 -0.72 0.26 0.00 -1.03 0.00 0.00 54.13 52.71 1n8y s LEU 398 Cb 0.10 -2.44 0.92 0.00 0.03 0.00 0.00 46.19 44.79 1n8y s LEU 398 CO 0.56 -0.68 1.78 0.54 0.23 0.00 0.00 176.35 178.78 1n8y n ARG 399 N 5.79 0.18 -4.12 1.70 1.74 -1.26 -4.67 116.66 116.03 1n8y n ARG 399 Ca -0.07 0.21 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 1n8y n ARG 399 Cb 0.47 -1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 1n8y n ARG 399 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1n8y s ASP 400 N -4.09 0.98 -0.18 0.55 -4.77 -1.26 -0.71 116.67 107.19 1n8y s ASP 400 Ca 0.10 -1.51 0.06 0.00 -3.30 0.00 0.00 52.55 47.91 1n8y s ASP 400 Cb 0.13 0.64 0.46 0.00 -1.09 0.00 0.00 42.92 43.06 1n8y s ASP 400 CO 0.53 -1.25 1.33 0.18 0.70 0.00 0.00 175.17 176.66 1n8y n LEU 401 N -0.56 4.21 -0.34 2.11 4.77 0.85 -4.62 117.00 123.41 1n8y n LEU 401 Ca 0.02 -2.17 0.36 0.00 -0.03 0.00 0.00 56.01 54.19 1n8y n LEU 401 Cb 0.62 -0.64 0.75 0.00 -2.33 0.00 0.00 43.42 41.82 1n8y n LEU 401 CO 0.30 0.58 1.33 0.28 -1.33 0.00 0.00 177.39 178.55 1n8y h SER 402 N 1.81 0.02 0.00 -1.43 0.02 -1.80 0.29 113.55 112.45 1n8y h SER 402 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1n8y h SER 402 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1n8y h SER 402 CO 0.40 0.00 0.08 -0.37 -1.14 0.00 0.00 176.83 175.80 1n8y h VAL 403 N 0.01 0.00 -0.71 2.27 -1.51 -1.92 -0.36 116.25 114.03 1n8y h VAL 403 Ca 0.59 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.75 1n8y h VAL 403 Cb 2.33 0.88 -0.18 0.00 -2.13 0.00 0.00 31.29 32.19 1n8y h VAL 403 CO -0.02 0.00 0.32 0.49 -1.23 0.00 0.00 177.57 177.13 1n8y n PHE 404 N -2.96 2.27 -0.33 5.19 3.01 0.10 -3.76 117.46 120.98 1n8y n PHE 404 Ca -0.03 -1.51 0.30 0.00 1.01 0.00 0.00 57.45 57.23 1n8y n PHE 404 Cb 0.14 -0.71 0.65 0.00 -0.01 0.00 0.00 39.48 39.54 1n8y n PHE 404 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1n8y h GLN 405 N 1.61 0.16 -0.13 -1.08 4.15 -1.18 -2.02 115.11 116.62 1n8y h GLN 405 Ca 0.37 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1n8y h GLN 405 Cb 2.32 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.97 1n8y h GLN 405 CO 0.76 0.11 0.00 0.09 -1.93 0.00 0.00 178.83 177.86 1n8y n ASN 406 N -4.40 2.94 -4.65 -0.69 5.03 -1.26 -2.78 115.26 109.45 1n8y n ASN 406 Ca 0.26 -1.91 -0.42 0.00 0.87 0.00 0.00 54.58 53.38 1n8y n ASN 406 Cb 1.11 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 39.77 1n8y n ASN 406 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1n8y s LEU 407 N -1.65 4.22 -0.21 3.41 2.96 -0.76 -4.29 118.68 122.37 1n8y s LEU 407 Ca 0.28 2.25 0.12 0.00 -0.22 0.00 0.00 54.13 56.56 1n8y s LEU 407 Cb 0.19 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 43.12 1n8y s LEU 407 CO 0.27 -1.09 0.01 0.54 -1.32 0.00 0.00 176.35 174.76 1n8y n ARG 408 N 7.46 0.68 -3.78 1.98 1.74 0.18 -1.86 116.66 123.06 1n8y n ARG 408 Ca 0.19 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1n8y n ARG 408 Cb 0.43 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 1n8y n ARG 408 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1n8y s ILE 409 N -2.51 -0.03 -0.32 0.55 1.01 -1.15 -0.45 121.20 118.30 1n8y s ILE 409 Ca -0.18 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 1n8y s ILE 409 Cb 0.07 -0.24 0.04 0.00 0.01 0.00 0.00 42.46 42.34 1n8y s ILE 409 CO 0.76 0.04 0.06 -0.63 0.00 0.00 0.00 174.94 175.17 1n8y s ILE 410 N 0.72 3.45 0.21 2.92 1.01 -0.34 -1.84 121.20 127.34 1n8y s ILE 410 Ca -0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 1n8y s ILE 410 Cb -0.07 -2.97 0.17 0.00 0.01 0.00 0.00 42.46 39.60 1n8y s ILE 410 CO -0.04 -0.15 1.83 0.03 0.00 0.00 0.00 174.94 176.61 1n8y h ARG 411 N 8.13 1.12 -1.07 2.79 3.08 -0.37 0.30 114.38 128.36 1n8y h ARG 411 Ca -0.22 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.53 1n8y h ARG 411 Cb 1.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1n8y h ARG 411 CO 0.57 0.83 -0.20 0.41 -1.07 0.00 0.00 179.97 180.52 1n8y n GLY 412 N -1.09 0.14 0.23 0.04 0.00 0.08 -1.71 105.19 102.89 1n8y n GLY 412 Ca 0.08 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.69 1n8y n GLY 412 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n8y h ARG 413 N 0.00 0.00 -5.67 1.61 3.08 -0.99 -3.40 114.38 109.01 1n8y h ARG 413 Ca -0.19 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.31 1n8y h ARG 413 Cb 1.07 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.83 1n8y h ARG 413 CO 0.23 0.00 -0.84 0.42 -1.07 0.00 0.00 179.97 178.71 1n8y s ILE 414 N -3.56 1.40 -0.01 2.04 1.09 -1.26 -4.98 121.20 115.92 1n8y s ILE 414 Ca 0.02 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1n8y s ILE 414 Cb 0.09 -1.17 -0.01 0.00 -1.06 0.00 0.00 42.46 40.31 1n8y s ILE 414 CO 0.50 0.40 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.85 1n8y s LEU 415 N -0.39 2.02 0.27 2.97 1.43 -1.26 -3.07 118.68 120.65 1n8y s LEU 415 Ca 0.06 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1n8y s LEU 415 Cb -0.07 -0.62 -0.11 0.00 0.03 0.00 0.00 46.19 45.41 1n8y s LEU 415 CO -0.01 0.15 1.62 -2.28 0.23 0.00 0.00 176.35 176.06 1n8y s HIS 416 N -0.27 2.80 -0.83 0.29 5.65 -0.64 0.63 115.29 122.93 1n8y s HIS 416 Ca 0.04 0.69 0.00 0.00 0.25 0.00 0.00 55.06 56.04 1n8y s HIS 416 Cb -0.05 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.28 1n8y s HIS 416 CO -0.00 -3.72 0.00 -0.25 -0.65 0.00 0.00 174.74 170.11 1n8y n ASP 417 N 2.62 -2.67 0.00 9.88 8.00 -1.26 -0.44 116.55 132.67 1n8y n ASP 417 Ca 0.10 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1n8y n ASP 417 Cb 0.37 -2.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1n8y n ASP 417 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8y n GLY 418 N -0.45 0.13 0.00 0.44 0.00 0.21 -1.58 105.19 103.93 1n8y n GLY 418 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1n8y n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8y n ALA 419 N 1.00 1.93 -3.53 4.61 0.00 0.42 -4.32 120.51 120.62 1n8y n ALA 419 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1n8y n ALA 419 Cb 0.36 0.33 -0.14 0.00 0.00 0.00 0.00 19.45 19.99 1n8y n ALA 419 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1n8y s TYR 420 N -1.86 2.91 -0.89 0.00 1.51 -0.68 -1.52 117.35 116.82 1n8y s TYR 420 Ca 0.00 -1.00 0.24 0.00 -1.01 0.00 0.00 57.07 55.31 1n8y s TYR 420 Cb 0.00 -2.04 0.33 0.00 -0.11 0.00 0.00 41.96 40.15 1n8y s TYR 420 CO 0.00 -0.53 1.29 -1.13 -1.11 0.00 0.00 175.55 174.06 1n8y n SER 421 N 4.56 0.60 -3.53 2.29 3.41 0.58 -1.61 113.62 119.92 1n8y n SER 421 Ca -0.19 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.03 1n8y n SER 421 Cb 0.51 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.76 1n8y n SER 421 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1n8y s LEU 422 N -3.31 -0.42 -0.08 1.04 2.96 -1.16 -1.64 