#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m01 s ARG 15 N 0.00 -0.15 0.56 1.45 3.03 -1.26 -5.04 118.95 117.54 3m01 s ARG 15 Ca 0.00 0.56 -0.15 0.00 2.03 0.00 0.00 55.73 58.17 3m01 s ARG 15 Cb 0.00 -1.67 -0.06 0.00 -1.03 0.00 0.00 34.95 32.20 3m01 s ARG 15 CO 0.00 -3.14 1.01 -1.25 -1.13 0.00 0.00 175.30 170.79 3m01 s PRO 16 N -4.82 3.71 -0.09 3.89 0.04 -1.26 -5.00 135.00 131.47 3m01 s PRO 16 Ca 0.67 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3m01 s PRO 16 Cb -0.20 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3m01 s PRO 16 CO 0.60 -0.47 1.45 0.14 0.04 0.00 0.00 177.00 178.76 3m01 s VAL 17 N -2.74 3.89 -0.84 -0.36 -7.23 -1.26 -4.90 120.40 106.95 3m01 s VAL 17 Ca 0.59 1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 61.62 3m01 s VAL 17 Cb -0.11 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 32.97 3m01 s VAL 17 CO 0.38 -0.08 2.31 0.00 -0.31 0.00 0.00 175.10 177.40 3m01 s ALA 18 N 3.56 0.81 -0.89 1.32 0.00 -1.26 -4.73 121.76 120.56 3m01 s ALA 18 Ca 0.64 -0.99 0.28 0.00 0.00 0.00 0.00 51.96 51.89 3m01 s ALA 18 Cb -0.28 -4.59 1.03 0.00 0.00 0.00 0.00 23.12 19.28 3m01 s ALA 18 CO 0.23 -5.88 1.84 -3.47 0.00 0.00 0.00 175.76 168.47 3m01 n ASP 19 N 18.13 0.34 -4.22 0.00 2.03 -1.26 -4.94 116.55 126.62 3m01 n ASP 19 Ca 0.45 0.49 -0.35 0.00 0.52 0.00 0.00 54.79 55.91 3m01 n ASP 19 Cb 0.44 -0.56 0.08 0.00 -0.72 0.00 0.00 41.12 40.36 3m01 n ASP 19 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3m01 n PHE 20 N -1.80 -3.23 -4.11 -0.67 3.72 -1.26 -5.00 117.46 105.11 3m01 n PHE 20 Ca 0.06 0.11 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 3m01 n PHE 20 Cb 0.38 -1.62 -0.07 0.00 -0.94 0.00 0.00 39.48 37.22 3m01 n PHE 20 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3m01 s SER 21 N -1.51 5.41 0.74 4.37 0.01 -1.26 -5.11 113.70 116.35 3m01 s SER 21 Ca 0.49 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.64 3m01 s SER 21 Cb -0.21 -1.44 0.03 0.00 0.21 0.00 0.00 66.02 64.62 3m01 s SER 21 CO 0.74 0.21 1.08 -2.84 0.41 0.00 0.00 173.24 172.84 3m01 s PRO 22 N -2.12 2.57 0.08 12.44 0.02 -1.26 -4.66 135.00 142.07 3m01 s PRO 22 Ca 0.26 1.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.04 3m01 s PRO 22 Cb -0.12 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 3m01 s PRO 22 CO 0.18 -1.40 1.71 0.45 -0.33 0.00 0.00 177.00 177.61 3m01 s SER 23 N -3.58 6.55 0.00 2.53 0.15 -1.26 -4.84 113.70 113.25 3m01 s SER 23 Ca 0.60 2.57 0.24 0.00 0.70 0.00 0.00 55.95 60.05 3m01 s SER 23 Cb -0.16 -2.56 1.41 0.00 -1.71 0.00 0.00 66.02 63.00 3m01 s SER 23 CO 0.56 -0.92 1.82 0.18 1.20 0.00 0.00 173.24 176.08 3m01 n LEU 24 N 5.64 0.00 0.06 3.45 4.77 -1.26 -3.39 117.00 126.27 3m01 n LEU 24 Ca 0.16 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.26 3m01 n LEU 24 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3m01 n LEU 24 CO 0.64 0.00 -0.22 0.79 -1.33 0.00 0.00 177.39 177.26 3m01 n TRP 25 N -0.94 0.61 -4.22 -1.77 7.02 -1.26 -5.05 117.44 111.83 3m01 n TRP 25 Ca 0.18 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.84 3m01 n TRP 25 Cb 0.08 -0.78 0.00 0.00 -2.42 0.00 0.00 31.31 28.19 3m01 n TRP 25 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3m01 n GLY 26 N 1.22 2.55 1.74 6.99 0.00 -1.22 -1.64 105.19 114.82 3m01 n GLY 26 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 3m01 n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m01 n ASP 27 N 0.12 4.64 -0.40 1.61 5.68 -1.26 -4.61 116.55 122.33 3m01 n ASP 27 Ca 0.00 -3.20 0.34 0.00 -0.50 0.00 0.00 54.79 51.44 3m01 n ASP 27 Cb 0.00 -0.70 0.67 0.00 -1.14 0.00 0.00 41.12 39.95 3m01 n ASP 27 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3m01 h GLN 28 N 2.59 0.13 0.00 0.11 4.15 -1.73 0.22 115.11 120.58 3m01 h GLN 28 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3m01 h GLN 28 Cb 2.09 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.75 3m01 h GLN 28 CO 0.59 0.09 -0.65 1.19 -1.93 0.00 0.00 178.83 178.11 3m01 n PHE 29 N -4.41 0.00 -0.25 3.99 3.72 -1.26 -4.69 117.46 114.57 3m01 n PHE 29 Ca 0.31 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.75 3m01 n PHE 29 Cb 1.29 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 39.95 3m01 n PHE 29 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3m01 h LEU 30 N 0.00 -0.41 -7.72 4.37 5.85 -1.25 -3.35 115.31 112.80 3m01 h LEU 30 Ca 0.00 0.19 -0.59 0.00 0.84 0.00 0.00 57.88 58.32 3m01 h LEU 30 Cb 0.32 0.36 -0.37 0.00 0.37 0.00 0.00 40.66 41.33 3m01 h LEU 30 CO 0.00 -0.19 -0.80 -0.55 -0.34 0.00 0.00 178.44 176.56 3m01 s SER 31 N -5.20 3.25 -0.07 1.25 0.15 -1.26 -4.69 113.70 107.13 3m01 s SER 31 Ca -0.14 -0.84 0.01 0.00 0.70 0.00 0.00 55.95 55.68 3m01 s SER 31 Cb 0.22 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 63.43 3m01 s SER 31 CO 0.75 -0.17 -0.06 0.12 1.20 0.00 0.00 173.24 175.08 3m01 s PHE 32 N 1.48 1.05 -0.23 3.44 5.36 -1.26 -5.08 117.98 122.73 3m01 s PHE 32 Ca -0.01 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 3m01 s PHE 32 Cb -0.16 -0.89 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 3m01 s PHE 32 CO -0.08 -0.29 -0.11 -1.54 -1.46 0.00 0.00 175.22 171.74 3m01 s SER 33 N 1.16 4.01 -0.13 6.13 1.04 -1.26 -4.86 113.70 119.79 3m01 s SER 33 Ca -0.07 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 3m01 s SER 33 Cb -0.14 -1.59 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 3m01 s SER 33 CO -0.01 -0.10 1.57 -0.51 0.98 0.00 0.00 173.24 175.16 3m01 s ILE 34 N 1.26 3.75 -0.89 -1.02 2.07 -1.26 -4.93 121.20 120.19 3m01 s ILE 34 Ca -0.01 0.89 -0.25 0.00 -1.41 0.00 0.00 60.65 59.87 3m01 s ILE 34 Cb -0.16 -3.64 -0.07 0.00 0.13 0.00 0.00 42.46 38.72 3m01 s ILE 34 CO -0.07 -0.16 2.04 -0.54 -1.91 0.00 0.00 174.94 174.30 3m01 s LYS 35 N 4.17 2.36 0.49 3.50 1.02 -1.26 -4.81 119.74 125.21 3m01 s LYS 35 Ca 0.69 -0.15 0.34 0.00 0.02 0.00 0.00 55.97 56.87 3m01 s LYS 35 Cb -0.28 -5.01 1.46 0.00 -0.52 0.00 0.00 37.83 33.48 3m01 s LYS 35 CO 0.27 -3.60 1.71 -0.91 -0.92 0.00 0.00 175.35 171.89 3m01 h ASN 36 N 11.53 0.16 0.23 2.83 -0.26 -1.98 -0.62 115.58 127.47 3m01 h ASN 36 Ca 0.08 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 3m01 h ASN 36 Cb 1.00 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 3m01 h ASN 36 CO 1.17 -0.03 -0.11 1.56 -1.06 0.00 0.00 177.43 178.96 3m01 h GLN 37 N 0.11 -0.30 -0.35 0.81 4.20 -1.99 -1.22 115.11 116.35 3m01 h GLN 37 Ca 0.71 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.44 3m01 h GLN 37 Cb 2.47 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 30.30 3m01 h GLN 37 CO -0.18 -0.03 0.22 0.28 -0.67 0.00 0.00 178.83 178.46 3m01 h VAL 38 N -0.56 1.11 -0.54 -0.54 2.07 -1.56 -0.47 116.25 115.76 3m01 h VAL 38 Ca -0.03 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.35 3m01 h VAL 38 Cb 0.41 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3m01 h VAL 38 CO 0.05 0.10 0.15 0.00 0.02 0.00 0.00 177.57 177.90 3m01 h ALA 39 N 1.11 0.65 0.00 1.67 0.00 -1.27 -0.16 119.26 121.26 3m01 h ALA 39 Ca 0.13 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3m01 h ALA 39 Cb -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3m01 h ALA 39 CO -0.03 -0.26 -0.65 0.93 0.00 0.00 0.00 179.25 179.24 3m01 h GLU 40 N 0.31 0.00 -0.02 0.00 5.08 -0.95 -1.38 114.58 117.61 3m01 h GLU 40 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3m01 h GLU 40 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3m01 h GLU 40 CO -0.32 0.65 0.01 -0.22 -1.00 0.00 0.00 179.01 178.13 3m01 h LYS 41 N 0.00 0.03 -0.06 2.33 3.64 -0.09 -0.92 116.57 121.50 3m01 h LYS 41 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3m01 h LYS 41 Cb 1.20 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3m01 h LYS 41 CO 0.08 0.19 0.04 1.88 -2.27 0.00 0.00 179.45 179.37 3m01 h TYR 42 N -0.14 0.08 -0.07 1.91 -1.99 -1.01 -2.09 116.97 113.65 3m01 h TYR 42 Ca 0.01 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.78 3m01 h TYR 42 Cb 0.17 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.82 3m01 h TYR 42 CO -0.02 0.06 -0.27 0.00 -0.00 0.00 0.00 178.16 177.93 3m01 h ALA 43 N 1.01 -0.32 -0.66 3.88 0.00 -1.15 0.42 119.26 122.44 3m01 h ALA 43 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3m01 h ALA 43 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3m01 h ALA 43 CO -0.00 -0.76 0.37 -0.22 0.00 0.00 0.00 179.25 178.63 3m01 h LYS 44 N -0.38 0.66 -0.11 0.00 3.64 -1.07 -0.99 116.57 118.32 3m01 h LYS 44 Ca 0.08 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 3m01 h LYS 44 Cb 0.50 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3m01 h LYS 44 CO -0.29 0.44 -0.75 1.49 -2.27 0.00 0.00 179.45 178.07 3m01 h GLU 45 N 0.68 0.56 -0.85 1.90 4.81 -0.98 -3.10 114.58 117.60 3m01 h GLU 45 Ca 0.29 -0.46 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3m01 h GLU 45 Cb 0.17 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 3m01 h GLU 45 CO -0.18 1.08 0.54 0.82 -0.73 0.00 0.00 179.01 180.54 3m01 h ILE 46 N 0.38 1.07 -0.82 2.32 2.04 0.33 0.16 117.51 123.00 3m01 h ILE 46 Ca -0.04 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.56 3m01 h ILE 46 Cb 1.35 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3m01 h ILE 46 CO 0.14 0.18 0.48 -0.33 0.00 0.00 0.00 178.15 178.62 3m01 h GLU 47 N 1.00 0.80 0.08 2.37 4.39 -1.12 1.19 114.58 123.29 3m01 h GLU 47 Ca 0.36 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 3m01 h GLU 47 Cb 0.11 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3m01 h GLU 47 CO -0.15 0.53 -0.04 0.00 -1.16 0.00 0.00 179.01 178.19 3m01 h ALA 48 N 1.44 -0.11 -0.36 3.43 0.00 -1.09 -1.91 119.26 120.66 3m01 h ALA 48 Ca 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3m01 h ALA 48 Cb 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m01 h ALA 48 CO -0.23 -0.36 0.16 -0.07 0.00 0.00 0.00 179.25 178.75 3m01 h LEU 49 N -0.50 0.45 -0.00 0.00 3.38 -0.23 -1.37 115.31 117.04 3m01 h LEU 49 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m01 h LEU 49 Cb 0.43 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3m01 h LEU 49 CO 0.02 0.40 -0.01 0.50 0.09 0.00 0.00 178.44 179.44 3m01 h LYS 50 N 0.51 -0.02 -0.60 1.13 3.64 0.16 -0.87 116.57 120.51 3m01 h LYS 50 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3m01 h LYS 50 Cb 0.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3m01 h LYS 50 CO -0.02 -0.01 0.10 1.49 -2.27 0.00 0.00 179.45 178.74 3m01 h GLU 51 N -0.02 0.97 -0.57 1.90 4.57 -0.66 -1.39 114.58 119.38 3m01 h GLU 51 Ca 0.01 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 3m01 h GLU 51 Cb 0.03 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3m01 h GLU 51 CO -0.01 0.89 0.33 1.96 -1.18 0.00 0.00 179.01 181.00 3m01 h GLN 52 N 0.91 0.78 -0.70 1.92 4.20 -0.98 -2.33 115.11 118.92 3m01 h GLN 52 Ca 0.19 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3m01 h GLN 52 Cb 0.40 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3m01 h GLN 52 CO 0.01 0.58 0.38 1.15 -0.67 0.00 0.00 178.83 180.28 3m01 h THR 53 N 0.77 1.22 -0.79 -0.54 2.02 -0.83 -2.31 112.91 112.44 3m01 h THR 53 Ca 0.20 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.91 3m01 h THR 53 Cb 0.00 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 66.65 3m01 h THR 53 CO -0.04 0.24 0.47 -0.09 0.37 0.00 0.00 175.52 176.47 3m01 h ARG 54 N 0.96 0.80 0.00 6.66 2.43 -0.83 0.14 114.38 124.54 3m01 h ARG 54 Ca 0.25 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3m01 h ARG 54 Cb 0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3m01 h ARG 54 CO -0.04 0.53 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.84 3m01 h ASN 55 N 0.83 0.00 -0.43 -3.80 2.35 -0.91 0.04 115.58 113.66 3m01 h ASN 55 Ca 0.36 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.99 3m01 h ASN 55 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3m01 h ASN 55 CO -0.20 0.20 -0.18 0.24 -1.65 0.00 0.00 177.43 175.84 3m01 h MET 56 N 0.00 0.93 -0.13 0.81 2.86 -0.49 -2.48 114.93 116.43 3m01 h MET 56 Ca -0.00 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.16 3m01 h MET 56 Cb 0.49 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3m01 h MET 56 CO 0.03 1.02 -0.35 -0.07 1.06 0.00 0.00 176.91 178.60 3m01 h LEU 57 N 0.81 0.53 0.00 1.22 3.38 -0.80 -3.15 115.31 117.31 3m01 h LEU 57 Ca 0.12 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3m01 h LEU 57 Cb 0.73 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3m01 h LEU 57 CO 0.06 1.03 0.00 0.18 0.09 0.00 0.00 178.44 179.80 3m01 n LEU 58 N -4.35 0.00 -4.78 1.67 4.77 -0.08 -4.85 117.00 109.38 3m01 n LEU 58 Ca -0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.55 3m01 n LEU 58 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3m01 n LEU 58 CO 0.43 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.26 3m01 s ALA 59 N -2.00 2.93 0.56 -1.18 0.00 -0.94 -5.03 121.76 116.10 3m01 s ALA 59 Ca 0.07 0.76 0.08 0.00 0.00 0.00 0.00 51.96 52.87 3m01 s ALA 59 Cb 0.03 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3m01 s ALA 59 CO 0.05 -0.46 0.62 0.95 0.00 0.00 0.00 175.76 176.92 3m01 s THR 60 N -1.74 1.92 -1.24 0.00 -4.23 -1.26 -4.60 115.64 104.50 3m01 s THR 60 Ca 0.65 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3m01 s THR 60 Cb -0.23 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3m01 s THR 60 CO 0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3m01 n GLY 61 N -2.03 -0.20 3.78 3.99 0.00 -1.26 -4.94 105.19 104.53 3m01 n GLY 61 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3m01 n GLY 61 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3m01 s MET 62 N -4.73 4.03 0.76 1.61 0.00 -1.26 -5.07 119.30 114.63 3m01 s MET 62 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 55.69 55.65 3m01 s MET 62 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 34.83 31.55 3m01 s MET 62 CO 0.00 0.44 1.15 0.15 0.00 0.00 0.00 175.02 176.76 3m01 s LYS 63 N -0.13 2.08 0.08 4.11 1.02 -1.26 -4.81 119.74 120.83 3m01 s LYS 63 Ca 0.17 1.53 -0.36 0.00 0.02 0.00 0.00 55.97 57.33 3m01 s LYS 63 Cb -0.13 -1.85 -0.18 0.00 -0.52 0.00 0.00 37.83 35.15 3m01 s LYS 63 CO 0.05 -1.83 1.57 1.25 -0.92 0.00 0.00 175.35 175.48 3m01 h LEU 64 N -0.69 -1.27 -0.76 3.17 5.85 -1.98 0.48 115.31 120.11 3m01 h LEU 64 Ca -0.46 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.52 3m01 h LEU 64 Cb 1.27 0.40 -0.11 0.00 0.37 0.00 0.00 40.66 42.59 3m01 h LEU 64 CO 0.49 -0.68 0.21 0.00 -0.34 0.00 0.00 178.44 178.13 3m01 h ALA 65 N -0.90 1.02 -0.17 1.25 0.00 -1.95 0.11 119.26 118.62 3m01 h ALA 65 Ca -0.08 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3m01 h ALA 65 Cb 0.88 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3m01 h ALA 65 CO 0.01 -0.32 -0.49 -0.44 0.00 0.00 0.00 179.25 178.00 3m01 h ASP 66 N 0.30 0.51 -0.32 0.00 3.32 -1.88 -1.09 116.42 117.26 3m01 h ASP 66 Ca 0.43 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3m01 h ASP 66 Cb 0.74 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3m01 h ASP 66 CO -0.50 0.92 -0.22 0.74 -1.72 0.00 0.00 179.24 178.46 3m01 h THR 67 N 0.37 1.27 -0.31 0.35 2.02 0.85 -0.84 112.91 116.62 3m01 h THR 67 Ca 0.02 -1.33 -0.17 0.00 0.77 0.00 0.00 66.41 65.69 3m01 h THR 67 Cb 1.00 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3m01 h THR 67 CO 0.09 0.45 -0.47 -0.07 0.37 0.00 0.00 175.52 175.88 3m01 h LEU 68 N 0.70 0.95 -1.10 2.58 3.38 -0.73 -2.39 115.31 118.69 3m01 h LEU 68 Ca 0.10 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3m01 h LEU 68 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3m01 h LEU 68 CO 0.06 1.28 0.27 0.78 0.09 0.00 0.00 178.44 180.91 3m01 h ASN 69 N 0.65 0.82 -0.17 -0.43 2.35 -0.95 0.10 115.58 117.95 3m01 h ASN 69 Ca 0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3m01 h ASN 69 Cb 1.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3m01 h ASN 69 CO 0.11 0.72 0.05 0.25 -1.65 0.00 0.00 177.43 176.91 3m01 h LEU 70 N 0.89 0.25 -0.68 1.61 5.85 -1.05 0.11 115.31 122.29 3m01 h LEU 70 Ca 0.21 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3m01 h LEU 70 Cb 0.14 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3m01 h LEU 70 CO -0.02 0.40 0.16 0.40 -0.34 0.00 0.00 178.44 179.03 3m01 h ILE 71 N 0.09 1.26 -0.48 4.05 2.04 -0.99 -0.78 117.51 122.70 3m01 h ILE 71 Ca 0.05 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3m01 h ILE 71 Cb 0.24 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3m01 h ILE 71 CO -0.00 0.37 0.27 -0.78 0.00 0.00 0.00 178.15 178.00 3m01 h ASP 72 N 1.01 0.59 -0.25 1.72 3.58 -0.65 -0.66 116.42 121.77 3m01 h ASP 72 Ca 0.21 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3m01 h ASP 72 Cb 0.37 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3m01 h ASP 72 CO 0.00 0.50 0.07 0.74 -2.88 0.00 0.00 179.24 177.67 3m01 h THR 73 N 0.63 1.20 -0.47 2.25 2.02 -0.73 0.67 112.91 118.48 3m01 h THR 73 Ca 0.17 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3m01 h THR 73 Cb 0.03 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3m01 h THR 73 CO -0.03 0.21 0.26 0.40 0.37 0.00 0.00 175.52 176.72 3m01 h ILE 74 N 0.23 1.14 -0.08 3.11 2.04 -0.95 0.12 117.51 123.13 3m01 h ILE 74 Ca 0.08 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 3m01 h ILE 74 Cb 0.25 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3m01 h ILE 74 CO -0.00 0.16 -0.21 -0.33 0.00 0.00 0.00 178.15 177.77 3m01 h GLU 75 N 0.65 0.29 -0.15 2.37 5.08 -0.66 -2.61 114.58 119.55 3m01 h GLU 75 Ca 0.17 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3m01 h GLU 75 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3m01 h GLU 75 CO -0.03 0.81 -0.06 0.00 -1.00 0.00 0.00 179.01 178.73 3m01 h ARG 76 N -0.19 0.22 0.00 2.33 3.08 -0.56 -0.89 114.38 118.38 3m01 h ARG 76 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3m01 h ARG 76 Cb 0.82 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3m01 h ARG 76 CO 0.05 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.52 3m01 n LEU 77 N -4.34 0.00 -0.57 3.04 4.77 0.00 -4.26 117.00 115.64 3m01 n LEU 77 Ca -0.01 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 3m01 n LEU 77 Cb 0.21 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3m01 n LEU 77 CO 0.37 -0.12 -0.07 0.61 -1.33 0.00 0.00 177.39 176.85 3m01 n GLY 78 N 0.28 0.95 0.41 -0.72 0.00 -0.34 -4.80 105.19 100.96 3m01 n GLY 78 Ca 0.08 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.49 3m01 n GLY 78 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m01 n ILE 79 N -2.77 0.34 0.30 -0.61 -5.35 -1.01 -4.61 119.36 105.65 3m01 n ILE 79 Ca -0.07 -0.67 0.19 0.00 -0.27 0.00 0.00 62.75 61.93 3m01 n ILE 79 Cb 0.25 0.95 0.98 0.00 -1.74 0.00 0.00 39.64 40.08 3m01 n ILE 79 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3m01 h SER 80 N 1.70 0.00 0.14 7.28 4.64 -1.78 -2.26 113.55 123.27 3m01 h SER 80 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m01 h SER 80 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3m01 h SER 80 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3m01 n TYR 81 N -2.89 0.00 0.90 4.77 4.11 -1.26 -0.81 117.16 121.97 3m01 n TYR 81 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.00 3m01 n TYR 81 Cb 0.12 -0.26 0.10 0.00 -0.00 0.00 0.00 39.34 39.30 3m01 n TYR 81 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 3m01 n HIS 82 N -1.26 0.07 -2.60 -3.48 8.25 -0.85 -4.39 115.22 110.96 3m01 n HIS 82 Ca 0.04 0.02 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 3m01 n HIS 82 Cb 0.06 -0.23 0.04 0.00 1.12 0.00 0.00 29.99 30.98 3m01 n HIS 82 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m01 n PHE 83 N -1.62 1.70 -0.24 4.41 3.72 0.01 -4.88 117.46 120.57 3m01 n PHE 83 Ca 0.04 -2.24 0.08 0.00 -0.05 0.00 0.00 57.45 55.29 3m01 n PHE 83 Cb 0.36 -0.27 0.34 0.00 -0.94 0.00 0.00 39.48 38.98 3m01 n PHE 83 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3m01 h GLU 84 N 2.53 0.76 0.01 -1.08 5.08 -1.75 -0.37 114.58 119.76 3m01 h GLU 84 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3m01 h GLU 84 Cb 1.32 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3m01 h GLU 84 CO 0.37 0.50 -0.09 0.87 -1.00 0.00 0.00 179.01 179.67 3m01 h LYS 85 N 0.78 0.04 -0.23 2.33 6.56 -1.92 -2.44 116.57 121.70 3m01 h LYS 85 Ca 0.38 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.92 3m01 h LYS 85 Cb 0.43 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 3m01 h LYS 85 CO -0.15 0.93 0.12 0.93 -2.06 0.00 0.00 179.45 179.23 3m01 h GLU 86 N -0.82 0.25 -0.73 3.15 3.07 -1.89 -0.91 114.58 116.70 3m01 h GLU 86 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3m01 h GLU 86 Cb 0.97 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.78 3m01 h GLU 86 CO 0.02 0.17 0.48 0.82 -1.40 0.00 0.00 179.01 179.09 3m01 h ILE 87 N 0.26 1.19 0.43 3.13 2.04 -1.19 -2.34 117.51 121.03 3m01 h ILE 87 Ca 0.09 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3m01 h ILE 87 Cb 0.01 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3m01 h ILE 87 CO -0.05 0.19 -0.24 -0.78 0.00 0.00 0.00 178.15 177.27 3m01 h ASP 88 N 1.00 -0.60 -0.84 1.72 3.58 -0.95 -1.20 116.42 119.12 3m01 h ASP 88 Ca 0.27 0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.90 3m01 h ASP 88 Cb -0.10 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.03 3m01 h ASP 88 CO -0.06 -0.40 0.42 0.44 -2.88 0.00 0.00 179.24 176.77 3m01 h ASP 89 N -0.63 0.50 0.15 2.28 3.32 -1.02 0.82 116.42 121.84 3m01 h ASP 89 Ca -0.05 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3m01 h ASP 89 Cb 0.51 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3m01 h ASP 89 CO 0.06 0.21 -0.07 0.40 -1.72 0.00 0.00 179.24 178.12 3m01 h ILE 90 N 0.60 0.96 -0.45 0.35 2.04 -1.12 -2.03 117.51 117.86 3m01 h ILE 90 Ca 0.46 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3m01 h ILE 90 Cb 0.65 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3m01 h ILE 90 CO -0.36 0.11 0.18 -0.07 0.00 0.00 0.00 178.15 178.01 3m01 h LEU 91 N -0.43 0.57 0.35 1.44 3.38 -0.75 -1.71 115.31 118.16 3m01 h LEU 91 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m01 h LEU 91 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3m01 h LEU 91 CO 0.03 0.52 -0.23 -0.78 0.09 0.00 0.00 178.44 178.07 3m01 h ASP 92 N 0.63 -0.58 -0.30 -0.43 1.82 -0.67 0.14 116.42 117.02 3m01 h ASP 92 Ca 0.16 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 3m01 h ASP 92 Cb 0.12 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 3m01 h ASP 92 CO -0.02 -0.36 0.16 1.56 -1.61 0.00 0.00 179.24 178.97 3m01 h GLN 93 N -0.56 0.47 -0.34 0.28 1.08 -1.05 -0.57 115.11 114.41 3m01 h GLN 93 Ca -0.03 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 3m01 h GLN 93 Cb 0.47 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3m01 h GLN 93 CO 0.02 0.37 -0.22 0.82 -0.95 0.00 0.00 178.83 178.88 3m01 h ILE 94 N 0.47 1.27 -0.26 2.54 2.04 -0.72 -1.46 117.51 121.40 3m01 h ILE 94 Ca 0.12 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 3m01 h ILE 94 Cb 0.06 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3m01 h ILE 94 CO -0.02 0.42 -0.06 0.22 0.00 0.00 0.00 178.15 178.71 3m01 h TYR 95 N 0.58 0.57 0.00 1.37 3.20 0.39 -3.19 116.97 119.89 3m01 h TYR 95 Ca 0.08 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3m01 h TYR 95 Cb 0.69 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3m01 h TYR 95 CO 0.03 0.72 -0.04 -0.91 -1.64 0.00 0.00 178.16 176.32 3m01 h ASN 96 N 0.25 0.00 0.15 -2.11 2.35 -0.97 -3.10 115.58 112.14 3m01 h ASN 96 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3m01 h ASN 96 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3m01 h ASN 96 CO 0.03 0.04 -0.21 0.00 -1.65 0.00 0.00 177.43 175.64 3m01 n GLN 97 N -3.14 1.12 -2.32 0.81 10.64 -0.56 -4.93 117.38 118.99 3m01 n GLN 97 Ca 0.01 -0.70 -0.04 0.00 -1.83 0.00 0.00 57.00 54.45 3m01 n GLN 97 Cb 0.38 -1.49 -0.01 0.00 -0.86 0.00 0.00 30.24 28.26 3m01 n GLN 97 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3m01 n ASN 98 N -0.33 -0.88 -4.64 2.61 3.02 -1.17 -4.84 115.26 109.03 3m01 n ASN 98 Ca 0.14 0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 3m01 n ASN 98 Cb 0.37 -0.87 0.06 0.00 -0.61 0.00 0.00 39.78 38.74 3m01 n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3m01 n SER 99 N -1.29 0.93 -3.88 6.41 3.41 -1.26 -4.99 113.62 112.95 3m01 n SER 99 Ca 0.01 0.78 -0.30 0.00 -0.26 0.00 0.00 58.87 59.09 3m01 n SER 99 Cb 0.40 -1.42 -0.15 0.00 -0.26 0.00 0.00 64.21 62.78 3m01 n SER 99 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3m01 s ASN 100 N -1.36 4.38 -0.27 4.04 -0.87 -1.26 -5.08 114.94 114.52 3m01 s ASN 100 Ca 0.77 -2.05 -0.27 0.00 -1.57 0.00 0.00 52.86 49.74 3m01 s ASN 100 Cb -0.39 -1.30 0.01 0.00 -0.02 0.00 0.00 41.25 39.55 3m01 s ASN 100 CO 0.46 -0.38 0.98 0.00 -2.57 0.00 0.00 177.10 175.59 3m01 n ASN 102 N 6.43 0.89 -3.95 0.00 4.13 -1.26 -4.52 115.26 116.98 3m01 n ASN 102 Ca 0.10 -0.85 -0.16 0.00 1.68 0.00 0.00 54.58 55.35 3m01 n ASN 102 Cb 0.47 -0.21 -0.14 0.00 -1.54 0.00 0.00 39.78 38.35 3m01 n ASN 102 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3m01 s ASP 103 N 0.28 0.57 0.11 6.41 -4.77 -1.26 -5.06 116.67 112.95 3m01 s ASP 103 Ca 0.00 -0.09 -0.21 0.00 -3.30 0.00 0.00 52.55 48.95 3m01 s ASP 103 Cb 0.00 -0.08 -0.05 0.00 -1.09 0.00 0.00 42.92 41.70 3m01 s ASP 103 CO 0.00 0.05 1.30 -0.11 0.70 0.00 0.00 175.17 177.11 3m01 n LEU 104 N 3.03 -0.73 -0.36 2.11 7.94 -1.26 -1.78 117.00 125.95 3m01 n LEU 104 Ca -0.14 1.46 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 3m01 n LEU 104 Cb 0.58 -0.28 -0.07 0.00 0.53 0.00 0.00 43.42 44.18 3m01 n LEU 104 CO 0.25 -1.12 0.51 0.00 -1.11 0.00 0.00 177.39 175.92 3m01 h THR 106 N -0.07 1.33 0.08 0.00 2.02 -1.83 -2.16 112.91 112.29 3m01 h THR 106 Ca 0.19 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.65 3m01 h THR 106 Cb 0.48 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3m01 h THR 106 CO -0.89 0.52 -0.04 0.28 0.37 0.00 0.00 175.52 175.76 3m01 h SER 107 N 0.27 -0.09 -0.71 4.18 0.02 -0.43 0.47 113.55 117.26 3m01 h SER 107 Ca 0.01 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3m01 h SER 107 Cb 0.96 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 3m01 h SER 107 CO 0.08 0.24 0.45 0.00 -1.14 0.00 0.00 176.83 176.46 3m01 h ALA 108 N 0.45 0.93 -0.45 3.77 0.00 -0.47 0.39 119.26 123.87 3m01 h ALA 108 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3m01 h ALA 108 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m01 h ALA 108 CO 0.02 0.24 0.05 1.25 0.00 0.00 0.00 179.25 180.81 3m01 h LEU 109 N 0.89 0.75 -0.70 0.00 5.85 -1.34 -0.41 115.31 120.35 3m01 h LEU 109 Ca 0.28 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3m01 h LEU 109 Cb -0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3m01 h LEU 109 CO -0.10 0.84 0.37 -0.61 -0.34 0.00 0.00 178.44 178.59 3m01 h GLN 110 N 0.63 0.99 0.54 1.25 4.15 -0.29 -1.30 115.11 121.08 3m01 h GLN 110 Ca 0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3m01 h GLN 110 Cb 0.43 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3m01 h GLN 110 CO 0.01 0.75 -0.31 0.35 -1.93 0.00 0.00 178.83 177.70 3m01 h PHE 111 N 0.96 -0.82 0.28 3.99 3.57 0.14 -2.40 116.94 122.67 3m01 h PHE 111 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3m01 h PHE 111 Cb 0.07 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3m01 h PHE 111 CO -0.00 -0.48 -0.26 -0.09 -2.23 0.00 0.00 178.31 175.25 3m01 h ARG 112 N -0.80 -0.54 -0.59 1.11 2.43 -0.94 -1.48 114.38 113.58 3m01 h ARG 112 Ca -0.07 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3m01 h ARG 112 Cb 0.64 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.23 3m01 h ARG 112 CO 0.08 -0.36 0.14 -0.07 -1.51 0.00 0.00 179.97 178.25 3m01 h LEU 113 N -0.56 0.04 -0.06 3.80 3.38 -1.27 -0.42 115.31 120.22 3m01 h LEU 113 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3m01 h LEU 113 Cb 0.51 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3m01 h LEU 113 CO -0.04 0.03 0.03 -0.07 0.09 0.00 0.00 178.44 178.48 3m01 h LEU 114 N 0.28 0.08 -1.13 1.67 3.38 -1.27 -2.62 115.31 115.70 3m01 h LEU 114 Ca 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3m01 h LEU 114 Cb 0.44 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3m01 h LEU 114 CO -0.38 0.18 0.32 0.03 0.09 0.00 0.00 178.44 178.68 3m01 h ARG 115 N -0.02 0.93 0.00 1.13 2.47 -0.70 -0.86 114.38 117.32 3m01 h ARG 115 Ca 0.02 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3m01 h ARG 115 Cb 0.12 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3m01 h ARG 115 CO -0.00 0.71 0.00 1.96 0.56 0.00 0.00 179.97 183.20 3m01 h GLN 116 N 0.93 0.00 -0.48 0.04 4.20 -0.97 -1.98 115.11 116.84 3m01 h GLN 116 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3m01 h GLN 116 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3m01 h GLN 116 CO -0.03 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.85 3m01 n HIS 117 N -2.62 0.63 0.00 2.96 8.25 -0.45 -4.97 115.22 119.02 3m01 n HIS 117 Ca 0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3m01 n HIS 117 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3m01 n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m01 n GLY 118 N 1.47 1.52 3.63 -1.41 0.00 -0.75 -4.89 105.19 104.78 3m01 n GLY 118 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3m01 n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m01 s PHE 119 N -2.34 2.56 -1.37 1.61 0.08 -0.50 -1.18 117.98 116.85 3m01 s PHE 119 Ca 0.00 0.80 -0.08 0.00 0.12 0.00 0.00 56.93 57.76 3m01 s PHE 119 Cb 0.00 -3.91 -0.08 0.00 -0.57 0.00 0.00 43.02 38.47 3m01 s PHE 119 CO 0.00 -2.00 2.67 -1.71 -0.10 0.00 0.00 175.22 174.08 3m01 n ASN 120 N 7.76 7.42 -4.76 1.36 5.15 -1.26 -3.54 115.26 127.39 3m01 n ASN 120 Ca 0.16 -2.48 -0.39 0.00 -0.60 0.00 0.00 54.58 51.27 3m01 n ASN 120 Cb 0.46 -1.40 0.02 0.00 -0.53 0.00 0.00 39.78 38.33 3m01 n ASN 120 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3m01 s ILE 121 N 2.59 2.38 0.29 -1.44 2.07 -1.26 -4.95 121.20 120.88 3m01 s ILE 121 Ca 0.59 0.31 -0.29 0.00 -1.41 0.00 0.00 60.65 59.85 3m01 s ILE 121 Cb 0.15 -3.17 -0.10 0.00 0.13 0.00 0.00 42.46 39.48 3m01 s ILE 121 CO -0.05 0.02 1.16 -0.55 -1.91 0.00 0.00 174.94 173.61 3m01 s SER 122 N -0.87 7.13 0.00 4.50 0.15 -1.26 -4.92 113.70 118.43 3m01 s SER 122 Ca 0.64 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.89 3m01 s SER 122 Cb -0.39 -2.63 1.28 0.00 -1.71 0.00 0.00 66.02 62.57 3m01 s SER 122 CO 0.48 -0.25 1.79 -0.81 1.20 0.00 0.00 173.24 175.64 3m01 n PRO 123 N 1.11 0.94 0.07 5.44 -0.04 -1.26 -3.29 135.00 137.97 3m01 n PRO 123 Ca -0.01 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 3m01 n PRO 123 Cb 0.44 -1.35 0.41 0.00 -0.04 0.00 0.00 33.50 32.95 3m01 n PRO 123 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3m01 n GLU 124 N -0.85 0.11 0.15 0.54 4.07 -1.26 -2.12 120.64 121.27 3m01 n GLU 124 Ca 0.16 0.36 0.12 0.00 -0.06 0.00 0.00 57.16 57.74 3m01 n GLU 124 Cb 0.07 -1.71 0.53 0.00 -0.06 0.00 0.00 31.44 30.28 3m01 n GLU 124 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 3m01 n ILE 125 N -1.91 0.88 1.15 6.31 3.06 -1.21 -2.11 119.36 125.53 3m01 n ILE 125 Ca 0.03 0.38 0.12 0.00 -2.50 0.00 0.00 62.75 60.78 3m01 n ILE 125 Cb 0.19 -1.34 0.22 0.00 0.54 0.00 0.00 39.64 39.25 3m01 n ILE 125 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3m01 n PHE 126 N -2.28 0.00 -0.17 9.51 3.72 -0.90 -4.40 117.46 122.94 3m01 n PHE 126 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 3m01 n PHE 126 Cb 0.17 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3m01 n PHE 126 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3m01 h SER 127 N 2.18 0.91 -0.12 4.37 0.02 -1.62 -2.71 113.55 116.59 3m01 h SER 127 Ca 0.00 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3m01 h SER 127 Cb 0.66 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3m01 h SER 127 CO 0.00 1.03 0.17 0.07 -1.14 0.00 0.00 176.83 176.96 3m01 h LYS 128 N 0.78 0.00 -0.02 3.45 2.10 -1.78 0.35 116.57 121.45 3m01 h LYS 128 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3m01 h LYS 128 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3m01 h LYS 128 CO 0.04 0.00 -0.06 1.19 -2.00 0.00 0.00 179.45 178.61 3m01 n PHE 129 N -3.64 0.00 -4.27 0.07 3.72 -1.03 -4.90 117.46 107.41 3m01 n PHE 129 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 3m01 n PHE 129 Cb 0.27 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 3m01 n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3m01 s GLN 130 N -2.11 2.24 0.93 -1.08 -0.21 0.12 -1.75 119.66 117.81 3m01 s GLN 130 Ca 0.33 -1.27 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 3m01 s GLN 130 Cb 0.20 -2.22 0.17 0.00 1.00 0.00 0.00 33.01 32.17 3m01 s GLN 130 CO 0.37 0.42 1.28 0.16 -2.12 0.00 0.00 175.29 175.40 3m01 s ASP 131 N -3.15 3.40 0.63 5.90 1.47 0.51 -4.83 116.67 120.59 3m01 s ASP 131 Ca 0.28 0.42 0.38 0.00 1.18 0.00 0.00 52.55 54.81 3m01 s ASP 131 Cb -0.08 -0.59 2.12 0.00 -0.34 0.00 0.00 42.92 44.03 3m01 s ASP 131 CO 0.18 -2.57 2.31 1.05 0.68 0.00 0.00 175.17 176.81 3m01 h GLU 132 N -1.53 0.00 0.00 2.11 9.09 -1.94 0.63 114.58 122.95 3m01 h GLU 132 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3m01 h GLU 132 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3m01 h GLU 132 CO 0.45 0.01 0.00 -1.71 0.05 0.00 0.00 179.01 177.81 3m01 n ASN 133 N -3.42 0.00 0.00 3.06 5.15 -1.26 -4.90 115.26 113.89 3m01 n ASN 133 Ca -0.03 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 3m01 n ASN 133 Cb 0.09 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 3m01 n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m01 n GLY 134 N 0.99 0.48 3.18 8.20 0.00 0.21 -5.06 105.19 113.19 3m01 n GLY 134 Ca 0.12 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 3m01 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m01 s LYS 135 N -3.09 1.29 0.18 