118.68 116.07 1n8y s LEU 422 Ca 0.09 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 1n8y s LEU 422 Cb 0.16 0.87 -0.00 0.00 0.50 0.00 0.00 46.19 47.72 1n8y s LEU 422 CO 0.74 -0.28 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.39 1n8y s THR 423 N 2.47 1.83 -0.13 3.68 2.01 -0.43 -0.39 115.64 124.68 1n8y s THR 423 Ca 0.05 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1n8y s THR 423 Cb -0.14 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.83 1n8y s THR 423 CO -0.12 0.51 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.55 1n8y s LEU 424 N 0.23 1.04 -0.02 4.42 1.43 -0.34 -0.44 118.68 125.02 1n8y s LEU 424 Ca -0.13 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1n8y s LEU 424 Cb -0.16 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1n8y s LEU 424 CO 0.06 -0.21 0.00 -1.58 0.23 0.00 0.00 176.35 174.85 1n8y s GLN 425 N 1.83 0.14 -1.42 1.70 0.74 -0.65 -1.55 119.66 120.46 1n8y s GLN 425 Ca 0.03 0.06 -0.06 0.00 0.05 0.00 0.00 55.36 55.44 1n8y s GLN 425 Cb -0.14 -0.29 0.03 0.00 1.10 0.00 0.00 33.01 33.71 1n8y s GLN 425 CO -0.07 -0.09 0.52 0.41 -0.55 0.00 0.00 175.29 175.52 1n8y n GLY 426 N 3.78 -0.51 3.96 2.59 0.00 -0.90 -4.42 105.19 109.69 1n8y n GLY 426 Ca -0.22 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1n8y n GLY 426 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8y s LEU 427 N -6.55 3.79 -0.05 0.99 1.43 -1.24 -4.88 118.68 112.17 1n8y s LEU 427 Ca 0.33 0.16 0.20 0.00 -1.03 0.00 0.00 54.13 53.79 1n8y s LEU 427 Cb -0.16 -3.05 0.67 0.00 0.03 0.00 0.00 46.19 43.69 1n8y s LEU 427 CO 0.40 -0.57 1.57 0.61 0.23 0.00 0.00 176.35 178.60 1n8y n GLY 428 N -1.91 2.50 3.77 -3.19 0.00 -1.26 -3.95 105.19 101.16 1n8y n GLY 428 Ca -0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1n8y n GLY 428 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n8y s ILE 429 N -1.43 2.94 -0.13 -0.61 -4.36 -1.26 -4.81 121.20 111.54 1n8y s ILE 429 Ca 0.49 0.73 0.13 0.00 -0.26 0.00 0.00 60.65 61.74 1n8y s ILE 429 Cb 0.29 -3.38 -0.24 0.00 1.25 0.00 0.00 42.46 40.38 1n8y s ILE 429 CO 0.29 0.01 0.34 1.41 0.24 0.00 0.00 174.94 177.23 1n8y n HIS 430 N -0.41 0.53 -4.30 1.37 8.25 0.11 -2.53 115.22 118.23 1n8y n HIS 430 Ca 0.07 0.18 -0.18 0.00 -0.26 0.00 0.00 57.72 57.52 1n8y n HIS 430 Cb 0.47 -1.09 -0.09 0.00 1.12 0.00 0.00 29.99 30.40 1n8y n HIS 430 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n8y s SER 431 N -5.91 1.46 -0.22 0.41 1.04 -1.17 -0.53 113.70 108.78 1n8y s SER 431 Ca -0.10 -1.63 -0.18 0.00 0.48 0.00 0.00 55.95 54.52 1n8y s SER 431 Cb 0.07 0.48 -0.15 0.00 0.10 0.00 0.00 66.02 66.52 1n8y s SER 431 CO 0.81 -0.96 -0.01 0.18 0.98 0.00 0.00 173.24 174.23 1n8y n LEU 432 N -0.57 1.89 0.00 2.42 4.77 -0.82 -4.23 117.00 120.45 1n8y n LEU 432 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1n8y n LEU 432 Cb 0.64 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1n8y n LEU 432 CO 0.33 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1n8y n GLY 433 N 1.40 1.63 2.87 -0.72 0.00 0.21 -0.11 105.19 110.47 1n8y n GLY 433 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 1n8y n GLY 433 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8y n LEU 434 N 0.00 0.81 0.15 0.99 4.77 -1.26 -4.52 117.00 117.93 1n8y n LEU 434 Ca 0.00 -1.25 0.12 0.00 -0.03 0.00 0.00 56.01 54.84 1n8y n LEU 434 Cb 0.00 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.08 1n8y n LEU 434 CO 0.00 -0.84 0.85 -1.14 -1.33 0.00 0.00 177.39 174.92 1n8y n ARG 435 N 4.62 0.18 0.00 3.23 0.00 -1.26 -1.82 116.66 121.60 1n8y n ARG 435 Ca 0.07 0.51 0.07 0.00 -0.00 0.00 0.00 57.85 58.51 1n8y n ARG 435 Cb 0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 32.46 30.54 1n8y n ARG 435 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1n8y n SER 436 N -2.26 1.23 -4.61 6.15 7.64 -1.12 -4.84 113.62 115.82 1n8y n SER 436 Ca 0.01 -1.12 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 1n8y n SER 436 Cb 0.15 0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 1n8y n SER 436 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n8y s LEU 437 N -2.28 3.59 -0.00 -3.43 2.96 -0.76 -4.19 118.68 114.57 1n8y s LEU 437 Ca 0.10 1.97 0.04 0.00 -0.22 0.00 0.00 54.13 56.02 1n8y s LEU 437 Cb 0.12 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1n8y s LEU 437 CO 0.48 -1.82 0.14 -1.14 -1.32 0.00 0.00 176.35 172.68 1n8y n ARG 438 N 8.57 4.01 -3.69 1.98 0.63 0.40 -4.96 116.66 123.60 1n8y n ARG 438 Ca 0.28 -0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 57.08 1n8y n ARG 438 Cb 0.45 -0.81 -0.12 0.00 0.45 0.00 0.00 32.46 32.43 1n8y n ARG 438 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1n8y s GLU 439 N -1.64 0.25 -0.38 -0.14 2.12 -1.02 -4.06 118.70 113.84 1n8y s GLU 439 Ca 0.01 0.74 -0.08 0.00 0.36 0.00 0.00 54.97 55.99 1n8y s GLU 439 Cb 0.03 -0.00 0.05 0.00 0.26 0.00 0.00 34.13 34.47 1n8y s GLU 439 CO 0.16 -0.21 0.18 -0.51 -0.54 0.00 0.00 175.26 174.34 1n8y s LEU 440 N 1.85 4.72 0.33 2.70 1.43 0.25 -1.20 118.68 128.75 1n8y s LEU 440 Ca -0.05 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1n8y s LEU 440 Cb -0.11 -1.95 0.57 0.00 0.03 0.00 0.00 46.19 44.73 1n8y s LEU 440 CO -0.10 -0.42 1.85 1.23 0.23 0.00 0.00 176.35 179.15 1n8y h GLY 441 N 8.33 0.58 -1.61 -3.19 0.00 -0.37 -3.35 103.07 103.47 1n8y h GLY 441 Ca -0.23 -0.35 0.17 0.00 0.00 0.00 0.00 47.33 46.91 1n8y h GLY 441 CO 0.67 0.33 0.60 -1.35 0.00 0.00 0.00 176.54 176.79 1n8y s SER 442 N -6.74 -0.01 0.01 0.19 1.04 -0.69 -4.65 113.70 102.85 1n8y s SER 442 Ca -0.08 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1n8y s SER 442 Cb 0.15 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1n8y s SER 442 CO 0.77 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1n8y n GLY 443 N -0.69 -1.70 3.96 7.32 0.00 -1.26 -4.42 105.19 108.40 1n8y n GLY 443 Ca -0.03 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 1n8y n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8y s LEU 444 N -3.95 4.18 -0.08 0.99 1.43 -0.58 -4.59 118.68 116.09 1n8y s LEU 444 Ca 0.00 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1n8y s LEU 444 Cb 0.00 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1n8y s LEU 444 CO 0.00 -0.19 -0.03 0.00 0.23 0.00 0.00 176.35 176.35 1n8y s ALA 445 N -2.11 3.13 -0.08 4.21 0.00 -0.77 -0.31 121.76 125.84 1n8y s ALA 445 Ca 0.37 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1n8y s ALA 445 Cb -0.09 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1n8y s ALA 445 CO 0.31 0.58 -0.04 -1.17 0.00 0.00 0.00 175.76 175.44 1n8y s LEU 446 N -0.84 0.96 -0.20 0.00 2.96 0.47 -1.00 118.68 121.03 1n8y s LEU 446 Ca 0.13 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1n8y s LEU 446 Cb -0.11 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.05 