1.61 1.02 -1.25 -4.88 119.74 114.60 3m01 s LYS 135 Ca 0.00 -0.74 -0.33 0.00 0.02 0.00 0.00 55.97 54.92 3m01 s LYS 135 Cb 0.00 -1.30 -0.14 0.00 -0.52 0.00 0.00 37.83 35.87 3m01 s LYS 135 CO 0.00 0.34 1.50 1.19 -0.92 0.00 0.00 175.35 177.47 3m01 n PHE 136 N 2.26 2.17 -1.63 3.18 3.72 -1.26 -0.37 117.46 125.53 3m01 n PHE 136 Ca -0.16 0.35 -0.43 0.00 -0.05 0.00 0.00 57.45 57.16 3m01 n PHE 136 Cb 0.54 -2.50 -0.03 0.00 -0.94 0.00 0.00 39.48 36.55 3m01 n PHE 136 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3m01 n LYS 137 N 2.94 2.46 0.24 -1.08 5.02 -0.71 -4.80 118.16 122.21 3m01 n LYS 137 Ca 0.16 0.82 0.12 0.00 -2.02 0.00 0.00 58.31 57.38 3m01 n LYS 137 Cb 0.29 -3.12 0.63 0.00 -0.02 0.00 0.00 35.03 32.80 3m01 n LYS 137 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3m01 h GLU 138 N 12.67 0.00 0.00 1.97 4.39 -1.92 0.75 114.58 132.44 3m01 h GLU 138 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3m01 h GLU 138 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3m01 h GLU 138 CO 0.95 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 179.46 3m01 h SER 139 N 0.00 0.00 1.01 1.42 4.64 -1.98 -2.08 113.55 116.57 3m01 h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m01 h SER 139 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3m01 h SER 139 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3m01 n LEU 140 N -2.64 0.10 0.00 5.97 4.77 0.26 -4.00 117.00 121.46 3m01 n LEU 140 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3m01 n LEU 140 Cb 0.19 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3m01 n LEU 140 CO 0.20 -0.05 0.46 0.00 -1.33 0.00 0.00 177.39 176.67 3m01 n ALA 141 N -1.54 0.88 -0.94 -1.18 0.00 -0.78 -1.19 120.51 115.77 3m01 n ALA 141 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3m01 n ALA 141 Cb 0.33 -0.83 0.25 0.00 0.00 0.00 0.00 19.45 19.21 3m01 n ALA 141 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3m01 n SER 142 N -1.35 3.78 -3.71 0.00 3.41 -1.26 -4.74 113.62 109.75 3m01 n SER 142 Ca 0.00 -2.94 -0.29 0.00 -0.26 0.00 0.00 58.87 55.38 3m01 n SER 142 Cb 0.07 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.41 3m01 n SER 142 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3m01 n ASP 143 N -0.46 3.63 -0.23 4.04 2.03 -0.33 -4.97 116.55 120.27 3m01 n ASP 143 Ca 0.20 -3.32 0.01 0.00 0.52 0.00 0.00 54.79 52.20 3m01 n ASP 143 Cb 0.85 -0.77 0.09 0.00 -0.72 0.00 0.00 41.12 40.57 3m01 n ASP 143 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3m01 h VAL 144 N 3.77 0.34 -0.94 5.18 2.07 -1.85 0.16 116.25 124.98 3m01 h VAL 144 Ca 0.18 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3m01 h VAL 144 Cb 0.71 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3m01 h VAL 144 CO 0.81 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.95 3m01 h LEU 145 N 0.02 1.08 -0.33 2.57 3.38 -1.98 0.38 115.31 120.45 3m01 h LEU 145 Ca 0.34 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3m01 h LEU 145 Cb 0.54 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3m01 h LEU 145 CO -0.68 0.79 0.19 1.23 0.09 0.00 0.00 178.44 180.06 3m01 h GLY 146 N 1.27 0.48 1.02 0.83 0.00 -1.42 -2.09 103.07 103.16 3m01 h GLY 146 Ca 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3m01 h GLY 146 CO -0.07 0.20 0.43 1.41 0.00 0.00 0.00 176.54 178.51 3m01 h LEU 147 N 0.41 1.00 0.06 3.11 3.38 -0.55 -0.86 115.31 121.87 3m01 h LEU 147 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m01 h LEU 147 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3m01 h LEU 147 CO -0.02 0.82 -0.05 0.25 0.09 0.00 0.00 178.44 179.53 3m01 h LEU 148 N 1.10 -0.12 -1.27 1.67 5.85 -0.61 0.21 115.31 122.15 3m01 h LEU 148 Ca 0.28 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3m01 h LEU 148 Cb 0.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3m01 h LEU 148 CO -0.04 -0.08 -0.31 0.78 -0.34 0.00 0.00 178.44 178.45 3m01 h ASN 149 N -0.12 0.00 -0.30 1.25 4.21 -1.24 -1.16 115.58 118.22 3m01 h ASN 149 Ca -0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 3m01 h ASN 149 Cb 0.11 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3m01 h ASN 149 CO -0.00 0.31 -0.50 0.25 -1.29 0.00 0.00 177.43 176.19 3m01 h LEU 150 N 0.00 0.97 0.08 1.61 5.85 -0.69 -1.07 115.31 122.05 3m01 h LEU 150 Ca -0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3m01 h LEU 150 Cb 0.69 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3m01 h LEU 150 CO 0.04 1.30 -0.08 0.22 -0.34 0.00 0.00 178.44 179.58 3m01 h TYR 151 N 0.67 -0.22 -0.46 1.25 5.03 0.02 0.18 116.97 123.44 3m01 h TYR 151 Ca 0.02 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3m01 h TYR 151 Cb 1.11 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 3m01 h TYR 151 CO 0.07 -0.13 0.13 0.93 -1.32 0.00 0.00 178.16 177.84 3m01 h GLU 152 N -0.18 0.67 -0.24 1.82 4.39 -1.20 -2.51 114.58 117.33 3m01 h GLU 152 Ca 0.01 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 3m01 h GLU 152 Cb 0.18 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3m01 h GLU 152 CO -0.03 0.60 -0.40 0.00 -1.16 0.00 0.00 179.01 178.02 3m01 h ALA 153 N 1.49 0.86 -0.01 3.43 0.00 -0.55 -2.99 119.26 121.50 3m01 h ALA 153 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3m01 h ALA 153 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m01 h ALA 153 CO -0.01 0.64 0.08 0.66 0.00 0.00 0.00 179.25 180.62 3m01 h SER 154 N 0.46 0.00 0.74 0.00 4.64 -0.20 -1.15 113.55 118.04 3m01 h SER 154 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3m01 h SER 154 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3m01 h SER 154 CO 0.08 0.00 -0.25 1.41 -0.87 0.00 0.00 176.83 177.20 3m01 n HIS 155 N -3.09 0.00 -0.85 4.77 -0.00 -1.13 -3.68 115.22 111.24 3m01 n HIS 155 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.77 3m01 n HIS 155 Cb 0.14 -0.37 0.35 0.00 -0.00 0.00 0.00 29.99 30.12 3m01 n HIS 155 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 3m01 n VAL 156 N -1.49 2.42 -1.74 1.59 0.24 -0.44 -4.97 118.33 113.94 3m01 n VAL 156 Ca 0.06 -1.48 -0.31 0.00 -2.04 0.00 0.00 64.34 60.57 3m01 n VAL 156 Cb 0.34 -0.17 0.03 0.00 -1.47 0.00 0.00 33.84 32.57 3m01 n VAL 156 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m01 s ARG 157 N -2.56 3.14 0.33 7.34 1.70 -1.24 -4.91 118.95 122.76 3m01 s ARG 157 Ca 0.50 0.98 0.02 0.00 -0.47 0.00 0.00 55.73 56.76 3m01 s ARG 157 Cb 0.37 -2.02 0.02 0.00 -0.57 0.00 0.00 34.95 32.76 3m01 s ARG 157 CO 0.16 -0.94 0.16 0.25 -1.08 0.00 0.00 175.30 173.85 3m01 n THR 158 N -2.80 0.00 0.33 4.99 -2.24 -1.26 -4.40 114.28 108.90 3m01 n THR 158 Ca 0.08 -1.41 0.14 0.00 -2.27 0.00 0.00 64.05 60.58 3m01 n THR 158 Cb 0.53 -0.03 0.60 0.00 -2.10 0.00 0.00 70.33 69.34 3m01 n THR 158 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3m01 h HIS 159 N 0.80 0.00 -0.17 4.78 -0.00 -1.96 -2.46 115.15 116.14 3m01 h HIS 159 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 3m01 h HIS 159 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3m01 h HIS 159 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 3m01 n ALA 160 N -1.88 2.50 -2.56 2.45 0.00 -1.26 -4.48 120.51 115.29 3m01 n ALA 160 Ca 0.01 -0.62 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 3m01 n ALA 160 Cb 0.22 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.64 3m01 n ALA 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m01 n ASP 161 N 0.64 6.31 0.05 0.00 8.00 -0.93 -4.72 116.55 125.90 3m01 n ASP 161 Ca 0.17 -3.72 0.09 0.00 0.71 0.00 0.00 54.79 52.04 3m01 n ASP 161 Cb 0.42 -0.90 0.38 0.00 -0.02 0.00 0.00 41.12 41.00 3m01 n ASP 161 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m01 n ASP 162 N -0.26 0.25 0.19 -2.24 9.92 -1.26 -1.81 116.55 121.34 3m01 n ASP 162 Ca 0.43 0.56 0.04 0.00 -0.53 0.00 0.00 54.79 55.30 3m01 n ASP 162 Cb 0.34 -0.61 0.47 0.00 -0.64 0.00 0.00 41.12 40.67 3m01 n ASP 162 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3m01 h ILE 163 N 0.00 1.15 -0.55 0.53 6.09 -1.92 -1.42 117.51 121.38 3m01 h ILE 163 Ca 0.00 -0.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 3m01 h ILE 163 Cb 0.30 1.30 0.00 0.00 0.47 0.00 0.00 36.82 38.89 3m01 h ILE 163 CO 0.00 0.20 0.00 0.18 -3.07 0.00 0.00 178.15 175.46 3m01 n LEU 164 N -4.31 4.21 0.12 2.19 4.77 -0.75 -4.52 117.00 118.73 3m01 n LEU 164 Ca -0.02 -2.13 0.18 0.00 -0.03 0.00 0.00 56.01 54.02 3m01 n LEU 164 Cb 0.25 -0.54 0.76 0.00 -2.33 0.00 0.00 43.42 41.56 3m01 n LEU 164 CO 0.37 0.69 1.16 -0.08 -1.33 0.00 0.00 177.39 178.21 3m01 h GLU 165 N 3.50 0.00 -0.00 3.23 4.57 -1.34 -2.44 114.58 122.10 3m01 h GLU 165 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3m01 h GLU 165 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3m01 h GLU 165 CO 0.22 0.00 -0.29 -0.25 -1.18 0.00 0.00 179.01 177.51 3m01 n ASP 166 N -3.94 0.84 -0.18 1.04 10.43 -1.26 -4.71 116.55 118.77 3m01 n ASP 166 Ca 0.05 -0.92 -0.03 0.00 2.57 0.00 0.00 54.79 56.46 3m01 n ASP 166 Cb 0.47 0.70 0.03 0.00 1.84 0.00 0.00 41.12 44.16 3m01 n ASP 166 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3m01 h ALA 167 N 1.45 0.19 -0.00 2.24 0.00 -1.73 -0.48 119.26 120.93 3m01 h ALA 167 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3m01 h ALA 167 Cb 0.27 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3m01 h ALA 167 CO 0.00 -0.54 -0.27 1.25 0.00 0.00 0.00 179.25 179.69 3m01 h LEU 168 N -0.09 -0.81 -0.64 0.00 5.85 -1.84 0.25 115.31 118.03 3m01 h LEU 168 Ca 0.25 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 3m01 h LEU 168 Cb 0.49 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3m01 h LEU 168 CO -0.61 -0.34 0.19 0.00 -0.34 0.00 0.00 178.44 177.34 3m01 h ALA 169 N 0.39 0.83 0.86 1.25 0.00 -1.81 0.10 119.26 120.88 3m01 h ALA 169 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3m01 h ALA 169 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m01 h ALA 169 CO -0.24 0.51 -0.46 0.35 0.00 0.00 0.00 179.25 179.41 3m01 h PHE 170 N 0.92 -1.22 -0.82 0.00 3.57 -0.73 -0.64 116.94 118.03 3m01 h PHE 170 Ca 0.20 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3m01 h PHE 170 Cb 0.31 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3m01 h PHE 170 CO 0.02 -0.72 0.42 0.66 -2.23 0.00 0.00 178.31 176.46 3m01 h SER 171 N -1.22 1.04 -0.06 0.41 4.64 -0.52 -2.94 113.55 114.89 3m01 h SER 171 Ca -0.12 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3m01 h SER 171 Cb 0.95 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3m01 h SER 171 CO 0.16 0.86 -0.01 0.74 -0.87 0.00 0.00 176.83 177.71 3m01 h THR 172 N 1.16 0.94 -0.81 2.95 2.02 -0.65 -0.64 112.91 117.87 3m01 h THR 172 Ca 0.29 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 3m01 h THR 172 Cb 0.07 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3m01 h THR 172 CO -0.04 0.00 0.46 -0.29 0.37 0.00 0.00 175.52 176.02 3m01 h ILE 173 N 0.00 1.24 -0.01 3.11 2.10 -0.96 -1.73 117.51 121.25 3m01 h ILE 173 Ca 0.03 -0.57 -0.20 0.00 1.08 0.00 0.00 64.86 65.21 3m01 h ILE 173 Cb 0.04 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 35.90 3m01 h ILE 173 CO -0.06 0.26 -0.86 0.45 -1.08 0.00 0.00 178.15 176.86 3m01 h HIS 174 N 1.12 0.40 -0.09 2.19 3.86 -1.40 -2.53 115.15 118.70 3m01 h HIS 174 Ca 0.29 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3m01 h HIS 174 Cb 0.01 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 3m01 h HIS 174 CO 0.00 1.01 0.03 -0.07 0.86 0.00 0.00 177.93 179.76 3m01 h LEU 175 N 0.16 0.13 -0.88 2.43 3.38 -0.91 0.71 115.31 120.34 3m01 h LEU 175 Ca -0.05 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.85 3m01 h LEU 175 Cb 1.48 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 3m01 h LEU 175 CO 0.14 0.29 0.50 -0.33 0.09 0.00 0.00 178.44 179.13 3m01 h GLU 176 N -0.03 0.76 -0.41 1.13 5.08 -1.33 0.20 114.58 119.98 3m01 h GLU 176 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3m01 h GLU 176 Cb 0.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3m01 h GLU 176 CO -0.00 0.50 0.21 1.03 -1.00 0.00 0.00 179.01 179.75 3m01 h SER 177 N 0.79 0.52 1.22 1.42 0.87 -0.92 -3.22 113.55 114.23 3m01 h SER 177 Ca 0.45 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 3m01 h SER 177 Cb 0.50 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3m01 h SER 177 CO -0.29 0.48 -0.81 0.00 -0.53 0.00 0.00 176.83 175.68 3m01 h ALA 178 N 1.06 0.68 -0.95 6.23 0.00 -0.08 -3.41 119.26 122.79 3m01 h ALA 178 Ca 0.14 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3m01 h ALA 178 Cb 0.09 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 3m01 h ALA 178 CO -0.02 0.46 -0.52 0.00 0.00 0.00 0.00 179.25 179.17 3m01 h ALA 179 N 1.68 -0.34 -0.72 0.00 0.00 -0.64 -2.28 119.26 116.97 3m01 h ALA 179 Ca -0.05 0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.23 3m01 h ALA 179 Cb 1.29 1.24 -0.03 0.00 0.00 0.00 0.00 17.79 20.29 3m01 h ALA 179 CO 0.03 -0.86 0.65 -1.35 0.00 0.00 0.00 179.25 177.72 3m01 h PRO 180 N -0.03 0.00 -0.43 0.00 0.11 -1.79 -2.05 132.00 127.81 3m01 h PRO 180 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3m01 h PRO 180 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3m01 h PRO 180 CO -0.93 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.58 3m01 n HIS 181 N -3.85 0.68 -2.85 0.65 8.25 -0.86 -4.99 115.22 112.24 3m01 n HIS 181 Ca 0.15 -0.54 -0.30 0.00 -0.26 0.00 0.00 57.72 56.76 3m01 n HIS 181 Cb 0.91 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.93 3m01 n HIS 181 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m01 s LEU 182 N -1.23 3.84 0.95 2.41 1.43 -0.77 -5.07 118.68 120.24 3m01 s LEU 182 Ca 0.32 1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 54.43 3m01 s LEU 182 Cb 0.18 -4.04 0.17 0.00 0.03 0.00 0.00 46.19 42.53 3m01 s LEU 182 CO 0.19 -0.40 1.20 -1.59 0.23 0.00 0.00 176.35 175.98 3m01 s LYS 183 N -3.80 0.76 0.09 1.70 -2.85 -1.26 -4.54 119.74 109.84 3m01 s LYS 183 Ca 0.52 -0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.50 3m01 s LYS 183 Cb -0.10 -1.82 -0.04 0.00 -2.06 0.00 0.00 37.83 33.80 3m01 s LYS 183 CO 0.30 -2.39 0.12 -1.12 0.10 0.00 0.00 175.35 172.36 3m01 s SER 184 N -4.38 5.71 0.00 0.03 0.01 -1.26 -0.31 113.70 113.51 3m01 s SER 184 Ca 0.68 0.04 0.30 0.00 1.31 0.00 0.00 55.95 58.28 3m01 s SER 184 Cb -0.10 -1.58 1.61 0.00 0.21 0.00 0.00 66.02 66.16 3m01 s SER 184 CO 0.53 0.16 2.06 -0.81 0.41 0.00 0.00 173.24 175.59 3m01 n PRO 185 N 0.30 1.21 -0.24 12.44 -0.04 -1.26 -4.90 135.00 142.51 3m01 n PRO 185 Ca -0.08 -0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.12 3m01 n PRO 185 Cb 0.52 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 3m01 n PRO 185 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3m01 h LEU 186 N 0.75 0.07 -0.34 1.53 5.85 -1.90 0.17 115.31 121.44 3m01 h LEU 186 Ca 0.00 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3m01 h LEU 186 Cb 0.16 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3m01 h LEU 186 CO 0.00 -0.00 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.98 3m01 h ARG 187 N 0.30 0.06 -0.67 1.25 2.43 -0.90 0.27 114.38 117.13 3m01 h ARG 187 Ca 0.40 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3m01 h ARG 187 Cb 0.67 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3m01 h ARG 187 CO -0.48 0.04 0.21 0.93 -1.51 0.00 0.00 179.97 179.17 3m01 h GLU 188 N 0.06 1.02 -0.22 0.20 3.07 -1.33 -0.53 114.58 116.85 3m01 h GLU 188 Ca 0.16 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3m01 h GLU 188 Cb 0.23 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3m01 h GLU 188 CO -0.30 0.87 0.10 0.37 -1.40 0.00 0.00 179.01 178.65 3m01 h GLN 189 N 0.99 0.31 -0.16 2.33 4.15 0.51 -0.73 115.11 122.51 3m01 h GLN 189 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3m01 h GLN 189 Cb 0.27 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3m01 h GLN 189 CO -0.01 0.34 0.08 0.28 -1.93 0.00 0.00 178.83 177.58 3m01 h VAL 190 N 0.21 1.14 -0.99 2.39 2.07 -0.15 -1.00 116.25 119.92 3m01 h VAL 190 Ca 0.07 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3m01 h VAL 190 Cb 0.13 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3m01 h VAL 190 CO -0.01 0.13 0.64 0.74 0.02 0.00 0.00 177.57 179.09 3m01 h THR 191 N 0.13 1.11 -0.52 2.57 2.02 -1.02 -0.73 112.91 116.46 3m01 h THR 191 Ca 0.06 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 3m01 h THR 191 Cb 0.14 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 3m01 h THR 191 CO -0.01 0.22 -0.10 -0.74 0.37 0.00 0.00 175.52 175.26 3m01 h HIS 192 N 1.19 1.08 -0.64 3.16 6.17 -0.80 -2.53 115.15 122.78 3m01 h HIS 192 Ca 0.42 -0.22 -0.08 0.00 0.71 0.00 0.00 60.37 61.20 3m01 h HIS 192 Cb 0.12 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 3m01 h HIS 192 CO -0.00 1.01 0.08 0.00 0.71 0.00 0.00 177.93 179.73 3m01 h ALA 193 N 1.00 0.94 0.00 5.26 0.00 -0.38 0.37 119.26 126.45 3m01 h ALA 193 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3m01 h ALA 193 Cb 0.65 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3m01 h ALA 193 CO 0.04 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.82 3m01 h LEU 194 N 0.99 0.00 0.02 0.00 3.38 -0.89 -1.95 115.31 116.85 3m01 h LEU 194 Ca 0.19 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.87 3m01 h LEU 194 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3m01 h LEU 194 CO 0.02 0.06 -1.68 -0.33 0.09 0.00 0.00 178.44 176.60 3m01 h GLU 195 N 0.00 0.04 -2.09 1.13 5.08 -1.00 -3.46 114.58 114.27 3m01 h GLU 195 Ca -0.00 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3m01 h GLU 195 Cb 0.11 0.03 -0.31 0.00 0.50 0.00 0.00 28.75 29.07 3m01 h GLU 195 CO 0.01 0.64 -0.51 -1.14 -1.00 0.00 0.00 179.01 177.01 3m01 s GLN 196 N -2.60 0.31 0.69 2.33 2.00 0.13 -5.11 119.66 117.40 3m01 s GLN 196 Ca -0.06 0.50 -0.13 0.00 -2.00 0.00 0.00 55.36 53.66 3m01 s GLN 196 Cb 0.08 -0.58 0.01 0.00 0.80 0.00 0.00 33.01 33.32 3m01 s GLN 196 CO 0.82 -0.61 1.10 0.00 -0.50 0.00 0.00 175.29 176.09 3m01 h LEU 198 N -0.32 0.57 -1.93 0.00 5.85 -1.90 -3.24 115.31 114.34 3m01 h LEU 198 Ca -0.46 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 57.90 3m01 h LEU 198 Cb 1.24 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3m01 h LEU 198 CO 0.54 0.79 -0.00 -0.74 -0.34 0.00 0.00 178.44 178.69 3m01 h HIS 199 N 0.34 0.04 -0.53 1.25 2.76 -1.93 -2.95 115.15 114.13 3m01 h HIS 199 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3m01 h HIS 199 Cb 0.54 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.49 3m01 h HIS 199 CO 0.05 0.04 0.00 1.63 -1.30 0.00 0.00 177.93 178.35 3m01 n LYS 200 N -4.51 3.27 -3.69 5.26 5.02 -1.24 -4.99 118.16 117.28 3m01 n LYS 200 Ca -0.03 -2.64 -0.20 0.00 -2.02 0.00 0.00 58.31 53.43 3m01 n LYS 200 Cb 0.10 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 3m01 n LYS 200 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3m01 s GLY 201 N -1.10 1.49 -0.01 0.72 0.00 -1.12 -4.60 107.32 102.69 3m01 s GLY 201 Ca 0.42 -1.41 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 3m01 s GLY 201 CO 0.21 -1.36 1.28 0.14 0.00 0.00 0.00 173.10 173.37 3m01 s VAL 202 N -2.13 4.00 0.19 1.40 1.01 -1.26 -4.92 120.40 118.70 3m01 s VAL 202 Ca 0.41 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 3m01 s VAL 202 Cb -0.09 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 32.55 3m01 s VAL 202 CO 0.30 0.02 1.58 -0.65 0.00 0.00 0.00 175.10 176.34 3m01 h PRO 203 N 7.48 -0.14 -0.57 2.72 0.11 -1.93 -1.12 132.00 138.56 3m01 h PRO 203 Ca -0.37 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3m01 h PRO 203 Cb 1.18 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3m01 h PRO 203 CO 0.88 -0.09 0.36 0.00 -0.21 0.00 0.00 178.00 178.94 3m01 h ARG 204 N -0.14 0.70 0.20 1.05 2.47 -1.92 -0.43 114.38 116.31 3m01 h ARG 204 Ca 0.25 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3m01 h ARG 204 Cb 0.56 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3m01 h ARG 204 CO -0.72 0.46 -0.16 0.28 0.56 0.00 0.00 179.97 180.39 3m01 h VAL 205 N 0.72 0.66 -0.27 2.04 2.07 -1.72 0.24 116.25 119.99 3m01 h VAL 205 Ca 0.22 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 3m01 h VAL 205 Cb -0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3m01 h VAL 205 CO -0.07 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.19 3m01 h GLU 206 N -0.37 0.40 -0.29 1.57 4.39 -1.08 -2.13 114.58 117.07 3m01 h GLU 206 Ca -0.01 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 3m01 h GLU 206 Cb 0.33 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3m01 h GLU 206 CO -0.01 0.43 -0.41 1.15 -1.16 0.00 0.00 179.01 179.01 3m01 h THR 207 N 0.39 1.29 -0.44 1.13 2.02 -0.69 0.35 112.91 116.97 3m01 h THR 207 Ca 0.09 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.61 3m01 h THR 207 Cb 0.26 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3m01 h THR 207 CO 0.01 0.51 0.01 -0.09 0.37 0.00 0.00 175.52 176.33 3m01 h ARG 208 N 0.58 0.76 -0.43 6.66 9.65 -0.59 -1.49 114.38 129.52 3m01 h ARG 208 Ca 0.05 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 3m01 h ARG 208 Cb 0.95 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 3m01 h ARG 208 CO 0.09 0.83 -0.04 0.35 2.80 0.00 0.00 179.97 184.00 3m01 h PHE 209 N 0.61 0.88 -0.06 2.20 3.57 -1.26 -2.37 116.94 120.49 3m01 h PHE 209 Ca 0.12 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3m01 h PHE 209 Cb 0.48 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3m01 h PHE 209 CO 0.04 0.87 0.02 0.35 -2.23 0.00 0.00 178.31 177.36 3m01 h PHE 210 N 0.63 0.11 0.58 0.41 3.57 -0.80 -0.33 116.94 121.11 3m01 h PHE 210 Ca 0.12 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3m01 h PHE 210 Cb 0.55 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3m01 h PHE 210 CO 0.04 0.29 -0.31 0.82 -2.23 0.00 0.00 178.31 176.92 3m01 h ILE 211 N -0.11 0.36 -0.07 1.41 2.04 -1.30 0.17 117.51 120.02 3m01 h ILE 211 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3m01 h ILE 211 Cb 0.24 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3m01 h ILE 211 CO 0.00 0.00 -0.10 0.28 0.00 0.00 0.00 178.15 178.33 3m01 h SER 212 N -0.83 0.20 0.78 1.72 0.02 -1.48 -2.01 113.55 111.96 3m01 h SER 212 Ca -0.08 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3m01 h SER 212 Cb 0.65 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3m01 h SER 212 CO 0.11 0.69 -1.03 -1.20 -1.14 0.00 0.00 176.83 174.25 3m01 n SER 213 N -4.67 0.71 0.01 3.07 7.64 -0.14 -4.53 113.62 115.70 3m01 n SER 213 Ca -0.08 0.17 -0.00 0.00 1.01 0.00 0.00 58.87 59.97 3m01 n SER 213 Cb 0.33 0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 64.13 3m01 n SER 213 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3m01 n ILE 214 N -2.42 0.20 -0.11 0.44 2.08 -0.69 -4.60 119.36 114.26 3m01 n ILE 214 Ca 0.01 0.11 0.02 0.00 0.56 0.00 0.00 62.75 63.45 3m01 n ILE 214 Cb 0.51 -1.16 0.34 0.00 -0.75 0.00 0.00 39.64 38.58 3m01 n ILE 214 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 3m01 h TYR 215 N -0.02 0.72 0.00 1.39 3.20 -0.80 -1.03 116.97 120.43 3m01 h TYR 215 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3m01 h TYR 215 Cb 0.02 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3m01 h TYR 215 CO -0.01 0.46 -0.19 0.22 -1.64 0.00 0.00 178.16 177.00 3m01 h ASP 216 N 0.78 0.00 -0.02 -2.11 3.58 -1.55 -1.91 116.42 115.20 3m01 h ASP 216 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3m01 h ASP 216 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3m01 h ASP 216 CO -0.05 0.19 -0.09 0.29 -2.88 0.00 0.00 179.24 176.70 3m01 n LYS 217 N -3.69 1.99 -2.41 0.28 4.76 -0.50 -4.92 118.16 113.67 3m01 n LYS 217 Ca -0.01 -1.58 -0.42 0.00 -2.87 0.00 0.00 58.31 53.42 3m01 n LYS 217 Cb 0.30 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3m01 n LYS 217 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3m01 s GLU 218 N -2.10 4.43 0.11 1.97 0.41 -0.55 -4.43 118.70 118.55 3m01 s GLU 218 Ca 0.28 1.79 -0.05 0.00 -0.41 0.00 0.00 54.97 56.57 3m01 s GLU 218 Cb 0.20 -3.33 -0.16 0.00 -1.78 0.00 0.00 34.13 29.05 3m01 s GLU 218 CO 0.36 -0.25 1.24 -0.56 -0.49 0.00 0.00 175.26 175.57 3m01 h GLN 219 N 6.67 0.39 -0.00 1.61 -0.00 -1.91 -3.09 115.11 118.78 3m01 h GLN 219 Ca -0.42 -0.48 0.00 0.00 -0.00 0.00 0.00 58.65 57.75 3m01 h GLN 219 Cb 1.21 0.15 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 3m01 h GLN 219 CO 0.81 1.16 -0.01 -1.13 -0.00 0.00 0.00 178.83 179.66 3m01 n SER 220 N -3.69 0.25 -4.40 0.06 3.41 -1.26 -4.94 113.62 103.05 3m01 n SER 220 Ca -0.08 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.19 3m01 n SER 220 Cb 0.90 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 3m01 n SER 220 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3m01 n LYS 221 N -0.86 0.37 -3.33 4.33 2.85 -1.17 -4.91 118.16 115.43 3m01 n LYS 221 Ca 0.21 0.14 -0.40 0.00 -1.05 0.00 0.00 58.31 57.21 3m01 n LYS 221 Cb 0.17 -1.37 -0.09 0.00 -0.65 0.00 0.00 35.03 33.09 3m01 n LYS 221 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3m01 s ASN 222 N -1.01 6.27 0.26 -5.58 3.84 -1.26 -4.95 114.94 112.51 3m01 s ASN 222 Ca 0.63 0.07 -0.04 0.00 0.21 0.00 0.00 52.86 53.73 3m01 s ASN 222 Cb -0.57 -2.23 0.37 0.00 -0.55 0.00 0.00 41.25 38.27 3m01 s ASN 222 CO 0.59 -0.33 1.88 0.78 -2.79 0.00 0.00 177.10 177.23 3m01 h ASN 223 N 8.33 1.00 0.18 -4.21 2.35 -1.99 -1.18 115.58 120.06 3m01 h ASN 223 Ca -0.30 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3m01 h ASN 223 Cb 1.14 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3m01 h ASN 223 CO 0.71 0.65 -0.08 0.58 -1.65 0.00 0.00 177.43 177.63 3m01 h VAL 224 N 1.14 0.86 -0.34 2.81 2.07 -2.00 -1.46 116.25 119.34 3m01 h VAL 224 Ca 0.41 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.82 3m01 h VAL 224 Cb 0.13 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3m01 h VAL 224 CO -0.16 0.03 0.20 -0.07 0.02 0.00 0.00 177.57 177.59 3m01 h LEU 225 N -0.30 0.32 0.11 2.57 3.38 -1.87 -0.30 115.31 119.22 3m01 h LEU 225 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3m01 h LEU 225 Cb 0.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3m01 h LEU 225 CO 0.04 0.24 -0.19 0.25 0.09 0.00 0.00 178.44 178.87 3m01 h LEU 226 N 0.41 -0.52 -0.51 1.67 5.85 -1.15 0.37 115.31 121.43 3m01 h LEU 226 Ca 0.13 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3m01 h LEU 226 Cb -0.00 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3m01 h LEU 226 CO -0.06 -0.27 0.27 -0.09 -0.34 0.00 0.00 178.44 177.95 3m01 h ARG 227 N -0.36 0.50 0.17 1.25 2.43 -1.07 0.14 114.38 117.45 3m01 h ARG 227 Ca 0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3m01 h ARG 227 Cb 0.38 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3m01 h ARG 227 CO -0.10 0.33 -0.37 0.35 -1.51 0.00 0.00 179.97 178.67 3m01 h PHE 228 N 0.52 -1.02 -0.44 2.20 3.04 -0.60 -0.84 116.94 119.80 3m01 h PHE 228 Ca 0.22 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.27 3m01 h PHE 228 Cb 0.12 0.42 -0.07 0.00 2.56 0.00 0.00 35.95 38.98 3m01 h PHE 228 CO -0.10 -0.48 0.01 0.00 -2.02 0.00 0.00 178.31 175.73 3m01 h ALA 229 N -0.10 0.42 -0.33 2.41 0.00 0.50 -0.16 119.26 122.00 3m01 h ALA 229 Ca 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m01 h ALA 229 Cb 0.64 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3m01 h ALA 229 CO -0.18 -0.38 0.08 0.87 0.00 0.00 0.00 179.25 179.64 3m01 h LYS 230 N 0.13 0.52 -0.56 0.00 1.57 -0.45 -1.16 116.57 116.61 3m01 h LYS 230 Ca 0.22 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3m01 h LYS 230 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3m01 h LYS 230 CO -0.35 0.58 0.17 -0.07 -0.57 0.00 0.00 179.45 179.21 3m01 h LEU 231 N 0.37 0.82 -0.17 2.94 3.38 -0.88 -1.19 115.31 120.59 3m01 h LEU 231 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3m01 h LEU 231 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3m01 h LEU 231 CO 0.00 0.81 0.07 -0.78 0.09 0.00 0.00 178.44 178.63 3m01 h ASP 232 N 0.79 0.23 -0.53 -0.43 3.58 -0.96 0.13 116.42 119.23 3m01 h ASP 232 Ca 0.18 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.48 3m01 h ASP 232 Cb 0.29 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3m01 h ASP 232 CO -0.01 0.34 0.32 0.15 -2.88 0.00 0.00 179.24 177.17 3m01 h PHE 233 N 0.11 0.61 -0.19 0.28 3.04 -1.12 -0.49 116.94 119.19 3m01 h PHE 233 Ca 0.06 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.91 3m01 h PHE 233 Cb 0.18 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 3m01 h PHE 233 CO -0.01 0.36 -0.36 -0.91 -2.02 0.00 0.00 178.31 175.36 3m01 h ASN 234 N 0.65 0.42 -0.20 0.41 2.35 -0.98 -1.14 115.58 117.09 3m01 h ASN 234 Ca 0.21 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3m01 h ASN 234 Cb -0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3m01 h ASN 234 CO -0.08 0.75 -0.08 0.25 -1.65 0.00 0.00 177.43 176.62 3m01 h LEU 235 N 0.34 0.41 -1.40 1.61 5.85 -0.32 -2.71 115.31 119.10 3m01 h LEU 235 Ca 0.04 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3m01 h LEU 235 Cb 0.80 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3m01 h LEU 235 CO 0.06 0.72 0.08 -0.07 -0.34 0.00 0.00 178.44 178.89 3m01 h LEU 236 N 0.11 0.44 -1.20 2.25 3.38 -0.99 -1.65 115.31 117.65 3m01 h LEU 236 Ca 0.05 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3m01 h LEU 236 Cb 0.55 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3m01 h LEU 236 CO 0.03 0.45 0.56 -0.61 0.09 0.00 0.00 178.44 178.95 3m01 h GLN 237 N 0.47 1.00 -0.55 1.13 4.15 -0.97 -0.02 115.11 120.32 3m01 h GLN 237 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3m01 h GLN 237 Cb 0.19 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3m01 h GLN 237 CO -0.00 0.66 0.35 0.52 -1.93 0.00 0.00 178.83 178.43 3m01 h MET 238 N 1.03 0.73 -0.23 1.69 2.86 -0.99 0.21 114.93 120.24 3m01 h MET 238 Ca 0.34 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 3m01 h MET 238 Cb 0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3m01 h MET 238 CO -0.11 0.50 0.11 1.25 1.06 0.00 0.00 176.91 179.73 3m01 h LEU 239 N 0.74 0.30 -0.30 1.22 5.85 -1.15 -1.81 115.31 120.16 3m01 h LEU 239 Ca 0.20 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3m01 h LEU 239 Cb -0.06 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3m01 h LEU 239 CO -0.04 0.34 0.05 0.45 -0.34 0.00 0.00 178.44 178.90 3m01 h HIS 240 N 0.24 0.08 -0.83 1.25 3.86 -0.54 -1.02 115.15 118.19 3m01 h HIS 240 Ca 0.08 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3m01 h HIS 240 Cb 0.12 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3m01 h HIS 240 CO -0.02 0.01 0.54 0.87 0.86 0.00 0.00 177.93 180.19 3m01 h LYS 241 N 0.16 0.89 -0.24 2.45 1.57 -0.35 -0.14 116.57 120.92 3m01 h LYS 241 Ca 0.14 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3m01 h LYS 241 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3m01 h LYS 241 CO -0.19 0.59 -0.03 1.96 -0.57 0.00 0.00 179.45 181.22 3m01 h GLN 242 N 0.92 0.44 -0.19 3.15 4.20 -0.50 -0.81 115.11 122.32 3m01 h GLN 242 Ca 0.36 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3m01 h GLN 242 Cb 0.22 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 3m01 h GLN 242 CO -0.13 0.65 -0.04 0.93 -0.67 0.00 0.00 178.83 179.57 3m01 h GLU 243 N 0.20 0.01 0.00 1.46 5.08 -0.42 0.25 114.58 121.16 3m01 h GLU 243 Ca 0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3m01 h GLU 243 Cb 0.46 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3m01 h GLU 243 CO 0.02 0.00 -0.09 1.25 -1.00 0.00 0.00 179.01 179.20 3m01 h LEU 244 N 0.01 0.00 -0.00 1.33 5.85 -0.94 0.16 115.31 121.72 3m01 h LEU 244 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3m01 h LEU 244 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3m01 h LEU 244 CO -0.19 0.09 -0.00 0.00 -0.34 0.00 0.00 178.44 177.99 3m01 h ALA 245 N 1.91 0.00 -0.66 1.25 0.00 0.46 -0.25 119.26 121.98 3m01 h ALA 245 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3m01 h ALA 245 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3m01 h ALA 245 CO 0.01 -0.14 0.40 0.37 0.00 0.00 0.00 179.25 179.90 3m01 h GLN 246 N -0.71 0.76 -0.22 0.00 4.15 0.04 -1.53 115.11 117.60 3m01 h GLN 246 Ca -0.00 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 3m01 h GLN 246 Cb 0.72 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3m01 h GLN 246 CO 0.00 0.50 -0.39 0.28 -1.93 0.00 0.00 178.83 177.29 3m01 h VAL 247 N 0.78 1.30 -0.34 2.39 2.07 -0.73 -1.87 116.25 119.85 3m01 h VAL 247 Ca 0.27 -1.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 3m01 h VAL 247 Cb 0.04 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3m01 h VAL 247 CO -0.11 0.48 -0.13 0.28 0.02 0.00 0.00 177.57 178.11 3m01 h SER 248 N 0.41 0.58 -0.16 0.57 0.02 -0.45 -1.46 113.55 113.05 3m01 h SER 248 Ca 0.04 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 3m01 h SER 248 Cb 0.87 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3m01 h SER 248 CO 0.07 0.74 -0.29 0.03 -1.14 0.00 0.00 176.83 176.25 3m01 h ARG 249 N 0.55 0.48 -0.97 3.45 3.08 -1.11 -1.40 114.38 118.46 3m01 h ARG 249 Ca 0.10 -0.30 0.09 0.00 0.07 0.00 0.00 59.98 59.94 3m01 h ARG 249 Cb 0.54 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3m01 h ARG 249 CO 0.03 0.90 0.61 2.35 -1.07 0.00 0.00 179.97 182.79 3m01 h TRP 250 N 0.11 1.11 -0.01 3.04 7.01 -1.18 0.28 115.95 126.31 3m01 h TRP 250 Ca 0.01 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.93 3m01 h TRP 250 Cb 0.88 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 3m01 h TRP 250 CO 0.10 0.50 -0.52 2.35 -2.79 0.00 0.00 178.44 178.08 3m01 h TRP 251 N 1.03 0.04 -0.20 2.65 2.91 -1.15 -2.91 115.95 118.32 3m01 h TRP 251 Ca 0.45 -0.01 -0.17 0.00 1.13 0.00 0.00 58.89 60.29 3m01 h TRP 251 Cb 0.32 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 3m01 h TRP 251 CO -0.01 0.55 -0.53 -0.22 -1.03 0.00 0.00 178.44 177.19 3m01 h LYS 252 N 0.02 0.71 -1.12 2.65 3.64 0.11 -3.11 116.57 119.47 3m01 h LYS 252 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3m01 h LYS 252 Cb 0.93 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3m01 h LYS 252 CO 0.07 1.12 0.00 -0.25 -2.27 0.00 0.00 179.45 178.12 3m01 n ASP 253 N -4.12 2.98 0.00 4.20 8.00 0.80 -1.87 116.55 126.54 3m01 n ASP 253 Ca -0.06 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3m01 n ASP 253 Cb 0.61 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3m01 n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m01 n LEU 254 N 0.60 0.00 -3.80 0.64 4.77 -1.18 -5.02 117.00 113.02 3m01 n LEU 254 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3m01 n LEU 254 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3m01 n LEU 254 CO 0.00 0.00 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.34 3m01 n ASP 255 N -0.80 -2.92 0.27 -1.43 2.03 -0.78 -4.81 116.55 108.11 3m01 n ASP 255 Ca 0.00 -0.68 0.15 0.00 0.52 0.00 0.00 54.79 54.78 3m01 n ASP 255 Cb 0.09 -2.44 0.71 0.00 -0.72 0.00 0.00 41.12 38.76 3m01 n ASP 255 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3m01 h PHE 256 N -1.02 0.00 -0.03 -0.67 0.04 -1.88 -2.37 116.94 111.02 3m01 h PHE 256 Ca -0.47 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.31 3m01 h PHE 256 Cb 1.