1n8y s LEU 446 CO 0.02 -0.13 0.05 -0.63 -1.32 0.00 0.00 176.35 174.34 1n8y s ILE 447 N 1.64 0.42 0.08 6.68 1.01 -0.27 -1.20 121.20 129.57 1n8y s ILE 447 Ca 0.01 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1n8y s ILE 447 Cb -0.13 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.37 1n8y s ILE 447 CO -0.05 -0.29 0.40 -1.38 0.00 0.00 0.00 174.94 173.62 1n8y s HIS 448 N 1.90 -0.22 -1.55 3.97 -3.43 -0.59 -2.95 115.29 112.41 1n8y s HIS 448 Ca 0.01 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 1n8y s HIS 448 Cb -0.17 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 1n8y s HIS 448 CO -0.11 -0.63 0.00 0.54 -2.00 0.00 0.00 174.74 172.54 1n8y n ARG 449 N 0.18 -1.84 -3.38 -0.38 1.74 -0.65 -2.12 116.66 110.20 1n8y n ARG 449 Ca -0.17 0.87 -0.46 0.00 -0.77 0.00 0.00 57.85 57.33 1n8y n ARG 449 Cb 0.62 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.54 1n8y n ARG 449 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1n8y s ASN 450 N -2.08 6.54 0.51 0.55 0.01 -1.14 -2.94 114.94 116.40 1n8y s ASN 450 Ca 0.00 -2.66 0.23 0.00 -0.71 0.00 0.00 52.86 49.72 1n8y s ASN 450 Cb 0.00 -2.17 1.38 0.00 0.41 0.00 0.00 41.25 40.87 1n8y s ASN 450 CO 0.00 -0.56 2.09 0.00 -1.51 0.00 0.00 177.10 177.12 1n8y h ALA 451 N 7.76 1.53 -0.40 0.60 0.00 -1.68 -2.36 119.26 124.71 1n8y h ALA 451 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n8y h ALA 451 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n8y h ALA 451 CO 0.76 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.86 1n8y n HIS 452 N -3.98 0.52 -2.77 0.00 8.25 -1.26 -3.99 115.22 111.99 1n8y n HIS 452 Ca -0.02 -0.42 -0.43 0.00 -0.26 0.00 0.00 57.72 56.58 1n8y n HIS 452 Cb 0.19 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1n8y n HIS 452 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1n8y s LEU 453 N -1.04 3.93 0.00 2.41 2.96 -0.89 -4.16 118.68 121.90 1n8y s LEU 453 Ca 0.29 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1n8y s LEU 453 Cb 0.16 -3.30 0.02 0.00 0.50 0.00 0.00 46.19 43.57 1n8y s LEU 453 CO 0.21 -1.00 0.16 0.00 -1.32 0.00 0.00 176.35 174.39 1n8y n PHE 455 N -1.08 -2.07 -0.01 0.00 3.01 -1.26 -4.39 117.46 111.65 1n8y n PHE 455 Ca 0.02 0.82 -0.21 0.00 1.01 0.00 0.00 57.45 59.08 1n8y n PHE 455 Cb 0.16 -3.55 -0.14 0.00 -0.01 0.00 0.00 39.48 35.94 1n8y n PHE 455 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1n8y n VAL 456 N -4.51 1.74 1.42 -4.37 0.31 -1.26 -4.41 118.33 107.26 1n8y n VAL 456 Ca 0.05 -0.60 0.14 0.00 -0.01 0.00 0.00 64.34 63.92 1n8y n VAL 456 Cb 0.52 -1.74 0.50 0.00 -0.91 0.00 0.00 33.84 32.20 1n8y n VAL 456 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1n8y n HIS 457 N -3.55 0.00 0.74 3.52 8.25 -1.26 -3.17 115.22 119.75 1n8y n HIS 457 Ca -0.33 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.26 1n8y n HIS 457 Cb 1.01 -0.06 0.38 0.00 1.12 0.00 0.00 29.99 32.44 1n8y n HIS 457 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1n8y n THR 458 N -0.26 0.33 -2.94 1.59 -2.24 -1.26 -4.79 114.28 104.70 1n8y n THR 458 Ca 0.16 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1n8y n THR 458 Cb 0.34 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 1n8y n THR 458 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1n8y s VAL 459 N -3.08 4.79 -1.12 2.28 1.01 -1.19 -1.79 120.40 121.30 1n8y s VAL 459 Ca 0.10 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 1n8y s VAL 459 Cb 0.15 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.52 1n8y s VAL 459 CO 0.62 0.32 1.38 -2.16 0.00 0.00 0.00 175.10 175.26 1n8y s PRO 460 N 0.23 3.88 0.36 2.72 0.04 -1.26 -4.84 135.00 136.13 1n8y s PRO 460 Ca 0.40 -2.11 0.06 0.00 0.04 0.00 0.00 61.00 59.39 1n8y s PRO 460 Cb -0.20 -5.11 0.70 0.00 0.04 0.00 0.00 34.50 29.93 1n8y s PRO 460 CO 0.23 -1.88 1.94 -1.49 0.04 0.00 0.00 177.00 175.84 1n8y h TRP 461 N 7.98 0.52 -0.47 0.56 4.06 -1.94 -2.08 115.95 124.57 1n8y h TRP 461 Ca 0.27 -0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.33 1n8y h TRP 461 Cb 0.93 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.92 1n8y h TRP 461 CO 1.18 0.45 0.40 0.38 -3.56 0.00 0.00 178.44 177.29 1n8y h ASP 462 N 0.51 0.00 1.24 -3.49 2.03 -1.95 -1.79 116.42 112.96 1n8y h ASP 462 Ca 0.12 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.29 1n8y h ASP 462 Cb 0.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 1n8y h ASP 462 CO -0.00 0.00 -0.79 1.56 -1.03 0.00 0.00 179.24 178.98 1n8y h GLN 463 N 0.00 0.00 0.00 4.15 4.20 -1.76 -3.28 115.11 118.42 1n8y h GLN 463 Ca 0.23 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.73 1n8y h GLN 463 Cb 1.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1n8y h GLN 463 CO -0.00 0.48 -1.15 -0.07 -0.67 0.00 0.00 178.83 177.42 1n8y h LEU 464 N 0.00 0.00-10.29 1.46 3.38 -1.41 -3.45 115.31 105.00 1n8y h LEU 464 Ca -0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 1n8y h LEU 464 Cb 1.47 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.39 1n8y h LEU 464 CO 0.07 0.85 0.26 -0.36 0.09 0.00 0.00 178.44 179.35 1n8y s PHE 465 N -2.76 1.99 0.00 1.13 2.99 -1.03 -0.58 117.98 119.72 1n8y s PHE 465 Ca -0.00 1.70 0.00 0.00 0.00 0.00 0.00 56.93 58.62 1n8y s PHE 465 Cb 0.09 -3.23 0.00 0.00 0.00 0.00 0.00 43.02 39.88 1n8y s PHE 465 CO 0.81 -2.43 0.00 0.54 -0.00 0.00 0.00 175.22 174.14 1n8y n ARG 466 N -3.97 1.16 -4.17 0.44 5.12 -1.25 -4.88 116.66 109.10 1n8y n ARG 466 Ca 0.11 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.92 1n8y n ARG 466 Cb 0.52 -0.09 -0.10 0.00 -1.16 0.00 0.00 32.46 31.63 1n8y n ARG 466 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1n8y s ASN 467 N -0.15 0.93 0.00 0.55 4.22 -1.26 -5.05 114.94 114.18 1n8y s ASN 467 Ca 0.00 -1.07 0.16 0.00 -2.14 0.00 0.00 52.86 49.81 1n8y s ASN 467 Cb 0.00 0.15 0.81 0.00 1.28 0.00 0.00 41.25 43.49 1n8y s ASN 467 CO 0.00 -0.55 1.54 -0.81 -2.04 0.00 0.00 177.10 175.24 1n8y n PRO 468 N -0.07 1.27 0.05 3.55 -0.04 -1.26 -2.61 135.00 135.89 1n8y n PRO 468 Ca -0.10 -0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1n8y n PRO 468 Cb 0.62 -1.28 0.12 0.00 -0.04 0.00 0.00 33.50 32.91 1n8y n PRO 468 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1n8y n HIS 469 N -0.34 0.51 -3.02 0.54 8.25 -1.26 -4.91 115.22 114.98 1n8y n HIS 469 Ca 0.13 0.15 -0.33 0.00 -0.26 0.00 0.00 57.72 57.40 1n8y n HIS 469 Cb 0.15 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.58 1n8y n HIS 469 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1n8y s GLN 470 N -3.19 4.12 0.23 -0.41 -0.21 -1.07 -4.42 119.66 114.71 1n8y s GLN 470 Ca 0.05 0.85 -0.20 0.00 0.02 0.00 0.00 55.36 56.08 1n8y s GLN 470 Cb 0.13 -2.41 0.03 0.00 1.00 0.00 0.00 33.01 31.77 1n8y s GLN 470 CO 0.75 0.12 0.63 0.00 -2.12 0.00 0.00 175.29 174.68 1n8y s ALA 471 N -1.99 -1.18 -0.20 6.09 0.00 -1.26 -5.00 121.76 118.22 1n8y s ALA 471 Ca 0.55 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 1n8y s ALA 471 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1n8y s ALA 471 CO 0.17 -0.91 0.06 -1.17 0.00 0.00 0.00 175.76 173.90 1n8y s LEU 472 N -2.88 3.67 -0.12 0.00 2.96 -1.26 -1.84 118.68 119.21 1n8y s LEU 472 Ca 0.09 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1n8y s LEU 472 Cb -0.03 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1n8y s LEU 472 CO 0.00 0.12 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.39 1n8y s LEU 473 N 0.67 3.49 -0.07 -0.68 1.43 -0.17 -4.98 118.68 118.38 1n8y s LEU 473 Ca 0.03 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 1n8y s LEU 473 Cb -0.13 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1n8y s LEU 473 CO 0.02 0.29 0.41 -1.38 0.23 0.00 0.00 176.35 175.92 1n8y s HIS 474 N -0.35 -0.36 -0.24 0.29 -3.43 -1.26 -1.11 115.29 108.84 1n8y s HIS 474 Ca 0.07 0.69 -0.29 0.00 -0.80 0.00 0.00 55.06 54.73 1n8y s HIS 474 Cb -0.12 0.17 0.16 0.00 -1.43 0.00 0.00 32.58 31.36 1n8y s HIS 474 CO 0.02 -0.38 1.21 0.45 -2.00 0.00 0.00 174.74 174.04 1n8y s SER 475 N -0.83 -0.18 -0.94 7.38 0.15 -1.15 -4.98 113.70 113.14 1n8y s SER 475 Ca -0.09 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1n8y s SER 475 Cb -0.04 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1n8y s SER 475 CO 0.04 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1n8y n GLY 476 N 0.73 1.01 1.72 9.45 0.00 -1.26 -1.64 105.19 115.20 1n8y n GLY 476 Ca -0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1n8y n GLY 476 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n8y n ASN 477 N -0.25 0.56 -4.69 1.61 3.02 -1.26 -2.88 115.26 111.38 1n8y n ASN 477 Ca -0.09 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.55 1n8y n ASN 477 Cb 0.39 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1n8y n ASN 477 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1n8y s ARG 478 N -3.64 4.35 0.22 3.52 0.52 -1.03 -4.89 118.95 118.01 1n8y s ARG 478 Ca 0.30 1.71 -0.31 0.00 -0.52 0.00 0.00 55.73 56.90 1n8y s ARG 478 Cb -0.02 -3.54 -0.14 0.00 0.52 0.00 0.00 34.95 31.77 1n8y s ARG 478 CO 0.20 -0.45 1.25 -2.30 0.02 0.00 0.00 175.30 174.03 1n8y n PRO 479 N 5.13 1.61 0.13 3.54 -0.02 -1.26 -4.80 135.00 139.32 1n8y n PRO 479 Ca 0.11 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.21 1n8y n PRO 479 Cb 0.46 -2.13 0.50 0.00 -0.02 0.00 0.00 33.50 32.32 1n8y n PRO 479 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1n8y h GLU 480 N 3.51 0.26 0.00 -0.52 4.57 -1.95 -0.92 114.58 119.53 1n8y h GLU 480 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1n8y h GLU 480 Cb 1.31 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1n8y h GLU 480 CO 0.71 0.22 0.00 -0.85 -1.18 0.00 0.00 179.01 177.91 1n8y n GLU 481 N -4.46 0.11 -0.02 1.92 0.28 -1.26 -1.38 120.64 115.83 1n8y n GLU 481 Ca -0.00 0.05 -0.04 0.00 -0.16 0.00 0.00 57.16 57.01 1n8y n GLU 481 Cb 0.11 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.36 1n8y n GLU 481 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1n8y n ASP 482 N -1.44 0.60 -0.04 -1.84 9.92 -0.38 -3.46 116.55 119.90 1n8y n ASP 482 Ca 0.08 0.27 -0.13 0.00 -0.53 0.00 0.00 54.79 54.48 1n8y n ASP 482 Cb 0.27 0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 41.09 1n8y n ASP 482 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n8y n GLY 484 N 0.30 -0.49 0.10 0.00 0.00 -0.48 -1.60 105.19 103.02 1n8y n GLY 484 Ca -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1n8y n GLY 484 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8y n LEU 485 N -0.88 2.15 -0.01 0.99 4.77 -1.23 -4.59 117.00 118.21 1n8y n LEU 485 Ca 0.09 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 1n8y n LEU 485 Cb 0.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n8y n LEU 485 CO 0.07 0.54 0.45 1.21 -1.33 0.00 0.00 177.39 178.33 1n8y n GLU 486 N -0.37 2.35 -0.99 3.23 2.13 -0.63 -4.98 120.64 121.38 1n8y n GLU 486 Ca 0.02 -1.34 0.00 0.00 0.66 0.00 0.00 57.16 56.50 1n8y n GLU 486 Cb 0.29 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.08 1n8y n GLU 486 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n8y n GLY 487 N -0.43 0.57 3.52 8.31 0.00 -1.22 -4.94 105.19 111.00 1n8y n GLY 487 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1n8y n GLY 487 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8y s LEU 488 N 0.00 4.44 0.14 0.99 1.43 -1.06 -4.91 118.68 119.71 1n8y s LEU 488 Ca 0.00 -2.58 0.04 0.00 -1.03 0.00 0.00 54.13 50.56 1n8y s LEU 488 Cb 0.00 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1n8y s LEU 488 CO 0.00 -1.00 -0.10 0.68 0.23 0.00 0.00 176.35 176.15 1n8y s VAL 489 N 3.00 1.14 0.23 -1.59 -7.23 -1.26 -4.12 120.40 110.57 1n8y s VAL 489 Ca 0.47 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 58.34 1n8y s VAL 489 Cb 0.00 -1.76 -0.14 0.00 0.56 0.00 0.00 36.38 35.04 1n8y s VAL 489 CO 0.02 -0.70 1.38 0.00 -0.31 0.00 0.00 175.10 175.49 1n8y n ASN 491 N 2.20 0.03 0.00 0.00 5.15 -1.26 -4.88 115.26 116.49 1n8y n ASN 491 Ca 0.12 0.88 0.13 0.00 -0.60 0.00 0.00 54.58 55.11 1n8y n ASN 491 Cb 0.30 -1.25 0.60 0.00 -0.53 0.00 0.00 39.78 38.90 1n8y n ASN 491 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1n8y n SER 492 N 0.44 0.00 0.06 1.20 3.41 -1.26 -2.21 113.62 115.26 1n8y n SER 492 Ca 0.11 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1n8y n SER 492 Cb 0.43 -0.44 0.21 0.00 -0.26 0.00 0.00 64.21 64.15 1n8y n SER 492 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n8y n LEU 493 N -1.44 0.67 -4.71 1.04 4.77 -1.26 -4.84 117.00 111.23 1n8y n LEU 493 Ca 0.08 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 1n8y n LEU 493 Cb 0.28 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1n8y n LEU 493 CO 0.23 -0.04 1.03 0.00 -1.33 0.00 0.00 177.39 177.28 1n8y s ALA 495 N 1.37 3.87 -1.17 0.00 0.00 -0.61 -3.48 121.76 121.75 1n8y s ALA 495 Ca 0.63 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.18 1n8y s ALA 495 Cb -0.34 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1n8y s ALA 495 CO 0.29 -0.95 0.00 0.72 0.00 0.00 0.00 175.76 175.82 1n8y n HIS 496 N 3.32 0.00 -1.60 0.00 8.25 -1.26 -2.42 115.22 121.51 1n8y n HIS 496 Ca 0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.43 1n8y n HIS 496 Cb 0.36 -2.40 -0.06 0.00 1.12 0.00 0.00 29.99 29.01 1n8y n HIS 496 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n8y n GLY 497 N -0.68 1.29 3.59 -1.41 0.00 -1.23 -5.00 105.19 101.75 1n8y n GLY 497 Ca -0.11 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1n8y n GLY 497 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n8y s HIS 498 N -2.62 3.23 0.27 1.61 3.76 -1.02 -4.80 115.29 115.73 1n8y s HIS 498 Ca 0.00 