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 3m01 h PHE 256 CO 0.69 0.10 0.20 0.28 -0.60 0.00 0.00 178.31 178.98 3m01 h VAL 257 N 0.00 0.06 0.00 -0.55 2.07 -1.87 0.11 116.25 116.06 3m01 h VAL 257 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3m01 h VAL 257 Cb 0.45 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3m01 h VAL 257 CO 0.01 0.00 -1.33 0.35 0.02 0.00 0.00 177.57 176.62 3m01 n THR 258 N -3.08 0.33 -0.20 2.57 -2.24 -0.97 -4.47 114.28 106.23 3m01 n THR 258 Ca -0.02 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 3m01 n THR 258 Cb 0.26 -1.41 0.02 0.00 -2.10 0.00 0.00 70.33 67.10 3m01 n THR 258 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3m01 h THR 259 N -0.17 1.25 -2.31 4.28 1.35 -1.41 -3.24 112.91 112.66 3m01 h THR 259 Ca -0.15 -0.91 -0.67 0.00 -0.55 0.00 0.00 66.41 64.13 3m01 h THR 259 Cb 1.15 0.74 -0.37 0.00 -1.73 0.00 0.00 68.15 67.94 3m01 h THR 259 CO -0.08 0.33 -0.03 0.18 -0.25 0.00 0.00 175.52 175.68 3m01 n LEU 260 N -4.37 5.42 -0.10 3.87 4.77 0.36 -4.90 117.00 122.04 3m01 n LEU 260 Ca 0.03 -5.54 0.26 0.00 -0.03 0.00 0.00 56.01 50.73 3m01 n LEU 260 Cb 0.24 -0.81 0.66 0.00 -2.33 0.00 0.00 43.42 41.18 3m01 n LEU 260 CO 0.41 2.19 1.24 1.55 -1.33 0.00 0.00 177.39 181.44 3m01 h PRO 261 N 3.66 0.00 -0.02 3.23 0.13 -1.62 0.32 132.00 137.70 3m01 h PRO 261 Ca 0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.28 3m01 h PRO 261 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 3m01 h PRO 261 CO 0.97 0.00 -0.53 0.10 -0.23 0.00 0.00 178.00 178.31 3m01 h TYR 262 N 0.00 0.08 -3.38 1.56 -0.00 -1.90 -3.44 116.97 109.89 3m01 h TYR 262 Ca 0.37 -0.03 -0.53 0.00 -0.00 0.00 0.00 58.73 58.55 3m01 h TYR 262 Cb 1.94 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 38.65 3m01 h TYR 262 CO 0.00 0.58 0.46 0.00 -0.00 0.00 0.00 178.16 179.19 3m01 s ALA 263 N -3.84 3.29 0.16 0.10 0.00 0.10 -4.91 121.76 116.65 3m01 s ALA 263 Ca -0.02 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 3m01 s ALA 263 Cb 0.13 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3m01 s ALA 263 CO 0.76 -0.27 0.73 -0.98 0.00 0.00 0.00 175.76 176.00 3m01 s ARG 264 N 0.66 4.44 -0.48 0.00 1.04 -1.26 -4.84 118.95 118.51 3m01 s ARG 264 Ca 0.53 1.03 -0.27 0.00 -1.04 0.00 0.00 55.73 55.98 3m01 s ARG 264 Cb -0.26 -3.18 0.03 0.00 -2.04 0.00 0.00 34.95 29.50 3m01 s ARG 264 CO 0.30 0.55 1.04 0.34 -0.04 0.00 0.00 175.30 177.48 3m01 s ASP 265 N -1.25 6.54 -0.11 -2.89 -1.08 -1.26 -4.87 116.67 111.75 3m01 s ASP 265 Ca 0.36 0.23 0.25 0.00 -0.52 0.00 0.00 52.55 52.87 3m01 s ASP 265 Cb -0.21 -2.50 0.46 0.00 -1.46 0.00 0.00 42.92 39.21 3m01 s ASP 265 CO 0.24 -1.18 1.15 0.54 0.52 0.00 0.00 175.17 176.43 3m01 n ARG 266 N 7.57 0.75 -0.31 4.34 5.12 -1.26 -4.32 116.66 128.54 3m01 n ARG 266 Ca 0.08 -2.65 -0.02 0.00 -1.93 0.00 0.00 57.85 53.34 3m01 n ARG 266 Cb 0.49 -0.69 0.10 0.00 -1.16 0.00 0.00 32.46 31.20 3m01 n ARG 266 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3m01 h VAL 267 N 6.37 1.16 -0.65 1.55 2.07 -1.98 0.73 116.25 125.50 3m01 h VAL 267 Ca -0.19 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3m01 h VAL 267 Cb 1.63 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3m01 h VAL 267 CO 0.14 0.20 0.39 0.58 0.02 0.00 0.00 177.57 178.89 3m01 h VAL 268 N 1.08 1.04 -0.31 2.57 2.07 -1.97 0.44 116.25 121.16 3m01 h VAL 268 Ca 0.33 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 3m01 h VAL 268 Cb -0.03 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3m01 h VAL 268 CO -0.10 0.14 -0.35 -0.33 0.02 0.00 0.00 177.57 176.94 3m01 h GLU 269 N 0.75 0.70 -0.51 1.57 3.07 -1.80 -1.81 114.58 116.55 3m01 h GLU 269 Ca 0.27 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 3m01 h GLU 269 Cb 0.08 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3m01 h GLU 269 CO -0.13 0.95 0.24 0.00 -1.40 0.00 0.00 179.01 178.67 3m01 h TYR 271 N 0.68 0.87 -0.88 0.00 3.20 0.05 -1.40 116.97 119.50 3m01 h TYR 271 Ca 0.17 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 3m01 h TYR 271 Cb 0.12 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3m01 h TYR 271 CO -0.01 0.63 0.58 0.35 -1.64 0.00 0.00 178.16 178.07 3m01 h PHE 272 N 0.89 1.09 -0.22 -3.82 3.57 -0.74 0.12 116.94 117.82 3m01 h PHE 272 Ca 0.22 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3m01 h PHE 272 Cb 0.07 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3m01 h PHE 272 CO 0.01 0.66 0.14 2.35 -2.23 0.00 0.00 178.31 179.24 3m01 h TRP 273 N 1.16 0.28 -0.89 0.41 2.91 -0.61 -0.65 115.95 118.55 3m01 h TRP 273 Ca 0.33 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.34 3m01 h TRP 273 Cb -0.08 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.43 3m01 h TRP 273 CO -0.01 0.21 0.49 0.00 -1.03 0.00 0.00 178.44 178.09 3m01 h ALA 274 N 1.05 1.18 0.00 2.65 0.00 -0.58 -0.90 119.26 122.66 3m01 h ALA 274 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3m01 h ALA 274 Cb 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3m01 h ALA 274 CO -0.02 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 181.00 3m01 h LEU 275 N 1.25 0.00 -0.30 0.00 5.85 -0.28 -2.04 115.31 119.79 3m01 h LEU 275 Ca 0.31 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 3m01 h LEU 275 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3m01 h LEU 275 CO -0.05 0.14 -0.77 1.23 -0.34 0.00 0.00 178.44 178.65 3m01 h GLY 276 N 1.14 0.00 0.62 3.75 0.00 0.25 -3.27 103.07 105.55 3m01 h GLY 276 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3m01 h GLY 276 CO 0.02 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.47 3m01 h VAL 277 N 0.00 1.32 -2.47 4.60 2.07 -0.75 -3.45 116.25 117.57 3m01 h VAL 277 Ca -0.01 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 3m01 h VAL 277 Cb 1.45 1.93 -0.23 0.00 -1.52 0.00 0.00 31.29 32.92 3m01 h VAL 277 CO 0.10 0.25 -0.10 -0.72 0.02 0.00 0.00 177.57 177.12 3m01 s TYR 278 N -4.61 -0.57 -0.01 1.57 -0.85 -1.10 -4.55 117.35 107.23 3m01 s TYR 278 Ca -0.15 1.38 0.05 0.00 -0.52 0.00 0.00 57.07 57.82 3m01 s TYR 278 Cb 0.03 0.20 -0.07 0.00 0.38 0.00 0.00 41.96 42.50 3m01 s TYR 278 CO 0.68 -0.29 0.10 1.97 -1.52 0.00 0.00 175.55 176.49 3m01 n PHE 279 N 2.72 0.00 -1.63 -3.49 1.16 -1.24 -4.34 117.46 110.64 3m01 n PHE 279 Ca -0.14 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.05 3m01 n PHE 279 Cb 0.56 -0.11 0.04 0.00 -1.61 0.00 0.00 39.48 38.36 3m01 n PHE 279 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3m01 n GLU 280 N -1.69 1.20 -0.26 3.97 4.71 -1.26 -4.90 120.64 122.41 3m01 n GLU 280 Ca -0.01 0.45 0.02 0.00 -0.01 0.00 0.00 57.16 57.60 3m01 n GLU 280 Cb 0.15 -2.19 0.24 0.00 -1.01 0.00 0.00 31.44 28.63 3m01 n GLU 280 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3m01 h PRO 281 N 1.02 1.00 0.00 3.49 0.13 -1.97 -2.20 132.00 133.47 3m01 h PRO 281 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3m01 h PRO 281 Cb 1.34 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3m01 h PRO 281 CO 0.54 0.66 0.12 -0.56 -0.23 0.00 0.00 178.00 178.53 3m01 h GLN 282 N 1.03 0.00 -0.57 0.86 3.07 -2.02 -0.58 115.11 116.90 3m01 h GLN 282 Ca 0.32 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.92 3m01 h GLN 282 Cb 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.48 3m01 h GLN 282 CO -0.09 0.00 0.14 0.66 0.09 0.00 0.00 178.83 179.63 3m01 n TYR 283 N -2.62 1.90 -0.04 0.06 4.01 -0.83 -4.63 117.16 115.02 3m01 n TYR 283 Ca -0.02 -1.15 -0.10 0.00 -0.16 0.00 0.00 57.90 56.47 3m01 n TYR 283 Cb 0.16 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 38.59 3m01 n TYR 283 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3m01 h SER 284 N 2.34 0.23 -0.58 7.72 0.87 -1.23 -0.21 113.55 122.69 3m01 h SER 284 Ca 0.18 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3m01 h SER 284 Cb 2.02 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.90 3m01 h SER 284 CO 0.56 0.18 0.23 -0.61 -0.53 0.00 0.00 176.83 176.66 3m01 h GLN 285 N 0.25 0.87 0.20 2.24 4.15 -1.84 -2.13 115.11 118.84 3m01 h GLN 285 Ca 0.07 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.34 3m01 h GLN 285 Cb -0.01 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 3m01 h GLN 285 CO -0.01 0.75 -0.28 0.00 -1.93 0.00 0.00 178.83 177.36 3m01 h ALA 286 N 1.08 -0.52 -0.50 3.38 0.00 -1.64 -1.51 119.26 119.54 3m01 h ALA 286 Ca 0.19 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3m01 h ALA 286 Cb 0.21 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3m01 h ALA 286 CO -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 179.25 178.37 3m01 h ARG 287 N -0.54 0.08 -0.86 0.00 3.08 -0.83 0.33 114.38 115.65 3m01 h ARG 287 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3m01 h ARG 287 Cb 0.53 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3m01 h ARG 287 CO -0.11 0.05 0.48 0.28 -1.07 0.00 0.00 179.97 179.60 3m01 h VAL 288 N 0.08 1.25 0.04 2.04 2.07 -1.17 -0.10 116.25 120.46 3m01 h VAL 288 Ca 0.25 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3m01 h VAL 288 Cb 0.38 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3m01 h VAL 288 CO -0.44 0.28 -0.02 0.24 0.02 0.00 0.00 177.57 177.65 3m01 h MET 289 N 1.20 -0.05 -0.57 1.57 2.86 -0.19 -2.86 114.93 116.89 3m01 h MET 289 Ca 0.30 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.04 3m01 h MET 289 Cb 0.01 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 3m01 h MET 289 CO -0.05 0.21 0.17 1.25 1.06 0.00 0.00 176.91 179.54 3m01 h LEU 290 N -0.31 0.11 -0.98 1.22 5.85 0.01 -2.20 115.31 119.01 3m01 h LEU 290 Ca -0.01 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3m01 h LEU 290 Cb 0.28 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3m01 h LEU 290 CO 0.01 0.07 0.02 1.62 -0.34 0.00 0.00 178.44 179.83 3m01 h VAL 291 N 0.32 1.23 -0.56 1.05 3.04 -1.04 -1.49 116.25 118.80 3m01 h VAL 291 Ca 0.29 -0.94 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 3m01 h VAL 291 Cb 0.38 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.48 3m01 h VAL 291 CO -0.33 0.33 0.12 0.11 -1.01 0.00 0.00 177.57 176.80 3m01 h LYS 292 N 0.72 0.87 -0.11 4.17 1.57 -1.17 -0.40 116.57 122.22 3m01 h LYS 292 Ca 0.15 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3m01 h LYS 292 Cb 0.41 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3m01 h LYS 292 CO 0.01 0.79 -0.03 1.15 -0.57 0.00 0.00 179.45 180.81 3m01 h THR 293 N 0.83 1.29 -0.63 -0.16 2.02 -1.04 -0.55 112.91 114.68 3m01 h THR 293 Ca 0.18 -0.97 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3m01 h THR 293 Cb 0.32 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 3m01 h THR 293 CO 0.00 0.28 0.36 0.40 0.37 0.00 0.00 175.52 176.92 3m01 h ILE 294 N -0.12 0.99 -0.09 3.11 2.04 -1.05 0.35 117.51 122.74 3m01 h ILE 294 Ca 0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3m01 h ILE 294 Cb 0.44 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3m01 h ILE 294 CO 0.01 0.12 0.03 0.28 0.00 0.00 0.00 178.15 178.60 3m01 h SER 295 N 0.67 0.13 0.11 1.72 0.02 -1.03 -1.49 113.55 113.67 3m01 h SER 295 Ca 0.27 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3m01 h SER 295 Cb 0.13 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3m01 h SER 295 CO -0.16 0.27 -0.18 -0.03 -1.14 0.00 0.00 176.83 175.59 3m01 h MET 296 N -0.03 -0.34 0.00 3.45 -1.53 -0.56 -1.37 114.93 114.55 3m01 h MET 296 Ca 0.03 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 3m01 h MET 296 Cb 0.19 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.32 3m01 h MET 296 CO -0.00 -0.23 0.00 0.97 0.14 0.00 0.00 176.91 177.79 3m01 h ILE 297 N -0.36 0.00 -0.45 1.77 6.09 -0.31 -1.71 117.51 122.54 3m01 h ILE 297 Ca 0.02 -0.23 -0.07 0.00 -1.37 0.00 0.00 64.86 63.21 3m01 h ILE 297 Cb 0.37 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 3m01 h ILE 297 CO -0.10 0.00 0.01 -1.28 -3.07 0.00 0.00 178.15 173.71 3m01 h SER 298 N 0.00 0.78 0.27 2.19 0.87 -0.15 -1.86 113.55 115.64 3m01 h SER 298 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 3m01 h SER 298 Cb 0.26 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3m01 h SER 298 CO 0.00 0.89 -0.13 0.40 -0.53 0.00 0.00 176.83 177.46 3m01 h ILE 299 N 0.64 0.78 -0.82 2.23 2.04 -1.06 -1.97 117.51 119.34 3m01 h ILE 299 Ca 0.13 -0.36 0.20 0.00 1.00 0.00 0.00 64.86 65.83 3m01 h ILE 299 Cb 0.49 0.98 -0.13 0.00 -0.74 0.00 0.00 36.82 37.42 3m01 h ILE 299 CO 0.02 0.08 0.20 0.58 0.00 0.00 0.00 178.15 179.03 3m01 h VAL 300 N -0.55 0.39 0.66 1.67 2.07 -1.43 0.36 116.25 119.43 3m01 h VAL 300 Ca -0.04 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3m01 h VAL 300 Cb 0.40 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3m01 h VAL 300 CO 0.06 0.04 -0.36 -0.78 0.02 0.00 0.00 177.57 176.56 3m01 h ASP 301 N 0.23 -0.87 -0.96 0.57 3.58 -1.05 -1.42 116.42 116.51 3m01 h ASP 301 Ca 0.49 0.04 0.15 0.00 0.42 0.00 0.00 57.03 58.13 3m01 h ASP 301 Cb 0.93 0.24 -0.09 0.00 1.72 0.00 0.00 39.33 42.12 3m01 h ASP 301 CO -0.60 -0.58 0.57 0.44 -2.88 0.00 0.00 179.24 176.19 3m01 h ASP 302 N -0.94 0.77 -0.87 2.28 3.32 -0.39 0.37 116.42 120.96 3m01 h ASP 302 Ca -0.09 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.11 3m01 h ASP 302 Cb 0.74 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 3m01 h ASP 302 CO 0.12 0.34 0.54 0.74 -1.72 0.00 0.00 179.24 179.26 3m01 h THR 303 N 0.81 1.03 -0.09 0.35 2.02 0.10 -1.07 112.91 116.07 3m01 h THR 303 Ca 0.51 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 67.17 3m01 h THR 303 Cb 0.67 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3m01 h THR 303 CO -0.33 0.18 -0.70 -0.26 0.37 0.00 0.00 175.52 174.78 3m01 h PHE 304 N 0.97 0.87 -0.18 3.16 -1.00 0.14 -1.15 116.94 119.75 3m01 h PHE 304 Ca 0.38 -0.41 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 3m01 h PHE 304 Cb 0.19 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.58 3m01 h PHE 304 CO -0.03 1.22 -0.20 -0.40 -1.61 0.00 0.00 178.31 177.29 3m01 n ASP 305 N -4.08 2.35 -0.32 2.17 5.75 -0.78 -4.65 116.55 117.00 3m01 n ASP 305 Ca -0.09 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 3m01 n ASP 305 Cb 0.71 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3m01 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m01 n ALA 306 N -1.10 1.63 0.00 2.12 0.00 -0.41 -5.02 120.51 117.73 3m01 n ALA 306 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3m01 n ALA 306 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3m01 n ALA 306 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3m01 n TYR 307 N 0.00 -0.70 -1.91 0.00 9.36 -1.23 -4.75 117.16 117.94 3m01 n TYR 307 Ca 0.00 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.91 3m01 n TYR 307 Cb 0.51 0.14 0.01 0.00 -0.63 0.00 0.00 39.34 39.37 3m01 n TYR 307 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3m01 s GLY 308 N -1.43 1.81 0.22 2.98 0.00 -0.44 -4.84 107.32 105.63 3m01 s GLY 308 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3m01 s GLY 308 CO 0.00 0.38 0.39 -0.51 0.00 0.00 0.00 173.10 173.36 3m01 s THR 309 N -2.92 5.22 0.35 0.90 -4.23 -1.26 -4.87 115.64 108.83 3m01 s THR 309 Ca 0.58 -0.56 0.17 0.00 -1.18 0.00 0.00 61.69 60.70 3m01 s THR 309 Cb -0.12 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.28 3m01 s THR 309 CO 0.47 -0.25 1.65 0.58 -0.54 0.00 0.00 174.62 176.53 3m01 h VAL 310 N 1.36 0.24 -0.10 2.29 2.07 -1.97 0.22 116.25 120.36 3m01 h VAL 310 Ca -0.49 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.76 3m01 h VAL 310 Cb 1.20 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3m01 h VAL 310 CO 0.66 0.05 -0.67 0.11 0.02 0.00 0.00 177.57 177.73 3m01 h LYS 311 N 0.25 0.62 -0.59 1.57 1.79 -1.99 -2.19 116.57 116.02 3m01 h LYS 311 Ca 0.76 -0.54 -0.08 0.00 -2.18 0.00 0.00 60.65 58.60 3m01 h LYS 311 Cb 1.82 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.58 3m01 h LYS 311 CO -0.63 1.16 0.04 0.93 -1.08 0.00 0.00 179.45 179.88 3m01 h GLU 312 N 0.26 1.02 -0.30 3.15 5.08 -1.15 -1.95 114.58 120.69 3m01 h GLU 312 Ca -0.06 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3m01 h GLU 312 Cb 1.32 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3m01 h GLU 312 CO 0.14 0.99 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.89 3m01 h LEU 313 N 0.92 0.54 -0.59 1.33 3.38 -0.75 0.63 115.31 120.77 3m01 h LEU 313 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3m01 h LEU 313 Cb 0.