0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 55.06 1n8y s HIS 498 Cb 0.00 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.18 1n8y s HIS 498 CO 0.00 -0.22 0.48 0.00 -0.85 0.00 0.00 174.74 174.15 1n8y n TRP 500 N -0.42 0.07 0.00 0.00 7.02 0.31 -3.41 117.44 121.01 1n8y n TRP 500 Ca -0.01 -0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1n8y n TRP 500 Cb 0.62 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 1n8y n TRP 500 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n8y n GLY 501 N 0.34 -0.99 3.81 6.99 0.00 -1.26 -0.62 105.19 113.46 1n8y n GLY 501 Ca 0.05 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1n8y n GLY 501 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n8y s PRO 502 N -2.00 3.06 0.00 1.61 0.04 -1.26 -4.71 135.00 131.73 1n8y s PRO 502 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1n8y s PRO 502 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1n8y s PRO 502 CO 0.00 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1n8y n GLY 503 N -1.54 -0.95 0.02 0.56 0.00 -1.26 -4.58 105.19 97.44 1n8y n GLY 503 Ca 0.08 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.60 1n8y n GLY 503 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n8y n PRO 504 N -1.01 0.97 0.00 1.61 -0.04 -1.26 -3.20 135.00 132.07 1n8y n PRO 504 Ca 0.00 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1n8y n PRO 504 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 1n8y n PRO 504 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1n8y n THR 505 N -0.98 0.00 -0.52 0.52 -2.24 -1.26 -1.41 114.28 108.38 1n8y n THR 505 Ca 0.23 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 1n8y n THR 505 Cb 0.13 0.31 0.26 0.00 -2.10 0.00 0.00 70.33 68.94 1n8y n THR 505 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n8y n GLN 506 N -1.18 3.18 -2.08 -0.78 1.13 -1.20 -4.92 117.38 111.53 1n8y n GLN 506 Ca 0.08 -2.57 -0.39 0.00 -1.94 0.00 0.00 57.00 52.19 1n8y n GLN 506 Cb 0.34 -1.63 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 1n8y n GLN 506 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8y h VAL 508 N 2.19 1.36 -3.98 0.00 2.07 -1.69 -3.45 116.25 112.75 1n8y h VAL 508 Ca -0.50 -1.09 -0.35 0.00 0.82 0.00 0.00 66.70 65.58 1n8y h VAL 508 Cb 1.25 2.03 -0.26 0.00 -1.52 0.00 0.00 31.29 32.79 1n8y h VAL 508 CO 0.61 0.29 -0.76 0.20 0.02 0.00 0.00 177.57 177.93 1n8y s ASN 509 N -5.73 0.98 0.11 0.57 0.01 -1.26 -5.08 114.94 104.55 1n8y s ASN 509 Ca -0.15 -0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 51.41 1n8y s ASN 509 Cb 0.03 -0.06 -0.06 0.00 0.41 0.00 0.00 41.25 41.56 1n8y s ASN 509 CO 0.69 0.00 0.94 0.00 -1.51 0.00 0.00 177.10 177.22 1n8y n SER 511 N 2.70 0.51 0.00 0.00 7.64 -0.91 -4.78 113.62 118.77 1n8y n SER 511 Ca 0.02 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1n8y n SER 511 Cb 0.49 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1n8y n SER 511 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n8y n HIS 512 N -1.12 0.00 -3.97 1.43 8.25 -1.26 -5.05 115.22 113.49 1n8y n HIS 512 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1n8y n HIS 512 Cb 0.32 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 1n8y n HIS 512 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1n8y s PHE 513 N 3.36 3.41 -0.13 4.41 0.40 -0.90 -4.92 117.98 123.60 1n8y s PHE 513 Ca 0.00 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.45 1n8y s PHE 513 Cb 0.00 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1n8y s PHE 513 CO 0.00 0.55 -0.03 -0.51 0.70 0.00 0.00 175.22 175.93 1n8y s LEU 514 N -2.75 3.33 -0.39 -0.37 1.43 -0.19 -0.05 118.68 119.69 1n8y s LEU 514 Ca 0.33 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1n8y s LEU 514 Cb -0.12 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.40 1n8y s LEU 514 CO 0.26 0.23 0.18 -0.60 0.23 0.00 0.00 176.35 176.65 1n8y s ARG 515 N 0.01 2.30 7.44 1.70 3.52 0.13 -0.39 118.95 133.67 1n8y s ARG 515 Ca 0.01 -1.58 0.00 0.00 -0.13 0.00 0.00 55.73 54.03 1n8y s ARG 515 Cb -0.13 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1n8y s ARG 515 CO 0.02 -0.94 0.00 0.41 -0.81 0.00 0.00 175.30 173.99 1n8y n GLY 516 N 4.71 3.10 0.95 8.12 0.00 -1.26 -1.11 105.19 119.70 1n8y n GLY 516 Ca -0.07 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1n8y n GLY 516 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n8y n GLN 517 N 9.66 3.04 -3.93 1.61 3.00 -1.26 -4.98 117.38 124.53 1n8y n GLN 517 Ca 0.00 -2.84 -0.35 0.00 -0.01 0.00 0.00 57.00 53.80 1n8y n GLN 517 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 30.24 28.30 1n8y n GLN 517 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1n8y s GLU 518 N -2.76 4.02 -0.15 -1.09 2.12 -0.26 -4.40 118.70 116.17 1n8y s GLU 518 Ca 0.42 -0.30 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 1n8y s GLU 518 Cb 0.34 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1n8y s GLU 518 CO 0.10 0.30 0.97 0.00 -0.54 0.00 0.00 175.26 176.08 1n8y s VAL 520 N 2.34 0.89 0.23 0.00 -7.23 0.93 -4.85 120.40 112.72 1n8y s VAL 520 Ca 0.44 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1n8y s VAL 520 Cb -0.17 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 35.74 1n8y s VAL 520 CO 0.13 -0.40 1.64 -0.08 -0.31 0.00 0.00 175.10 176.09 1n8y h GLU 521 N 4.05 0.70 -3.40 4.82 4.81 -1.97 -2.38 114.58 121.21 1n8y h GLU 521 Ca -0.38 -0.28 -0.16 0.00 -0.13 0.00 0.00 59.36 58.40 1n8y h GLU 521 Cb 1.19 -0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.31 1n8y h GLU 521 CO 0.45 0.88 -0.50 -2.00 -0.73 0.00 0.00 179.01 177.12 1n8y s GLU 522 N -4.55 0.35 0.57 1.92 2.12 -1.26 -4.62 118.70 113.23 1n8y s GLU 522 Ca -0.09 -0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.03 1n8y s GLU 522 Cb 0.13 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 1n8y s GLU 522 CO 0.83 -0.07 1.01 0.00 -0.54 0.00 0.00 175.26 176.48 1n8y n ARG 524 N -2.25 3.64 0.11 0.00 1.74 -1.26 -4.56 116.66 114.08 1n8y n ARG 524 Ca 0.06 -2.53 -0.21 0.00 -0.77 0.00 0.00 57.85 54.40 1n8y n ARG 524 Cb 0.54 -2.89 -0.15 0.00 -1.02 0.00 0.00 32.46 28.94 1n8y n ARG 524 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1n8y h VAL 525 N 3.20 1.26 0.00 1.55 2.07 -1.94 0.18 116.25 122.57 1n8y h VAL 525 Ca 0.77 -2.77 -0.11 0.00 0.82 0.00 0.00 66.70 65.40 1n8y h VAL 525 Cb 0.38 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1n8y h VAL 525 CO 1.76 0.84 -1.43 0.79 0.02 0.00 0.00 177.57 179.55 1n8y n TRP 526 N -3.62 0.00 -4.42 1.57 7.02 -1.26 -4.30 117.44 112.43 1n8y n TRP 526 Ca -0.16 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.11 1n8y n TRP 526 Cb 1.07 -0.30 -0.16 0.00 -2.42 0.00 0.00 31.31 29.51 1n8y n TRP 526 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n8y s LYS 527 N -2.15 1.03 0.00 -0.99 2.20 -1.26 -4.95 