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3m01 h LEU 313 CO 0.02 0.73 0.28 -0.08 0.09 0.00 0.00 178.44 179.49 3m01 h GLU 314 N 0.49 0.86 -0.43 1.13 4.57 -1.08 0.19 114.58 120.32 3m01 h GLU 314 Ca 0.08 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 3m01 h GLU 314 Cb 0.59 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3m01 h GLU 314 CO 0.04 0.69 -0.21 0.00 -1.18 0.00 0.00 179.01 178.36 3m01 h ALA 315 N 1.12 0.83 0.16 2.92 0.00 -0.85 -2.25 119.26 121.19 3m01 h ALA 315 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3m01 h ALA 315 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3m01 h ALA 315 CO -0.03 0.64 -0.07 -0.92 0.00 0.00 0.00 179.25 178.87 3m01 h TYR 316 N 0.74 -0.19 -0.73 0.00 3.20 -0.44 -1.00 116.97 118.55 3m01 h TYR 316 Ca 0.10 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3m01 h TYR 316 Cb 0.74 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 3m01 h TYR 316 CO 0.04 0.03 0.48 1.15 -1.64 0.00 0.00 178.16 178.22 3m01 h THR 317 N -0.39 1.04 0.40 1.81 2.02 -0.95 -0.87 112.91 115.96 3m01 h THR 317 Ca -0.02 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3m01 h THR 317 Cb 0.31 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3m01 h THR 317 CO 0.04 0.14 -0.19 0.44 0.37 0.00 0.00 175.52 176.32 3m01 h ASP 318 N 0.79 -0.46 -0.71 4.18 5.19 -1.07 -2.18 116.42 122.16 3m01 h ASP 318 Ca 0.31 -0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.73 3m01 h ASP 318 Cb 0.22 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 3m01 h ASP 318 CO -0.10 -0.20 0.47 0.00 -3.12 0.00 0.00 179.24 176.28 3m01 h ALA 319 N -0.17 1.78 -0.58 3.45 0.00 -0.68 -1.28 119.26 121.79 3m01 h ALA 319 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3m01 h ALA 319 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3m01 h ALA 319 CO 0.09 0.09 0.20 0.82 0.00 0.00 0.00 179.25 180.44 3m01 h ILE 320 N 0.67 1.23 -0.33 0.00 1.08 -1.03 0.21 117.51 119.35 3m01 h ILE 320 Ca 0.32 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 3m01 h ILE 320 Cb 0.37 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 3m01 h ILE 320 CO -0.11 0.29 0.05 1.56 -0.69 0.00 0.00 178.15 179.25 3m01 h GLN 321 N 0.80 0.55 -0.32 2.37 1.08 -0.60 -3.00 115.11 116.00 3m01 h GLN 321 Ca 0.19 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 3m01 h GLN 321 Cb 0.25 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3m01 h GLN 321 CO -0.01 0.64 -0.30 0.00 -0.95 0.00 0.00 178.83 178.21 3m01 h ARG 322 N 0.38 0.67 -6.07 1.46 3.08 -1.24 -3.48 114.38 109.17 3m01 h ARG 322 Ca 0.10 -0.30 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 3m01 h ARG 322 Cb 0.36 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 3m01 h ARG 322 CO 0.01 0.89 -0.96 1.87 -1.07 0.00 0.00 179.97 180.70 3m01 n TRP 323 N -4.08 -2.79 -3.62 3.04 -0.00 0.72 -5.02 117.44 105.69 3m01 n TRP 323 Ca -0.01 1.16 -0.03 0.00 -0.00 0.00 0.00 57.50 58.62 3m01 n TRP 323 Cb 0.47 -2.55 -0.06 0.00 -0.00 0.00 0.00 31.31 29.16 3m01 n TRP 323 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3m01 s ASP 324 N -1.79 -0.60 0.49 5.87 -1.08 -1.26 -5.04 116.67 113.25 3m01 s ASP 324 Ca 0.29 0.94 0.34 0.00 -0.52 0.00 0.00 52.55 53.60 3m01 s ASP 324 Cb -0.04 1.32 1.46 0.00 -1.46 0.00 0.00 42.92 44.19 3m01 s ASP 324 CO 0.76 -0.15 1.70 -0.29 0.52 0.00 0.00 175.17 177.72 3m01 h ILE 325 N 5.09 0.28 -0.05 4.11 6.09 -1.96 0.16 117.51 131.22 3m01 h ILE 325 Ca -0.27 -0.04 0.01 0.00 -1.37 0.00 0.00 64.86 63.20 3m01 h ILE 325 Cb 1.19 0.16 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 3m01 h ILE 325 CO 0.18 0.02 0.27 0.78 -3.07 0.00 0.00 178.15 176.33 3m01 h ASN 326 N 0.11 0.00 0.99 2.19 2.35 -2.01 -0.95 115.58 118.25 3m01 h ASN 326 Ca 0.71 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.46 3m01 h ASN 326 Cb 2.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.85 3m01 h ASN 326 CO -0.19 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 174.97 3m01 n GLU 327 N -3.07 0.05 -0.27 0.81 -0.58 0.04 -4.21 120.64 113.42 3m01 n GLU 327 Ca -0.01 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.70 3m01 n GLU 327 Cb 0.34 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 3m01 n GLU 327 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3m01 h ILE 328 N 0.00 0.00 -0.58 -3.67 1.08 -1.37 0.80 117.51 113.78 3m01 h ILE 328 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.64 3m01 h ILE 328 Cb 0.49 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 3m01 h ILE 328 CO 0.00 0.00 0.50 -2.24 -0.69 0.00 0.00 178.15 175.72 3m01 h ASP 329 N -0.21 0.00 0.91 1.72 2.03 -1.83 0.39 116.42 119.43 3m01 h ASP 329 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 3m01 h ASP 329 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3m01 h ASP 329 CO -0.76 0.00 0.00 0.03 -1.03 0.00 0.00 179.24 177.48 3m01 h ARG 330 N 0.00 0.00 -6.05 4.15 -0.00 -1.10 -3.45 114.38 107.94 3m01 h ARG 330 Ca 0.27 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 59.16 3m01 h ARG 330 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.18 3m01 h ARG 330 CO -0.00 0.00 -0.52 -0.51 0.00 0.00 0.00 179.97 178.93 3m01 s LEU 331 N -5.48 4.15 1.07 3.04 1.43 0.14 -5.00 118.68 118.04 3m01 s LEU 331 Ca 0.02 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 3m01 s LEU 331 Cb 0.09 -2.77 0.22 0.00 0.03 0.00 0.00 46.19 43.76 3m01 s LEU 331 CO 0.48 0.13 1.01 -2.65 0.23 0.00 0.00 176.35 175.54 3m01 n PRO 332 N 0.03 -1.57 0.02 1.29 -0.02 -1.26 -4.72 135.00 128.76 3m01 n PRO 332 Ca -0.07 -0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 60.90 3m01 n PRO 332 Cb 0.52 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3m01 n PRO 332 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3m01 h ASP 333 N -2.32 -0.35 -0.75 2.55 3.32 -1.97 -1.93 116.42 114.96 3m01 h ASP 333 Ca -0.53 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 3m01 h ASP 333 Cb 1.31 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.99 3m01 h ASP 333 CO 0.45 -0.16 0.29 0.10 -1.72 0.00 0.00 179.24 178.19 3m01 h TYR 334 N -0.17 1.15 0.00 4.55 -0.00 -1.96 -1.16 116.97 119.39 3m01 h TYR 334 Ca 0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 58.73 58.70 3m01 h TYR 334 Cb 0.26 -0.34 0.00 0.00 -0.00 0.00 0.00 36.73 36.64 3m01 h TYR 334 CO -0.21 0.89 0.00 -1.33 -0.00 0.00 0.00 178.16 177.51 3m01 n MET 335 N -4.31 0.07 0.00 0.10 2.81 -1.11 -1.88 117.12 112.81 3m01 n MET 335 Ca 0.06 0.35 -0.14 0.00 -1.81 0.00 0.00 57.70 56.15 3m01 n MET 335 Cb 0.19 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 3m01 n MET 335 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3m01 h LYS 336 N 0.00 0.65 0.28 0.03 1.57 -0.40 -1.95 116.57 116.76 3m01 h LYS 336 Ca 0.00 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3m01 h LYS 336 Cb 0.26 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3m01 h LYS 336 CO 0.00 1.15 -0.14 0.82 -0.57 0.00 0.00 179.45 180.71 3m01 h ILE 337 N 0.45 0.74 0.46 1.86 2.04 -1.37 -1.85 117.51 119.83 3m01 h ILE 337 Ca -0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3m01 h ILE 337 Cb 1.36 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3m01 h ILE 337 CO 0.15 0.03 -0.47 0.28 0.00 0.00 0.00 178.15 178.13 3m01 h SER 338 N -0.44 -1.29 -0.38 1.72 0.02 -1.58 -1.55 113.55 110.06 3m01 h SER 338 Ca -0.04 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 3m01 h SER 338 Cb 0.33 0.43 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 3m01 h SER 338 CO 0.06 -0.63 -0.18 0.22 -1.14 0.00 0.00 176.83 175.17 3m01 h TYR 339 N -0.94 -0.43 -0.51 3.45 3.20 -1.35 0.55 116.97 120.94 3m01 h TYR 339 Ca -0.05 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3m01 h TYR 339 Cb 0.82 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3m01 h TYR 339 CO -0.25 -0.26 0.01 -0.22 -1.64 0.00 0.00 178.16 175.80 3m01 h LYS 340 N -0.11 0.90 -0.66 1.82 3.64 -1.31 -2.16 116.57 118.69 3m01 h LYS 340 Ca 0.19 -0.28 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3m01 h LYS 340 Cb 0.40 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3m01 h LYS 340 CO -0.45 0.92 0.36 0.00 -2.27 0.00 0.00 179.45 178.02 3m01 h ALA 341 N 0.94 0.88 0.22 5.00 0.00 -0.66 -1.38 119.26 124.25 3m01 h ALA 341 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3m01 h ALA 341 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m01 h ALA 341 CO 0.02 0.03 -0.11 0.82 0.00 0.00 0.00 179.25 180.02 3m01 h ILE 342 N 0.67 0.79 -0.76 0.00 2.04 -0.65 -1.36 117.51 118.24 3m01 h ILE 342 Ca 0.30 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.13 3m01 h ILE 342 Cb 0.19 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3m01 h ILE 342 CO -0.19 0.01 0.50 -0.07 0.00 0.00 0.00 178.15 178.41 3m01 h LEU 343 N -0.32 0.85 -0.42 1.44 3.38 -1.09 -2.16 115.31 117.00 3m01 h LEU 343 Ca -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3m01 h LEU 343 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3m01 h LEU 343 CO 0.05 0.60 0.08 0.44 0.09 0.00 0.00 178.44 179.70 3m01 h ASP 344 N 1.00 0.65 -0.15 -0.43 3.32 -1.08 -0.26 116.42 119.47 3m01 h ASP 344 Ca 0.29 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3m01 h ASP 344 Cb -0.06 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 3m01 h ASP 344 CO -0.07 0.74 -0.26 0.25 -1.72 0.00 0.00 179.24 178.17 3m01 h LEU 345 N 0.54 -0.82 -1.95 1.55 5.85 -0.63 0.76 115.31 120.61 3m01 h LEU 345 Ca 0.13 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3m01 h LEU 345 Cb 0.36 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3m01 h LEU 345 CO 0.01 -0.31 -0.09 1.88 -0.34 0.00 0.00 178.44 179.59 3m01 h TYR 346 N -0.32 0.00 0.01 1.25 0.05 -1.28 -0.11 116.97 116.57 3m01 h TYR 346 Ca 0.11 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.67 3m01 h TYR 346 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 3m01 h TYR 346 CO -0.37 0.09 -0.94 0.87 -1.05 0.00 0.00 178.16 176.76 3m01 h LYS 347 N 0.00 0.31 -0.14 4.88 1.79 0.11 -2.84 116.57 120.68 3m01 h LYS 347 Ca -0.00 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 3m01 h LYS 347 Cb 0.34 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3m01 h LYS 347 CO 0.01 1.05 -0.03 -0.44 -1.08 0.00 0.00 179.45 178.96 3m01 h ASP 348 N 0.17 0.27 -0.72 0.86 3.32 0.20 -2.59 116.42 117.93 3m01 h ASP 348 Ca -0.07 -0.36 0.15 0.00 0.02 0.00 0.00 57.03 56.76 3m01 h ASP 348 Cb 1.58 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.95 3m01 h ASP 348 CO 0.15 0.57 0.21 1.88 -1.72 0.00 0.00 179.24 180.34 3m01 h TYR 349 N -0.03 0.35 -0.90 4.55 0.05 -1.10 0.99 116.97 120.88 3m01 h TYR 349 Ca 0.04 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3m01 h TYR 349 Cb 0.45 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 3m01 h TYR 349 CO 0.05 -0.02 0.55 0.93 -1.05 0.00 0.00 178.16 178.62 3m01 h GLU 350 N 0.33 1.21 -0.53 4.88 5.08 -1.39 -2.02 114.58 122.13 3m01 h GLU 350 Ca 0.40 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3m01 h GLU 350 Cb 0.64 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3m01 h GLU 350 CO -0.45 0.84 0.16 -0.22 -1.00 0.00 0.00 179.01 178.33 3m01 h LYS 351 N 1.23 0.83 -0.32 2.33 1.63 -0.47 -1.12 116.57 120.68 3m01 h LYS 351 Ca 0.32 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 3m01 h LYS 351 Cb -0.07 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3m01 h LYS 351 CO -0.06 0.76 -0.07 0.93 -3.45 0.00 0.00 179.45 177.56 3m01 h GLU 352 N 0.73 0.52 -0.00 1.90 5.08 -0.81 -2.39 114.58 119.60 3m01 h GLU 352 Ca 0.17 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3m01 h GLU 352 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3m01 h GLU 352 CO -0.00 0.59 -0.28 1.28 -1.00 0.00 0.00 179.01 179.59 3m01 n LEU 353 N -4.24 0.38 -0.14 1.33 4.77 -0.79 -3.91 117.00 114.40 3m01 n LEU 353 Ca 0.01 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3m01 n LEU 353 Cb 0.29 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3m01 n LEU 353 CO 0.40 0.09 1.02 0.28 -1.33 0.00 0.00 177.39 177.85 3m01 h SER 354 N 0.15 0.39 -0.22 -1.43 0.02 -0.66 -0.80 113.55 111.01 3m01 h SER 354 Ca 0.00 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3m01 h SER 354 Cb 0.48 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3m01 h SER 354 CO 0.00 0.28 0.49 -1.28 -1.14 0.00 0.00 176.83 175.18 3m01 h SER 355 N 0.50 0.00 0.00 3.07 0.87 -1.70 0.07 113.55 116.36 3m01 h SER 355 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3m01 h SER 355 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3m01 h SER 355 CO -0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 176.83 176.08 3m01 n ALA 356 N -2.05 2.18 -3.89 6.23 0.00 -0.55 -5.01 120.51 117.42 3m01 n ALA 356 Ca 0.03 -2.19 -0.27 0.00 0.00 0.00 0.00 53.44 51.01 3m01 n ALA 356 Cb 0.60 -0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 3m01 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m01 n GLY 357 N -1.06 -0.42 0.00 0.00 0.00 0.01 -4.87 105.19 98.85 3m01 n GLY 357 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3m01 n GLY 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m01 n ARG 358 N -4.37 -0.59 0.28 1.61 1.74 -0.42 -4.75 116.66 110.17 3m01 n ARG 358 Ca -0.26 -0.32 0.13 0.00 -0.77 0.00 0.00 57.85 56.63 3m01 n ARG 358 Cb 0.66 -0.82 0.68 0.00 -1.02 0.00 0.00 32.46 31.97 3m01 n ARG 358 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3m01 h SER 359 N 0.00 0.00 0.45 0.55 0.02 -1.79 -0.32 113.55 112.45 3m01 h SER 359 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m01 h SER 359 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3m01 h SER 359 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3m01 n HIS 360 N -2.63 0.00 0.04 3.45 1.44 -1.26 -2.82 115.22 113.45 3m01 n HIS 360 Ca -0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 3m01 n HIS 360 Cb 0.34 -0.34 -0.09 0.00 0.12 0.00 0.00 29.99 30.03 3m01 n HIS 360 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 3m01 n ILE 361 N -1.34 0.36 -0.34 0.61 -5.35 -0.13 -4.30 119.36 108.88 3m01 n ILE 361 Ca 0.08 -0.54 0.26 0.00 -0.27 0.00 0.00 62.75 62.29 3m01 n ILE 361 Cb 0.18 -0.19 0.56 0.00 -1.74 0.00 0.00 39.64 38.44 3m01 n ILE 361 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3m01 h VAL 362 N 0.00 0.45 -0.40 7.28 2.07 -1.69 -0.35 116.25 123.61 3m01 h VAL 362 Ca -0.02 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3m01 h VAL 362 Cb 1.05 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3m01 h VAL 362 CO 0.00 0.05 0.29 0.00 0.02 0.00 0.00 177.57 177.93 3m01 h HIS 364 N 0.02 0.83 -0.53 0.00 -0.00 -1.36 0.24 115.15 114.35 3m01 h HIS 364 Ca 0.19 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.39 3m01 h HIS 364 Cb 0.73 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 3m01 h HIS 364 CO -0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 177.93 178.49 3m01 h ALA 365 N 1.08 0.79 -0.05 2.45 0.00 -1.35 -2.25 119.26 119.93 3m01 h ALA 365 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3m01 h ALA 365 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3m01 h ALA 365 CO -0.02 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.75 3m01 h ILE 366 N 0.89 1.03 -0.90 0.00 2.04 -0.71 -0.82 117.51 119.04 3m01 h ILE 366 Ca 0.14 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3m01 h ILE 366 Cb 0.67 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3m01 h ILE 366 CO 0.05 0.03 0.60 -0.33 0.00 0.00 0.00 178.15 178.49 3m01 h GLU 367 N 0.05 1.17 0.00 2.37 4.39 -0.46 -1.02 114.58 121.08 3m01 h GLU 367 Ca 0.02 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3m01 h GLU 367 Cb 0.01 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3m01 h GLU 367 CO -0.00 0.78 -0.32 0.00 -1.16 0.00 0.00 179.01 178.30 3m01 h ARG 368 N 1.21 0.00 -0.09 2.33 2.47 -1.08 -2.02 114.38 117.20 3m01 h ARG 368 Ca 0.33 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.92 3m01 h ARG 368 Cb -0.12 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.21 3m01 h ARG 368 CO -0.08 0.32 -0.45 1.98 0.56 0.00 0.00 179.97 182.31 3m01 h MET 369 N 0.00 0.47 -0.86 0.04 4.05 0.08 -2.26 114.93 116.44 3m01 h MET 369 Ca -0.00 -0.38 0.09 0.00 -0.28 0.00 0.00 59.70 59.13 3m01 h MET 369 Cb 0.61 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.42 3m01 h MET 369 CO 0.04 1.01 0.51 0.87 0.23 0.00 0.00 176.91 179.58 3m01 h LYS 370 N 0.04 0.84 -0.54 0.39 1.57 -1.04 0.22 116.57 118.05 3m01 h LYS 370 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3m01 h LYS 370 Cb 1.10 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3m01 h LYS 370 CO 0.09 0.56 0.36 1.49 -0.57 0.00 0.00 179.45 181.38 3m01 h GLU 371 N 0.87 0.72 -0.79 3.15 4.81 -1.28 0.56 114.58 122.61 3m01 h GLU 371 Ca 0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3m01 h GLU 371 Cb 0.33 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3m01 h GLU 371 CO -0.23 0.48 0.51 0.28 -0.73 0.00 0.00 179.01 179.32 3m01 h VAL 372 N 0.73 1.21 -0.18 0.32 2.07 -0.51 -2.25 116.25 117.65 3m01 h VAL 372 Ca 0.20 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3m01 h VAL 372 Cb -0.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 3m01 h VAL 372 CO -0.04 0.21 0.04 0.58 0.02 0.00 0.00 177.57 178.38 3m01 h VAL 373 N 1.08 1.20 -0.24 2.57 2.07 -0.39 -1.16 116.25 121.39 3m01 h VAL 373 Ca 0.29 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3m01 h VAL 373 Cb -0.10 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3m01 h VAL 373 CO -0.06 0.20 -0.33 0.03 0.02 0.00 0.00 177.57 177.43 3m01 h ARG 374 N 0.10 -0.33 0.00 1.57 3.08 -0.61 -0.83 114.38 117.35 3m01 h ARG 374 Ca 0.06 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3m01 h ARG 374 Cb 0.27 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3m01 h ARG 374 CO 0.00 -0.22 -0.14 -0.91 -1.07 0.00 0.00 179.97 177.63 3m01 h ASN 375 N -0.35 0.00 0.07 7.04 4.21 -1.33 -0.65 115.58 124.57 3m01 h ASN 375 Ca 0.12 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 3m01 h ASN 375 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3m01 h ASN 375 CO -0.43 0.14 -0.03 1.88 -1.29 0.00 0.00 177.43 177.69 3m01 h TYR 376 N 0.00 -0.08 -0.78 1.19 0.05 0.01 0.22 116.97 117.59 3m01 h TYR 376 Ca -0.00 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.88 3m01 h TYR 376 Cb 0.26 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 37.95 3m01 h TYR 376 CO 0.00 0.18 0.41 -0.97 -1.05 0.00 0.00 178.16 176.72 3m01 h ASN 377 N -0.34 0.54 -0.35 3.88 -0.73 -0.56 0.28 115.58 118.30 3m01 h ASN 377 Ca -0.01 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 3m01 h ASN 377 Cb 0.30 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 3m01 h ASN 377 CO 0.01 0.29 0.13 0.58 -0.37 0.00 0.00 177.43 178.08 3m01 h VAL 378 N 0.66 1.19 -0.85 2.57 2.07 -0.92 -1.15 116.25 119.82 3m01 h VAL 378 Ca 0.39 -0.59 0.14 0.00 0.82 0.00 0.00 66.70 67.45 3m01 h VAL 378 Cb 0.43 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3m01 h VAL 378 CO -0.28 0.21 0.55 -0.08 0.02 0.00 0.00 177.57 177.99 3m01 h GLU 379 N 0.41 0.63 0.14 1.57 4.81 0.63 0.85 114.58 123.63 3m01 h GLU 379 Ca 0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3m01 h GLU 379 Cb 0.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3m01 h GLU 379 CO -0.01 0.42 -0.07 1.03 -0.73 0.00 0.00 179.01 179.65 3m01 h SER 380 N 0.65 -0.16 -0.87 1.04 0.87 -0.43 -1.75 113.55 112.89 3m01 h SER 380 Ca 0.42 -0.26 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 3m01 h SER 380 Cb 0.69 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 3m01 h SER 380 CO -0.18 0.19 0.50 0.74 -0.53 0.00 0.00 176.83 177.55 3m01 h THR 381 N -0.53 0.84 -0.46 2.23 2.02 0.07 0.24 112.91 117.33 3m01 h THR 381 Ca -0.02 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3m01 h THR 381 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3m01 h THR 381 CO 0.03 0.14 0.02 -0.50 0.37 0.00 0.00 175.52 175.58 3m01 h TRP 382 N 0.77 0.78 0.24 3.16 6.55 -0.82 -1.40 115.95 125.23 3m01 h TRP 382 Ca 0.45 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 60.18 3m01 h TRP 382 Cb 0.51 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 3m01 h TRP 382 CO -0.06 0.72 -0.12 0.35 -1.05 0.00 0.00 178.44 178.28 3m01 h PHE 383 N 0.70 -0.30 -0.69 0.49 3.57 0.26 0.07 116.94 121.04 3m01 h PHE 383 Ca 0.14 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3m01 h PHE 383 Cb 0.40 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3m01 h PHE 383 CO 0.02 -0.01 0.34 0.82 -2.23 0.00 0.00 178.31 177.25 3m01 h ILE 384 N -0.58 0.87 0.00 1.41 1.08 -0.54 -2.02 117.51 117.73 3m01 h ILE 384 Ca -0.03 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3m01 h ILE 384 Cb 0.42 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3m01 h ILE 384 CO 0.05 0.11 0.00 -0.62 -0.69 0.00 0.00 178.15 177.00 3m01 n GLU 385 N -4.86 0.23 -2.20 2.37 1.02 -0.54 -4.90 120.64 111.76 3m01 n GLU 385 Ca 0.10 0.23 -0.08 0.00 -0.02 0.00 0.00 57.16 57.40 3m01 n GLU 385 Cb 0.25 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3m01 n GLU 385 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m01 n GLY 386 N 1.09 0.08 3.73 0.62 0.00 -0.47 -4.99 105.19 105.26 3m01 n GLY 386 Ca 0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3m01 n GLY 386 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m01 s TYR 387 N -2.43 3.82 -0.51 1.61 5.04 -0.11 -5.00 117.35 119.77 3m01 s TYR 387 Ca 0.02 1.79 0.04 0.00 -2.44 0.00 0.00 57.07 56.47 3m01 s TYR 387 Cb -0.01 -3.03 0.13 0.00 0.35 0.00 0.00 41.96 39.41 3m01 s TYR 387 CO 0.02 0.24 0.26 0.99 -1.34 0.00 0.00 175.55 175.72 3m01 s THR 388 N -0.13 2.32 0.85 4.34 2.01 -1.26 -4.30 115.64 119.46 3m01 s THR 388 Ca 0.46 -3.17 -0.11 0.00 0.31 0.00 0.00 61.69 59.17 3m01 s THR 388 Cb -0.23 -2.61 0.10 0.00 0.01 0.00 0.00 72.50 69.77 3m01 s THR 388 CO 0.29 -0.83 1.09 -2.16 -0.69 0.00 0.00 174.62 172.33 3m01 s PRO 389 N -0.18 1.67 0.74 4.92 0.04 -1.26 -4.99 135.00 135.94 3m01 s PRO 389 Ca 0.17 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 3m01 s PRO 389 Cb -0.25 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3m01 s PRO 389 CO -0.00 -1.96 1.07 -1.25 0.04 0.00 0.00 177.00 174.90 3m01 s PRO 390 N -4.98 2.58 0.22 0.56 0.04 -1.26 -4.65 135.00 127.52 3m01 s PRO 390 Ca 0.62 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 3m01 s PRO 390 Cb -0.17 -1.95 0.29 0.00 0.04 0.00 0.00 34.50 32.72 3m01 s PRO 390 CO 0.56 -1.36 1.62 0.28 0.04 0.00 0.00 177.00 178.14 3m01 h VAL 391 N -0.92 0.32 -0.06 -0.36 2.07 -1.95 -0.16 116.25 115.20 3m01 h VAL 391 Ca -0.44 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3m01 h VAL 391 Cb 1.22 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3m01 h VAL 391 CO 0.55 0.00 -0.46 -1.28 0.02 0.00 0.00 177.57 176.40 3m01 h SER 392 N 0.01 -1.43 -0.90 0.57 0.87 -1.98 -0.46 113.55 110.24 3m01 h SER 392 Ca 0.34 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 3m01 h SER 392 Cb 0.53 0.56 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 3m01 h SER 392 CO -0.70 -0.47 0.48 -0.08 -0.53 0.00 0.00 176.83 175.54 3m01 h GLU 393 N -0.58 1.25 0.18 2.24 4.81 -1.74 -2.18 114.58 118.57 3m01 h GLU 393 Ca 0.05 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3m01 h GLU 393 Cb 0.67 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3m01 h GLU 393 CO -0.37 0.92 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.58 3m01 h TYR 394 N 1.26 -0.92 -0.31 0.92 3.20 -0.35 -2.25 116.97 118.52 3m01 h TYR 394 Ca 0.31 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3m01 h TYR 394 Cb 0.04 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3m01 h TYR 394 CO 0.01 -0.45 0.15 -0.07 -1.64 0.00 0.00 178.16 176.16 3m01 h LEU 395 N -0.60 0.38 -2.29 2.82 3.38 -0.97 0.41 115.31 118.44 3m01 h LEU 395 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3m01 h LEU 395 Cb 0.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3m01 h LEU 395 CO -0.16 0.33 0.17 0.77 0.09 0.00 0.00 178.44 179.64 3m01 h SER 396 N 0.44 0.00 0.00 -0.43 4.64 -0.77 -2.09 113.55 115.33 3m01 h SER 396 Ca 0.11 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.13 3m01 h SER 396 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3m01 h SER 396 CO -0.02 0.00 -2.04 -3.20 -0.87 0.00 0.00 176.83 170.70 3m01 n ASN 397 N -3.72 1.78 0.31 4.97 5.15 -0.34 -4.67 115.26 118.73 3m01 n ASN 397 Ca 0.01 0.12 0.20 0.00 -0.60 0.00 0.00 54.58 54.30 3m01 n ASN 397 Cb 0.28 -0.46 0.92 0.00 -0.53 0.00 0.00 39.78 40.00 3m01 n ASN 397 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m01 h ALA 398 N -0.45 1.00 -0.14 5.20 0.00 -0.19 -3.10 119.26 121.59 3m01 h ALA 398 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3m01 h ALA 398 Cb 1.49 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3m01 h ALA 398 CO -0.21 0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 178.96 3m01 h LEU 399 N 0.00 0.25 -1.28 0.00 3.38 -1.60 -3.08 115.31 112.99 3m01 h LEU 399 Ca -0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3m01 h LEU 399 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3m01 h LEU 399 CO 0.00 0.52 -0.31 0.00 0.09 0.00 0.00 178.44 178.75 3m01 h ALA 400 N 0.74 1.40 0.00 1.53 0.00 -1.80 -2.58 119.26 118.55 3m01 h ALA 400 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3m01 h ALA 400 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3m01 h ALA 400 CO 0.01 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.95 3m01 n THR 401 N -4.15 0.66 0.19 0.00 -2.24 -1.16 -0.63 114.28 106.95 3m01 n THR 401 Ca -0.02 0.16 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 3m01 n THR 401 Cb 0.37 -0.96 0.34 0.00 -2.10 0.00 0.00 70.33 67.99 3m01 n THR 401 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3m01 h THR 402 N 0.00 0.85 0.00 4.28 1.35 -1.47 -3.46 112.91 114.46 3m01 h THR 402 Ca 0.00 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3m01 h THR 402 Cb 0.12 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3m01 h THR 402 CO 0.00 0.36 0.00 0.35 -0.25 0.00 0.00 175.52 175.98 3m01 n THR 403 N -3.52 0.00 -0.29 6.82 -2.24 0.20 -4.96 114.28 110.29 3m01 n THR 403 Ca -0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3m01 n THR 403 Cb 0.51 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.80 3m01 n THR 403 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3m01 h TYR 404 N 0.00 1.22 -0.95 4.78 -1.99 -1.81 0.17 116.97 118.38 3m01 h TYR 404 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3m01 h TYR 404 Cb 0.00 -0.36 -0.05 0.00 2.00 0.00 0.00 36.73 38.32 3m01 h TYR 404 CO 0.00 0.93 0.61 1.88 -0.00 0.00 0.00 178.16 181.59 3m01 h TYR 405 N 1.16 1.21 -0.25 4.88 0.05 -1.87 -0.88 116.97 121.26 3m01 h TYR 405 Ca 0.26 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 3m01 h TYR 405 Cb 0.25 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3m01 h TYR 405 CO 0.02 0.78 -0.05 -0.92 -1.05 0.00 0.00 178.16 176.94 3m01 h TYR 406 N 1.30 0.54 -0.37 4.88 3.20 -1.71 -1.81 116.97 122.99 3m01 h TYR 406 Ca 0.35 -0.11 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 3m01 h TYR 406 Cb -0.12 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3m01 h TYR 406 CO -0.00 0.69 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.79 3m01 h LEU 407 N 0.23 0.90 -0.55 2.82 3.38 -0.45 0.19 115.31 121.83 3m01 h LEU 407 Ca 0.07 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3m01 h LEU 407 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3m01 h LEU 407 CO 0.02 1.15 0.25 0.00 0.09 0.00 0.00 178.44 179.96 3m01 h ALA 408 N 0.89 0.70 -0.32 1.53 0.00 -1.18 0.18 119.26 121.06 3m01 h ALA 408 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3m01 h ALA 408 Cb 0.91 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3m01 h ALA 408 CO 0.08 0.28 0.06 1.15 0.00 0.00 0.00 179.25 180.82 3m01 h THR 409 N 0.74 1.23 0.00 0.00 2.02 -1.08 -2.60 112.91 113.21 3m01 h THR 409 Ca 0.19 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3m01 h THR 409 Cb 0.14 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3m01 h THR 409 CO -0.02 0.26 -0.04 0.74 0.37 0.00 0.00 175.52 176.84 3m01 h THR 410 N 0.36 0.93 0.00 3.16 2.02 -0.18 -2.10 112.91 117.10 3m01 h THR 410 Ca 0.10 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3m01 h THR 410 Cb 0.34 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3m01 h THR 410 CO 0.01 0.04 -0.00 0.77 0.37 0.00 0.00 175.52 176.70 3m01 h SER 411 N 0.00 0.00 1.10 4.18 4.64 -0.25 -2.82 113.55 120.39 3m01 h SER 411 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3m01 h SER 411 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 3m01 h SER 411 CO 0.00 0.00 -0.87 1.88 -0.87 0.00 0.00 176.83 176.98 3m01 h TYR 412 N 0.00 0.00 -0.78 4.77 -1.99 -1.38 -3.37 116.97 114.22 3m01 h TYR 412 Ca -0.00 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.87 3m01 h TYR 412 Cb 0.50 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.09 3m01 h TYR 412 CO 0.00 0.87 -0.31 -0.07 -0.00 0.00 0.00 178.16 178.65 3m01 h LEU 413 N 0.00 -1.10 0.00 3.88 3.38 -1.56 0.03 115.31 119.94 3m01 h LEU 413 Ca -0.01 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3m01 h LEU 413 Cb 1.65 0.60 0.00 0.00 0.09 0.00 0.00 40.66 43.01 3m01 h LEU 413 CO 0.11 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.96 3m01 n GLY 414 N -1.48 -1.47 3.60 0.83 0.00 -1.26 -4.77 105.19 100.64 3m01 n GLY 414 Ca 0.09 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3m01 n GLY 414 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m01 s MET 415 N -2.95 3.63 0.29 1.61 -1.94 -0.01 -4.01 119.30 115.92 3m01 s MET 415 Ca 0.15 0.65 0.03 0.00 -1.71 0.00 0.00 55.69 54.82 3m01 s MET 415 Cb 0.19 -3.97 0.75 0.00 2.01 0.00 0.00 34.83 33.81 3m01 s MET 415 CO 0.52 -1.51 1.64 0.87 -0.01 0.00 0.00 175.02 176.53 3m01 h LYS 416 N 9.88 0.19 0.00 2.03 1.57 -1.86 0.18 116.57 128.57 3m01 h LYS 416 Ca -0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3m01 h LYS 416 Cb 1.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3m01 h LYS 416 CO 1.12 0.13 0.00 0.43 -0.57 0.00 0.00 179.45 180.56 3m01 n SER 417 N -5.23 0.05 -4.76 0.86 7.64 -1.26 -4.84 113.62 106.08 3m01 n SER 417 Ca 0.22 0.51 -0.41 0.00 1.01 0.00 0.00 58.87 60.20 3m01 n SER 417 Cb 0.72 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 3m01 n SER 417 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m01 s ALA 418 N -3.02 3.64 0.34 -0.43 0.00 0.05 -5.01 121.76 117.34 3m01 s ALA 418 Ca 0.10 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.56 3m01 s ALA 418 Cb 0.13 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3m01 s ALA 418 CO 0.38 -0.88 0.05 0.95 0.00 0.00 0.00 175.76 176.25 3m01 s THR 419 N -0.40 1.37 0.38 0.00 -4.23 -1.26 -5.04 115.64 106.46 3m01 s THR 419 Ca 0.58 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 3m01 s THR 419 Cb -0.45 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 70.85 3m01 s THR 419 CO 0.51 -0.01 2.00 -0.33 -0.54 0.00 0.00 174.62 176.24 3m01 h GLU 420 N 2.05 0.68 -0.70 3.99 4.39 -2.00 -1.96 114.58 121.03 3m01 h GLU 420 Ca -0.41 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 3m01 h GLU 420 Cb 1.24 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 3m01 h GLU 420 CO 0.72 0.45 0.36 1.96 -1.16 0.00 0.00 179.01 181.34 3m01 h GLN 421 N 0.70 0.98 -0.00 2.33 1.08 -1.98 0.25 115.11 118.47 3m01 h GLN 421 Ca 0.25 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3m01 h GLN 421 Cb 0.13 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3m01 h GLN 421 CO -0.07 0.74 0.00 -0.44 -0.95 0.00 0.00 178.83 178.11 3m01 h ASP 422 N 0.99 0.00 -0.67 1.46 3.32 -1.77 -0.47 116.42 119.28 3m01 h ASP 422 Ca 0.25 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3m01 h ASP 422 Cb 0.06 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3m01 h ASP 422 CO -0.04 0.30 0.39 -0.26 -1.72 0.00 0.00 179.24 177.92 3m01 h PHE 423 N -0.29 0.91 -0.04 4.55 0.04 -1.24 -0.61 116.94 120.26 3m01 h PHE 423 Ca 0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3m01 h PHE 423 Cb 0.30 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3m01 h PHE 423 CO 0.03 0.62 -0.08 1.49 -0.60 0.00 0.00 178.31 179.76 3m01 h GLU 424 N 0.95 -0.12 -0.81 1.51 4.57 -0.25 0.16 114.58 120.59 3m01 h GLU 424 Ca 0.25 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 3m01 h GLU 424 Cb -0.01 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3m01 h GLU 424 CO -0.04 -0.08 0.53 2.35 -1.18 0.00 0.00 179.01 180.58 3m01 h TRP 425 N -0.13 0.99 -0.11 0.92 7.01 -0.40 -2.48 115.95 121.77 3m01 h TRP 425 Ca 0.05 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 3m01 h TRP 425 Cb 0.19 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 3m01 h TRP 425 CO -0.17 0.59 -0.32 1.25 -2.79 0.00 0.00 178.44 177.01 3m01 h LEU 426 N 1.05 0.21 -1.59 0.65 5.85 -0.35 -2.84 115.31 118.28 3m01 h LEU 426 Ca 0.31 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3m01 h LEU 426 Cb -0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3m01 h LEU 426 CO -0.09 0.53 -0.19 0.77 -0.34 0.00 0.00 178.44 179.11 3m01 h SER 427 N 0.18 0.00 -0.05 1.25 4.64 -0.22 -2.43 113.55 116.92 3m01 h SER 427 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3m01 h SER 427 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3m01 h SER 427 CO 0.05 0.19 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 3m01 n LYS 428 N -3.67 1.13 -3.48 4.77 5.02 -1.07 -4.92 118.16 115.94 3m01 n LYS 428 Ca -0.01 -0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 55.93 3m01 n LYS 428 Cb 0.32 -1.10 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 3m01 n LYS 428 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m01 n ASN 429 N -0.31 -6.12 -4.67 4.39 3.02 -0.91 -4.93 115.26 105.73 3m01 n ASN 429 Ca 0.02 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.59 3m01 n ASN 429 Cb 0.07 -3.52 0.13 0.00 -0.61 0.00 0.00 39.78 35.85 3m01 n ASN 429 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3m01 n PRO 430 N -2.69 0.17 -0.11 3.52 -0.02 -1.26 -4.68 135.00 129.94 3m01 n PRO 430 Ca -0.14 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 3m01 n PRO 430 Cb 0.59 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3m01 n PRO 430 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3m01 h LYS 431 N -0.90 -0.34 -0.99 -0.52 1.79 -1.97 -1.32 116.57 112.32 3m01 h LYS 431 Ca -0.46 0.02 0.21 0.00 -2.18 0.00 0.00 60.65 58.24 3m01 h LYS 431 Cb 1.30 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.92 3m01 h LYS 431 CO 0.45 -0.23 0.58 0.97 -1.08 0.00 0.00 179.45 180.15 3m01 h ILE 432 N -0.36 0.63 -0.20 1.86 2.10 -1.91 0.66 117.51 120.30 3m01 h ILE 432 Ca 0.12 -0.23 -0.12 0.00 1.08 0.00 0.00 64.86 65.71 3m01 h ILE 432 Cb 0.59 -0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.22 3m01 h ILE 432 CO -0.55 0.12 -0.34 0.25 -1.08 0.00 0.00 178.15 176.56 3m01 h LEU 433 N 0.67 0.65 -0.45 2.19 5.85 -1.69 -2.39 115.31 120.14 3m01 h LEU 433 Ca 0.60 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3m01 h LEU 433 Cb 1.