119.74 113.61 1n8y s LYS 527 Ca -0.05 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1n8y s LYS 527 Cb 0.02 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 1n8y s LYS 527 CO 0.23 0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 1n8y n GLY 528 N 3.31 3.42 5.19 5.54 0.00 -1.26 -4.28 105.19 117.11 1n8y n GLY 528 Ca -0.18 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1n8y n GLY 528 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8y n LEU 529 N 0.00 0.00 -4.74 0.99 4.77 -1.26 -3.23 117.00 113.53 1n8y n LEU 529 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1n8y n LEU 529 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1n8y n LEU 529 CO 0.00 0.00 0.48 -2.16 -1.33 0.00 0.00 177.39 174.38 1n8y s PRO 530 N 0.00 4.50 0.69 3.23 0.04 -1.26 -5.10 135.00 137.09 1n8y s PRO 530 Ca 0.00 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1n8y s PRO 530 Cb 0.00 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1n8y s PRO 530 CO 0.00 0.22 1.06 1.03 0.04 0.00 0.00 177.00 179.35 1n8y s ARG 531 N 0.16 3.00 0.06 4.56 1.81 -1.20 -4.87 118.95 122.47 1n8y s ARG 531 Ca 0.40 0.90 0.01 0.00 -1.72 0.00 0.00 55.73 55.32 1n8y s ARG 531 Cb -0.20 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.26 1n8y s ARG 531 CO 0.23 -1.04 -0.06 -1.21 -0.68 0.00 0.00 175.30 172.54 1n8y s GLU 532 N -5.07 0.64 0.27 3.54 2.02 0.62 -1.16 118.70 119.56 1n8y s GLU 532 Ca 0.58 -1.07 0.11 0.00 0.02 0.00 0.00 54.97 54.60 1n8y s GLU 532 Cb -0.14 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.96 1n8y s GLU 532 CO 0.55 -0.03 -0.18 1.52 0.02 0.00 0.00 175.26 177.14 1n8y s TYR 533 N -2.87 2.18 0.02 1.61 -0.85 0.17 -4.06 117.35 113.56 1n8y s TYR 533 Ca 0.02 -0.38 -0.02 0.00 -0.52 0.00 0.00 57.07 56.16 1n8y s TYR 533 Cb 0.00 -0.97 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1n8y s TYR 533 CO -0.04 0.64 0.21 0.08 -1.52 0.00 0.00 175.55 174.92 1n8y s VAL 534 N -2.60 5.40 -0.30 -3.49 1.01 -1.26 -1.05 120.40 118.10 1n8y s VAL 534 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1n8y s VAL 534 Cb -0.04 -3.57 0.19 0.00 0.00 0.00 0.00 36.38 32.96 1n8y s VAL 534 CO 0.14 0.27 0.86 -0.55 0.00 0.00 0.00 175.10 175.81 1n8y s SER 535 N -2.08 -0.91 -0.80 3.32 0.15 -1.15 -4.96 113.70 107.26 1n8y s SER 535 Ca 0.30 0.17 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1n8y s SER 535 Cb -0.13 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1n8y s SER 535 CO 0.21 -0.17 0.68 0.47 1.20 0.00 0.00 173.24 175.64 1n8y n ASP 536 N 5.27 -3.20 -2.27 5.45 10.43 -1.26 -2.46 116.55 128.51 1n8y n ASP 536 Ca 0.06 -0.37 -0.20 0.00 2.57 0.00 0.00 54.79 56.85 1n8y n ASP 536 Cb 0.56 -3.40 -0.02 0.00 1.84 0.00 0.00 41.12 40.09 1n8y n ASP 536 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1n8y n LYS 537 N -3.14 -1.71 -4.10 -1.24 4.76 -1.26 -4.97 118.16 106.49 1n8y n LYS 537 Ca -0.10 0.99 -0.33 0.00 -2.87 0.00 0.00 58.31 56.00 1n8y n LYS 537 Cb 0.58 -5.60 -0.16 0.00 -1.84 0.00 0.00 35.03 28.01 1n8y n LYS 537 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n8y s ARG 538 N -4.83 2.79 -0.33 1.97 1.81 -1.03 -1.02 118.95 118.31 1n8y s ARG 538 Ca 0.00 -0.91 -0.28 0.00 -1.72 0.00 0.00 55.73 52.82 1n8y s ARG 538 Cb 0.00 -2.60 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 1n8y s ARG 538 CO 0.00 -0.28 1.81 0.00 -0.68 0.00 0.00 175.30 176.15 1n8y s LEU 540 N 6.92 2.27 0.19 0.00 1.43 -0.22 -4.58 118.68 124.69 1n8y s LEU 540 Ca 0.80 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.14 1n8y s LEU 540 Cb -0.23 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1n8y s LEU 540 CO 0.34 0.22 1.40 -2.16 0.23 0.00 0.00 176.35 176.37 1n8y s PRO 541 N 0.01 4.32 0.77 1.29 0.04 -1.26 0.44 135.00 140.60 1n8y s PRO 541 Ca -0.08 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 1n8y s PRO 541 Cb -0.15 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.27 1n8y s PRO 541 CO 0.05 -0.39 1.21 0.00 0.04 0.00 0.00 177.00 177.91 1n8y n HIS 543 N -2.99 2.22 0.26 0.00 -0.00 -1.22 -4.87 115.22 108.61 1n8y n HIS 543 Ca 0.13 0.52 0.18 0.00 0.46 0.00 0.00 57.72 59.01 1n8y n HIS 543 Cb 0.50 -2.40 0.94 0.00 -0.12 0.00 0.00 29.99 28.91 1n8y n HIS 543 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1n8y h PRO 544 N 2.31 0.00 -0.01 1.57 0.13 -1.92 -0.78 132.00 133.30 1n8y h PRO 544 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n8y h PRO 544 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1n8y h PRO 544 CO 0.61 0.00 -0.13 0.39 -0.23 0.00 0.00 178.00 178.64 1n8y n GLU 545 N -2.71 0.88 -2.28 0.86 -0.58 -1.26 -4.88 120.64 110.68 1n8y n GLU 545 Ca -0.02 -0.39 -0.41 0.00 -0.42 0.00 0.00 57.16 55.92 1n8y n GLU 545 Cb 0.05 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1n8y n GLU 545 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n8y s GLN 547 N -0.61 4.22 0.18 0.00 2.00 0.13 -4.50 119.66 121.09 1n8y s GLN 547 Ca 0.53 0.97 -0.33 0.00 -2.00 0.00 0.00 55.36 54.52 1n8y s GLN 547 Cb -0.35 -3.62 -0.13 0.00 0.80 0.00 0.00 33.01 29.70 1n8y s GLN 547 CO 0.41 -0.45 1.60 -2.30 -0.50 0.00 0.00 175.29 174.05 1n8y n PRO 548 N 5.75 2.29 -3.48 1.67 -0.02 -1.26 -4.54 135.00 135.41 1n8y n PRO 548 Ca 0.05 0.83 -0.38 0.00 -2.02 0.00 0.00 63.50 61.98 1n8y n PRO 548 Cb 0.48 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1n8y n PRO 548 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1n8y s GLN 549 N 0.89 3.95 0.34 -0.52 -1.52 -1.26 -4.97 119.66 116.57 1n8y s GLN 549 Ca 0.77 0.43 0.18 0.00 -1.95 0.00 0.00 55.36 54.79 1n8y s GLN 549 Cb -0.64 -3.23 0.22 0.00 -0.22 0.00 0.00 33.01 29.15 1n8y s GLN 549 CO 0.37 0.67 1.53 -0.91 -0.25 0.00 0.00 175.29 176.70 1n8y h ASN 550 N 4.78 0.00 0.00 5.90 2.35 -1.93 -3.40 115.58 123.28 1n8y h ASN 550 Ca -0.51 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.19 1n8y h ASN 550 Cb 1.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1n8y h ASN 550 CO 0.62 0.32 -1.18 -1.20 -1.65 0.00 0.00 177.43 174.34 1n8y n SER 551 N -3.20 3.97 -4.45 5.81 7.64 -1.26 -5.09 113.62 117.04 1n8y n SER 551 Ca 0.02 -0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 1n8y n SER 551 Cb 0.65 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.93 1n8y n SER 551 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1n8y s SER 552 N -3.97 3.63 0.47 6.43 1.04 -1.26 -5.11 113.70 114.93 1n8y s SER 552 Ca -0.03 -1.72 -0.22 0.00 0.48 0.00 0.00 55.95 54.45 1n8y s SER 552 Cb 0.01 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.69 1n8y s SER 552 CO 0.08 -0.96 0.92 -0.62 0.98 0.00 0.00 173.24 173.64 1n8y n GLU 553 N -1.16 1.12 0.02 4.02 1.02 -1.26 -4.40 120.64 119.99 1n8y n GLU 553 Ca -0.15 0.41 -0.05 0.00 -0.02 0.00 0.00 57.16 57.35 1n8y n GLU 553 Cb 0.66 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 1n8y n GLU 553 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1n8y h THR 554 N 1.16 0.84 -3.30 2.62 2.02 -1.88 -3.43 112.91 110.94 1n8y h THR 554 Ca -0.45 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.22 1n8y h THR 554 Cb 1.35 2.34 -0.08 0.00 -1.74 0.00 0.00 68.15 70.02 1n8y h THR 554 CO 0.54 0.48 0.06 0.00 0.37 0.00 0.00 175.52 176.96 1n8y n PHE 556 N -0.40 0.00 -2.88 0.00 1.16 -0.53 -4.78 117.46 110.04 1n8y n PHE 556 Ca -0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 1n8y n PHE 556 Cb 0.61 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 1n8y n PHE 556 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1n8y n GLY 557 N -0.21 2.04 0.10 4.97 0.00 -1.26 -4.99 105.19 105.84 1n8y n GLY 557 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.16 1n8y n GLY 557 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n8y n SER 558 N -0.69 0.78 -4.86 1.61 7.64 -1.26 -4.48 113.62 112.36 1n8y n SER 558 Ca 0.00 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 1n8y n SER 558 Cb 0.00 0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1n8y n SER 558 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1n8y s GLU 559 N -3.20 3.87 0.63 1.43 0.41 -1.26 -3.42 118.70 117.16 1n8y s GLU 559 Ca -0.02 0.54 0.22 0.00 -0.41 0.00 0.00 54.97 55.30 1n8y s GLU 559 Cb 0.09 -2.42 1.07 0.00 -1.78 0.00 0.00 34.13 31.10 1n8y s GLU 559 CO 0.81 0.05 1.57 0.00 -0.49 0.00 0.00 175.26 177.20 1n8y h ALA 560 N 1.70 2.08 0.00 5.21 0.00 -1.93 0.35 119.26 126.67 1n8y h ALA 560 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n8y h ALA 560 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n8y h ALA 560 CO 0.65 -0.90 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1n8y n ASP 561 N -3.11 0.10 -0.82 0.00 9.92 -1.26 -1.90 116.55 119.48 1n8y n ASP 561 Ca 0.07 0.51 0.05 0.00 -0.53 0.00 0.00 54.79 54.89 1n8y n ASP 561 Cb 0.85 -0.54 0.22 0.00 -0.64 0.00 0.00 41.12 41.02 1n8y n ASP 561 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n8y n GLN 562 N -1.60 2.29 -3.22 -1.24 6.02 0.12 -4.92 117.38 114.84 1n8y n GLN 562 Ca 0.07 -2.91 -0.33 0.00 -0.01 0.00 0.00 57.00 53.82 1n8y n GLN 562 Cb 0.34 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 1n8y n GLN 562 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n8y h ALA 564 N 2.57 1.04 -2.84 0.00 0.00 -1.39 -3.47 119.26 115.17 1n8y h ALA 564 Ca -0.48 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1n8y h ALA 564 Cb 1.18 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1n8y h ALA 564 CO 0.66 0.02 0.28 0.00 0.00 0.00 0.00 179.25 180.21 1n8y s ALA 565 N -6.05 -1.59 -0.04 0.00 0.00 -1.26 -5.05 121.76 107.76 1n8y s ALA 565 Ca -0.13 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.08 1n8y s ALA 565 Cb 0.18 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 1n8y s ALA 565 CO 0.77 -0.80 0.65 0.00 0.00 0.00 0.00 175.76 176.37 1n8y h ALA 567 N 6.23 1.02 -3.00 0.00 0.00 -1.01 -3.41 119.26 119.09 1n8y h ALA 567 Ca -0.43 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1n8y h ALA 567 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n8y h ALA 567 CO 0.73 0.69 0.00 0.72 0.00 0.00 0.00 179.25 181.39 1n8y n HIS 568 N -3.89 0.00 -3.99 0.00 8.25 -1.26 -4.99 115.22 109.34 1n8y n HIS 568 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 1n8y n HIS 568 Cb 0.57 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 1n8y n HIS 568 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1n8y s TYR 569 N 0.62 2.55 -0.03 4.41 4.12 -0.62 -4.85 117.35 123.55 1n8y s TYR 569 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 57.07 56.52 1n8y s TYR 569 Cb 0.00 -2.00 0.01 0.00 -1.52 0.00 0.00 41.96 38.45 1n8y s TYR 569 CO 0.00 0.07 -0.05 0.21 0.02 0.00 0.00 175.55 175.80 1n8y s LYS 570 N -3.98 0.70 -0.24 -0.62 2.20 -0.43 -1.21 119.74 116.16 1n8y s LYS 570 Ca 0.42 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1n8y s LYS 570 Cb 0.02 -0.71 0.06 0.00 -1.51 0.00 0.00 37.83 35.69 1n8y s LYS 570 CO 0.23 -0.02 -0.06 0.34 -0.36 0.00 0.00 175.35 175.49 1n8y s ASP 571 N 0.59 3.89 1.77 1.43 2.15 -0.13 -0.22 116.67 126.15 1n8y s ASP 571 Ca -0.08 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 51.72 1n8y s ASP 571 Cb -0.11 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 1n8y s ASP 571 CO 0.00 -0.23 0.00 -0.24 -0.17 0.00 0.00 175.17 174.53 1n8y n SER 572 N 4.65 0.00 -0.70 -0.34 2.88 -1.26 -1.63 113.62 117.21 1n8y n SER 572 Ca -0.12 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1n8y n SER 572 Cb 0.44 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 1n8y n SER 572 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1n8y n SER 573 N 10.46 2.60 -4.42 -3.46 3.41 -1.26 -4.99 113.62 115.96 1n8y n SER 573 Ca 0.00 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.56 1n8y n SER 573 Cb 0.00 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 1n8y n SER 573 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n8y s SER 574 N -1.19 3.49 0.03 4.04 1.04 -0.65 -4.40 113.70 116.06 1n8y s SER 574 Ca 0.22 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 55.71 1n8y s SER 574 Cb 0.14 -0.32 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1n8y s SER 574 CO 0.20 0.18 0.78 0.00 0.98 0.00 0.00 173.24 175.38 1n8y s VAL 576 N 0.14 0.63 0.20 0.00 -7.23 -0.35 -4.84 120.40 108.95 1n8y s VAL 576 Ca 0.40 -1.01 0.16 0.00 -1.81 0.00 0.00 61.98 59.71 1n8y s VAL 576 Cb -0.20 -0.66 0.09 0.00 0.56 0.00 0.00 36.38 36.17 1n8y s VAL 576 CO 0.23 -0.29 1.70 0.00 -0.31 0.00 0.00 175.10 176.43 1n8y h ALA 577 N 4.66 1.00 -2.49 1.32 0.00 -1.96 -1.66 119.26 120.12 1n8y h ALA 577 Ca -0.36 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.04 1n8y h ALA 577 Cb 1.20 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 1n8y h ALA 577 CO 0.42 0.55 -0.21 1.03 0.00 0.00 0.00 179.25 181.04 1n8y s ARG 578 N -3.62 0.68 0.42 0.00 0.52 -1.26 -4.75 118.95 110.95 1n8y s ARG 578 Ca -0.00 0.00 -0.25 0.00 -0.52 0.00 0.00 55.73 54.96 1n8y s ARG 578 Cb 0.11 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 35.82 1n8y s ARG 578 CO 0.71 -0.18 1.23 0.00 0.02 0.00 0.00 175.30 177.08 1n8y s PRO 580 N -2.37 3.88 -0.28 0.00 0.04 -1.26 -4.87 135.00 130.13 1n8y s PRO 580 Ca 0.59 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.81 1n8y s PRO 580 Cb -0.34 -4.14 0.04 0.00 0.04 0.00 0.00 34.50 30.11 1n8y s PRO 580 CO 0.42 -1.23 -0.03 -1.12 0.04 0.00 0.00 177.00 175.08 1n8y s SER 581 N 4.91 4.66 -0.92 6.66 0.01 -1.26 0.98 113.70 128.74 1n8y s SER 581 Ca 0.84 -1.13 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 1n8y s SER 581 Cb -0.35 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1n8y s SER 581 CO 0.35 -0.21 0.79 0.61 0.41 0.00 0.00 173.24 175.20 1n8y n GLY 582 N 4.63 -0.11 3.67 3.44 0.00 0.31 -4.97 105.19 112.15 1n8y n GLY 582 Ca -0.14 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1n8y n GLY 582 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8y s VAL 583 N -3.24 5.33 -0.23 1.61 1.01 -0.77 -4.74 120.40 119.37 1n8y s VAL 583 Ca 0.27 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 1n8y s VAL 583 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1n8y s VAL 583 CO 0.52 0.33 0.10 -0.54 0.00 0.00 0.00 175.10 175.51 1n8y s LYS 584 N 1.06 3.85 0.77 2.72 1.02 -1.26 -0.28 119.74 127.63 1n8y s LYS 584 Ca 0.10 -0.38 -0.14 0.00 0.02 0.00 0.00 55.97 55.56 1n8y s LYS 584 Cb -0.14 -3.38 0.06 0.00 -0.52 0.00 0.00 37.83 33.85 1n8y s LYS 584 CO 0.05 -0.02 1.22 -2.30 -0.92 0.00 0.00 175.35 173.38 1n8y n PRO 585 N 4.47 0.41 0.00 -1.68 -0.02 -1.26 -4.90 135.00 132.02 1n8y n PRO 585 Ca -0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1n8y n PRO 585 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1n8y n PRO 585 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1n8y n ASP 586 N -2.93 0.00 -2.41 2.55 -0.08 -1.26 -2.10 116.55 110.32 1n8y n ASP 586 Ca 0.14 0.23 -0.32 0.00 -1.51 0.00 0.00 54.79 53.33 1n8y n ASP 586 Cb 0.50 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.01 1n8y n ASP 586 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1n8y n LEU 587 N -0.59 7.38 -4.08 -2.67 4.77 -1.26 -4.88 117.00 115.67 1n8y n LEU 587 Ca 0.00 -4.24 -0.18 0.00 -0.03 0.00 0.00 56.01 51.56 1n8y n LEU 587 Cb 0.00 -1.03 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 1n8y n LEU 587 CO 0.00 1.52 -0.44 -0.55 -1.33 0.00 0.00 177.39 176.59 1n8y s SER 588 N -1.16 1.28 0.29 -1.43 0.15 -0.89 -5.03 113.70 106.91 1n8y s SER 588 Ca 0.56 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 57.11 1n8y s SER 588 Cb 0.44 -0.09 0.25 0.00 -1.71 0.00 0.00 66.02 64.91 1n8y s SER 588 CO -0.12 0.04 1.37 0.10 1.20 0.00 0.00 173.24 175.83 1n8y h TYR 589 N 5.33 0.00 -3.64 3.44 -0.00 -1.90 -3.41 116.97 116.79 1n8y h TYR 589 Ca -0.34 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 57.80 1n8y h TYR 589 Cb 1.18 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.82 1n8y h TYR 589 CO 0.49 0.00 0.69 1.41 -0.00 0.00 0.00 178.16 180.74 1n8y s MET 590 N -3.26 3.65 0.32 0.10 1.75 -1.26 -5.02 119.30 115.58 1n8y s MET 590 Ca 0.04 0.36 -0.22 0.00 -1.25 0.00 0.00 55.69 54.62 1n8y s MET 590 Cb 0.08 -3.90 -0.10 0.00 2.84 0.00 0.00 34.83 33.76 1n8y s MET 590 CO 0.72 -1.22 0.86 -2.14 -0.65 0.00 0.00 175.02 172.60 1n8y s PRO 591 N 3.90 4.36 -0.15 4.11 0.02 -1.26 -4.43 135.00 141.55 1n8y s PRO 591 Ca 0.40 1.09 -0.16 0.00 0.02 0.00 0.00 61.00 62.35 1n8y s PRO 591 Cb -0.10 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 1n8y s PRO 591 CO 0.26 0.23 0.39 0.42 -0.33 0.00 0.00 177.00 177.97 1n8y s ILE 592 N -1.75 5.24 -0.18 2.83 1.01 0.62 -4.81 121.20 124.16 1n8y s ILE 592 Ca 0.51 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.92 1n8y s ILE 592 Cb -0.15 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1n8y s ILE 592 CO 0.20 0.34 -0.19 0.26 0.00 0.00 0.00 174.94 175.55 1n8y s TRP 593 N 0.67 2.71 0.20 3.97 0.52 -1.26 -0.53 118.94 125.23 1n8y s TRP 593 Ca 0.21 -1.60 0.02 0.00 0.02 0.00 0.00 56.10 54.75 1n8y s TRP 593 Cb -0.14 -1.88 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 1n8y s TRP 593 CO 0.07 -0.79 0.01 0.15 0.02 0.00 0.00 176.95 176.41 1n8y s LYS 594 N 1.31 1.22 0.00 4.98 1.02 0.27 -0.71 119.74 127.84 1n8y s LYS 594 Ca 0.05 -1.61 -0.07 0.00 0.02 0.00 0.00 55.97 54.36 1n8y s LYS 594 Cb -0.13 -0.38 -0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1n8y s LYS 594 CO -0.13 -0.14 0.12 1.52 -0.92 0.00 0.00 175.35 175.80 1n8y s TYR 595 N -3.59 0.06 0.03 3.18 -0.85 -0.37 -4.58 117.35 111.22 1n8y s TYR 595 Ca 0.27 -0.16 -0.30 0.00 -0.52 0.00 0.00 57.07 56.35 1n8y s TYR 595 Cb 0.06 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1n8y s TYR 595 CO 0.07 -0.28 1.11 -1.25 -1.52 0.00 0.00 175.55 173.68 1n8y s PRO 596 N -1.37 4.47 1.01 -3.49 0.04 -1.26 0.02 135.00 134.42 1n8y s PRO 596 Ca -0.15 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 1n8y s PRO 596 Cb -0.08 -3.41 -0.16 0.00 0.04 0.00 0.00 34.50 30.90 1n8y s PRO 596 CO 0.01 -0.19 -1.19 -0.25 0.04 0.00 0.00 177.00 175.42 1n8y n ASP 597 N 4.02 -3.69 0.31 6.66 10.43 0.48 -4.81 116.55 129.96 1n8y n ASP 597 Ca 0.08 0.04 0.18 0.00 2.57 0.00 0.00 54.79 57.66 1n8y n ASP 597 Cb 0.48 -0.62 1.01 0.00 1.84 0.00 0.00 41.12 43.82 1n8y n ASP 597 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 177.20 177.18 1n8y h GLU 598 N -1.11 0.00 -0.43 -1.24 4.11 -1.96 -2.36 114.58 111.60 1n8y h GLU 598 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1n8y h GLU 598 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1n8y h GLU 598 CO 0.23 0.02 0.00 0.39 0.07 0.00 0.00 179.01 179.72 1n8y n GLU 599 N -3.48 3.28 -0.73 1.06 -0.58 -1.26 -4.96 120.64 113.97 1n8y n GLU 599 Ca -0.03 -2.65 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1n8y n GLU 599 Cb 0.11 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1n8y n GLU 599 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n8y n GLY 600 N 0.37 0.58 3.69 0.62 0.00 -0.89 -4.97 105.19 104.59 1n8y n GLY 600 Ca 0.20 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1n8y n GLY 600 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8y s ILE 601 N -2.00 5.19 -0.09 -0.61 -1.09 -1.26 -1.31 121.20 120.02 1n8y s ILE 601 Ca 0.00 0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 58.93 1n8y s ILE 601 Cb 0.00 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1n8y s ILE 601 CO 0.00 0.27 1.63 0.00 -1.23 0.00 0.00 174.94 175.61 1n8y s GLN 603 N 4.14 2.13 0.17 0.00 -1.52 0.10 -4.77 119.66 119.91 1n8y s GLN 603 Ca 0.72 -1.02 -0.32 0.00 -1.95 0.00 0.00 55.36 52.80 1n8y s GLN 603 Cb -0.31 -2.31 -0.11 0.00 -0.22 0.00 0.00 33.01 30.06 1n8y s GLN 603 CO 0.29 0.51 1.68 -2.14 -0.25 0.00 0.00 175.29 175.37 1n8y s PRO 604 N -2.21 4.16 0.37 2.91 0.02 -1.26 -1.24 135.00 137.75 1n8y s PRO 604 Ca 0.21 2.49 -0.28 0.00 0.02 0.00 0.00 61.00 63.45 1n8y s PRO 604 Cb -0.11 -3.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.07 1n8y s PRO 604 CO 0.14 -0.71 1.45 0.00 -0.33 0.00 0.00 177.00 177.54 1n8y n PRO 606 N 0.48 0.26 -4.43 0.00 -0.05 -1.26 -4.77 135.00 125.23 1n8y n PRO 606 Ca 0.01 0.08 -0.24 0.00 -0.05 0.00 0.00 63.50 63.30 1n8y n PRO 606 Cb 0.40 -1.50 -0.13 0.00 -0.05 0.00 0.00 33.50 32.22 1n8y n PRO 606 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1n8y s ILE 607 N -2.67 1.58 -2.92 0.52 1.01 -1.26 -5.25 121.20 112.21 1n8y s ILE 607 Ca 0.19 -1.32 0.25 0.00 0.00 0.00 0.00 60.65 59.77 1n8y s ILE 607 Cb 0.15 -1.41 0.25 0.00 0.01 0.00 0.00 42.46 41.46 1n8y s ILE 607 CO 0.37 0.04 1.34 0.59 0.00 0.00 0.00 174.94 177.28