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3m01 h LEU 433 CO -0.42 1.05 0.18 -0.08 -0.34 0.00 0.00 178.44 178.83 3m01 h GLU 434 N 0.26 0.35 -0.71 1.25 4.57 -0.04 0.33 114.58 120.58 3m01 h GLU 434 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3m01 h GLU 434 Cb 0.93 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 3m01 h GLU 434 CO 0.08 0.23 0.45 0.00 -1.18 0.00 0.00 179.01 178.58 3m01 h ALA 435 N 1.28 0.90 -0.66 2.92 0.00 -0.91 0.20 119.26 122.99 3m01 h ALA 435 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3m01 h ALA 435 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3m01 h ALA 435 CO -0.19 0.36 0.22 1.03 0.00 0.00 0.00 179.25 180.67 3m01 h SER 436 N 0.97 0.92 -0.33 0.00 0.87 -0.83 -1.26 113.55 113.89 3m01 h SER 436 Ca 0.26 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 3m01 h SER 436 Cb -0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3m01 h SER 436 CO -0.05 0.85 -0.32 0.58 -0.53 0.00 0.00 176.83 177.36 3m01 h VAL 437 N 0.97 1.29 -0.09 2.23 2.07 -0.03 -2.62 116.25 120.06 3m01 h VAL 437 Ca 0.22 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3m01 h VAL 437 Cb 0.25 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3m01 h VAL 437 CO -0.01 0.49 0.04 0.40 0.02 0.00 0.00 177.57 178.51 3m01 h ILE 438 N 0.57 1.00 -0.56 4.57 2.04 -0.36 -1.36 117.51 123.42 3m01 h ILE 438 Ca 0.05 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3m01 h ILE 438 Cb 0.90 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 3m01 h ILE 438 CO 0.08 0.02 0.05 0.40 0.00 0.00 0.00 178.15 178.70 3m01 h ILE 439 N 0.10 0.60 -0.23 -0.67 2.04 -1.19 0.62 117.51 118.78 3m01 h ILE 439 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3m01 h ILE 439 Cb 0.00 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3m01 h ILE 439 CO -0.02 0.03 0.11 0.00 0.00 0.00 0.00 178.15 178.27 3m01 h ARG 441 N 0.24 -0.21 -0.59 0.00 9.65 -0.26 -1.25 114.38 121.96 3m01 h ARG 441 Ca 0.08 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3m01 h ARG 441 Cb 0.11 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3m01 h ARG 441 CO -0.01 0.00 0.33 0.28 2.80 0.00 0.00 179.97 183.37 3m01 h VAL 442 N -0.38 1.18 0.19 0.20 2.07 0.22 -1.02 116.25 118.70 3m01 h VAL 442 Ca -0.02 -0.43 -0.32 0.00 0.82 0.00 0.00 66.70 66.75 3m01 h VAL 442 Cb 0.30 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3m01 h VAL 442 CO 0.04 0.19 -1.51 0.40 0.02 0.00 0.00 177.57 176.70 3m01 h ILE 443 N 0.81 1.22 -0.16 4.57 2.04 -1.20 -2.59 117.51 122.20 3m01 h ILE 443 Ca 0.21 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.33 3m01 h ILE 443 Cb 0.01 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3m01 h ILE 443 CO -0.04 0.84 0.10 -0.78 0.00 0.00 0.00 178.15 178.27 3m01 h ASP 444 N 0.11 0.16 -0.48 1.72 1.82 -1.13 -1.04 116.42 117.58 3m01 h ASP 444 Ca -0.25 -0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.46 3m01 h ASP 444 Cb 2.09 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 42.00 3m01 h ASP 444 CO 0.22 0.12 0.11 0.44 -1.61 0.00 0.00 179.24 178.52 3m01 h ASP 445 N 0.20 0.04 -0.24 2.28 5.19 -1.24 0.28 116.42 122.93 3m01 h ASP 445 Ca 0.06 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3m01 h ASP 445 Cb -0.01 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 3m01 h ASP 445 CO -0.02 0.05 0.12 0.74 -3.12 0.00 0.00 179.24 177.01 3m01 h THR 446 N 0.26 1.14 -0.02 0.35 2.02 -1.17 -2.23 112.91 113.25 3m01 h THR 446 Ca 0.24 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3m01 h THR 446 Cb 0.30 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3m01 h THR 446 CO -0.30 0.14 -0.47 0.00 0.37 0.00 0.00 175.52 175.26 3m01 h ALA 447 N 0.98 1.17 -0.51 6.16 0.00 -0.67 -3.18 119.26 123.22 3m01 h ALA 447 Ca 0.08 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 3m01 h ALA 447 Cb 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3m01 h ALA 447 CO -0.01 0.60 0.12 0.25 0.00 0.00 0.00 179.25 180.21 3m01 n THR 448 N -3.98 2.66 -0.04 0.00 -2.24 0.95 -4.63 114.28 106.99 3m01 n THR 448 Ca -0.02 -1.97 -0.14 0.00 -2.27 0.00 0.00 64.05 59.66 3m01 n THR 448 Cb 0.50 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 3m01 n THR 448 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3m01 h TYR 449 N 2.00 0.36 0.28 4.78 3.20 -1.38 -3.32 116.97 122.89 3m01 h TYR 449 Ca 0.18 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3m01 h TYR 449 Cb 1.92 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 40.09 3m01 h TYR 449 CO 0.99 0.78 -0.40 0.93 -1.64 0.00 0.00 178.16 178.83 3m01 h GLU 450 N -0.17 -0.71 -7.22 1.82 4.39 -1.84 -3.10 114.58 107.74 3m01 h GLU 450 Ca 0.00 0.05 -0.41 0.00 0.34 0.00 0.00 59.36 59.34 3m01 h GLU 450 Cb 0.76 0.16 0.20 0.00 -0.10 0.00 0.00 28.75 29.78 3m01 h GLU 450 CO 0.04 -0.47 0.03 0.08 -1.16 0.00 0.00 179.01 177.53 3m01 s VAL 451 N -5.95 1.58 0.00 3.13 1.01 -1.25 -1.86 120.40 117.06 3m01 s VAL 451 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3m01 s VAL 451 Cb 0.06 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3m01 s VAL 451 CO 0.63 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 175.11 3m01 n GLU 452 N -5.03 0.00 0.12 2.72 1.02 -1.26 -4.16 120.64 114.05 3m01 n GLU 452 Ca 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 3m01 n GLU 452 Cb 0.58 -0.02 -0.08 0.00 -0.02 0.00 0.00 31.44 31.90 3m01 n GLU 452 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3m01 h LYS 453 N 0.00 -0.28 -2.84 3.49 3.64 -1.43 -2.40 116.57 116.76 3m01 h LYS 453 Ca 0.00 0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.79 3m01 h LYS 453 Cb 0.00 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3m01 h LYS 453 CO 0.00 0.01 3.20 0.43 -2.27 0.00 0.00 179.45 180.81 3m01 n SER 454 N -5.10 8.26 0.00 4.20 7.64 -0.78 -4.57 113.62 123.28 3m01 n SER 454 Ca -0.09 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.19 3m01 n SER 454 Cb 0.22 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 3m01 n SER 454 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3m01 n ARG 455 N 3.30 -1.09 0.00 1.43 0.63 -0.90 -4.93 116.66 115.10 3m01 n ARG 455 Ca 0.73 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3m01 n ARG 455 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 3m01 n ARG 455 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m01 n GLY 456 N -0.03 -2.84 0.00 5.14 0.00 -1.24 -4.65 105.19 101.57 3m01 n GLY 456 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3m01 n GLY 456 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m01 n GLN 457 N -1.87 0.00 -0.21 1.61 6.02 -1.23 -4.70 117.38 117.00 3m01 n GLN 457 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3m01 n GLN 457 Cb 0.00 0.00 0.26 0.00 1.02 0.00 0.00 30.24 31.52 3m01 n GLN 457 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3m01 n ILE 458 N 0.00 0.54 -0.17 5.09 -6.64 -1.26 -4.01 119.36 112.91 3m01 n ILE 458 Ca 0.00 -0.70 0.10 0.00 -1.77 0.00 0.00 62.75 60.38 3m01 n ILE 458 Cb 0.00 0.70 0.30 0.00 -1.44 0.00 0.00 39.64 39.20 3m01 n ILE 458 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3m01 n ALA 459 N 1.23 2.54 -1.58 -1.28 0.00 -1.26 -4.64 120.51 115.51 3m01 n ALA 459 Ca 0.19 -1.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.05 3m01 n ALA 459 Cb 0.53 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 19.09 3m01 n ALA 459 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3m01 n THR 460 N 1.35 4.08 -0.15 0.00 -2.24 -1.26 -4.71 114.28 111.36 3m01 n THR 460 Ca 0.22 -0.45 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3m01 n THR 460 Cb 0.62 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3m01 n THR 460 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3m01 h GLY 461 N 0.22 -0.07 0.84 3.38 0.00 -1.94 -1.63 103.07 103.87 3m01 h GLY 461 Ca -0.49 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.25 3m01 h GLY 461 CO 0.51 -0.21 0.65 -2.22 0.00 0.00 0.00 176.54 175.27 3m01 h ILE 462 N -0.18 1.14 0.68 2.60 1.08 -1.91 0.03 117.51 120.96 3m01 h ILE 462 Ca 0.21 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3m01 h ILE 462 Cb 0.52 -0.19 0.01 0.00 -3.07 0.00 0.00 36.82 34.08 3m01 h ILE 462 CO -0.57 0.22 -0.33 -0.08 -0.69 0.00 0.00 178.15 176.70 3m01 h GLU 463 N 1.23 -0.88 -0.72 2.37 4.57 -1.66 0.13 114.58 119.61 3m01 h GLU 463 Ca 0.41 0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.78 3m01 h GLU 463 Cb 0.06 0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 3m01 h GLU 463 CO -0.14 -0.57 0.27 0.00 -1.18 0.00 0.00 179.01 177.39 3m01 h MET 466 N 0.93 -0.14 0.52 0.00 2.07 0.11 -2.00 114.93 116.42 3m01 h MET 466 Ca 0.25 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.86 3m01 h MET 466 Cb -0.07 0.03 0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3m01 h MET 466 CO -0.05 0.11 -0.25 -0.09 1.07 0.00 0.00 176.91 177.70 3m01 h ARG 467 N -0.39 -0.67 -0.24 1.72 2.43 -0.82 0.84 114.38 117.25 3m01 h ARG 467 Ca -0.02 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3m01 h ARG 467 Cb 0.32 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 3m01 h ARG 467 CO 0.03 -0.43 -0.51 0.22 -1.51 0.00 0.00 179.97 177.76 3m01 h ASP 468 N -0.73 -1.66 0.58 -3.80 1.82 -0.51 -2.63 116.42 109.49 3m01 h ASP 468 Ca -0.07 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 3m01 h ASP 468 Cb 0.55 0.67 0.00 0.00 0.68 0.00 0.00 39.33 41.23 3m01 h ASP 468 CO 0.12 -0.44 -0.34 -1.22 -1.61 0.00 0.00 179.24 175.75 3m01 n TYR 469 N -5.42 0.00 -3.21 0.28 4.02 -0.75 -4.97 117.16 107.11 3m01 n TYR 469 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.70 3m01 n TYR 469 Cb 0.37 -0.29 0.08 0.00 -0.02 0.00 0.00 39.34 39.47 3m01 n TYR 469 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m01 n GLY 470 N 1.47 -0.39 3.33 2.72 0.00 0.29 -5.03 105.19 107.57 3m01 n GLY 470 Ca 0.07 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3m01 n GLY 470 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3m01 s ILE 471 N -3.32 1.11 0.95 -0.61 -4.36 -0.83 -5.04 121.20 109.10 3m01 s ILE 471 Ca 0.08 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.30 3m01 s ILE 471 Cb -0.01 -2.27 0.16 0.00 1.25 0.00 0.00 42.46 41.58 3m01 s ILE 471 CO 0.64 -0.39 1.10 -0.94 0.24 0.00 0.00 174.94 175.59 3m01 s SER 472 N -3.30 3.10 0.19 4.36 1.04 -1.26 -4.54 113.70 113.30 3m01 s SER 472 Ca 0.27 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 3m01 s SER 472 Cb 0.05 -1.88 0.13 0.00 0.10 0.00 0.00 66.02 64.41 3m01 s SER 472 CO 0.08 -2.84 1.83 0.74 0.98 0.00 0.00 173.24 174.03 3m01 h THR 473 N -1.69 1.09 -0.08 2.02 2.02 -1.98 -0.57 112.91 113.72 3m01 h THR 473 Ca -0.52 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3m01 h THR 473 Cb 1.31 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3m01 h THR 473 CO 0.58 0.13 -0.39 0.50 0.37 0.00 0.00 175.52 176.72 3m01 h LYS 474 N 0.74 -0.47 -0.91 6.66 3.64 -1.99 0.43 116.57 124.66 3m01 h LYS 474 Ca 0.23 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3m01 h LYS 474 Cb -0.01 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3m01 h LYS 474 CO -0.09 -0.32 0.58 0.93 -2.27 0.00 0.00 179.45 178.29 3m01 h GLU 475 N -0.49 1.21 -0.68 1.90 5.08 -1.83 -1.31 114.58 118.45 3m01 h GLU 475 Ca 0.07 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3m01 h GLU 475 Cb 0.61 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3m01 h GLU 475 CO -0.35 0.82 0.19 0.00 -1.00 0.00 0.00 179.01 178.67 3m01 h ALA 476 N 1.40 0.89 -0.06 3.43 0.00 -0.43 0.36 119.26 124.85 3m01 h ALA 476 Ca 0.33 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3m01 h ALA 476 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3m01 h ALA 476 CO -0.07 0.59 -0.48 0.52 0.00 0.00 0.00 179.25 179.81 3m01 h MET 477 N 1.01 0.14 -0.41 0.00 2.86 -0.53 -1.27 114.93 116.71 3m01 h MET 477 Ca 0.22 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 3m01 h MET 477 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3m01 h MET 477 CO -0.00 0.60 -0.20 0.00 1.06 0.00 0.00 176.91 178.36 3m01 h ALA 478 N 1.39 0.58 -0.75 6.32 0.00 -0.59 0.20 119.26 126.41 3m01 h ALA 478 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3m01 h ALA 478 Cb 0.90 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3m01 h ALA 478 CO 0.07 0.55 0.24 -0.22 0.00 0.00 0.00 179.25 179.89 3m01 h LYS 479 N 0.69 1.17 -0.25 0.00 3.64 -0.63 -1.84 116.57 119.35 3m01 h LYS 479 Ca 0.09 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 3m01 h LYS 479 Cb 0.77 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3m01 h LYS 479 CO 0.06 0.99 -0.29 0.74 -2.27 0.00 0.00 179.45 178.68 3m01 h PHE 480 N 1.12 0.57 -0.79 1.91 -1.00 -1.04 -2.44 116.94 115.28 3m01 h PHE 480 Ca 0.24 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.89 3m01 h PHE 480 Cb 0.31 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 3m01 h PHE 480 CO 0.03 0.74 0.50 0.37 -1.61 0.00 0.00 178.31 178.34 3m01 h GLN 481 N 0.43 1.05 0.00 1.51 5.75 -0.24 -1.93 115.11 121.69 3m01 h GLN 481 Ca 0.06 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 3m01 h GLN 481 Cb 0.73 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3m01 h GLN 481 CO 0.06 0.72 -0.42 -0.91 -2.65 0.00 0.00 178.83 175.63 3m01 h ASN 482 N 1.07 0.00 -0.37 -0.69 2.35 -1.08 -1.26 115.58 115.60 3m01 h ASN 482 Ca 0.29 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3m01 h ASN 482 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3m01 h ASN 482 CO -0.06 0.42 0.10 0.24 -1.65 0.00 0.00 177.43 176.48 3m01 h MET 483 N 0.00 0.58 -0.72 0.81 2.86 -0.90 0.28 114.93 117.85 3m01 h MET 483 Ca -0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 3m01 h MET 483 Cb 0.88 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3m01 h MET 483 CO 0.05 0.61 0.29 0.00 1.06 0.00 0.00 176.91 178.92 3m01 h ALA 484 N 0.94 1.16 -0.21 6.32 0.00 -1.07 0.18 119.26 126.59 3m01 h ALA 484 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3m01 h ALA 484 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m01 h ALA 484 CO -0.00 0.61 0.07 1.49 0.00 0.00 0.00 179.25 181.41 3m01 h GLU 485 N 1.03 0.32 -0.71 0.00 4.57 -0.71 -0.51 114.58 118.57 3m01 h GLU 485 Ca 0.24 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3m01 h GLU 485 Cb 0.19 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 3m01 h GLU 485 CO -0.02 0.41 0.47 1.15 -1.18 0.00 0.00 179.01 179.84 3m01 h THR 486 N 0.16 1.16 -0.64 0.32 2.02 -0.07 -2.15 112.91 113.72 3m01 h THR 486 Ca 0.07 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.95 3m01 h THR 486 Cb 0.23 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 3m01 h THR 486 CO -0.00 0.17 0.39 0.00 0.37 0.00 0.00 175.52 176.45 3m01 h ALA 487 N 1.27 0.83 -0.70 6.16 0.00 -0.28 -0.46 119.26 126.08 3m01 h ALA 487 Ca 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3m01 h ALA 487 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3m01 h ALA 487 CO -0.07 0.14 0.15 -1.49 0.00 0.00 0.00 179.25 177.98 3m01 h TRP 488 N 0.76 1.18 -0.83 0.00 4.06 -0.65 -0.26 115.95 120.20 3m01 h TRP 488 Ca 0.26 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 3m01 h TRP 488 Cb 0.03 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 27.82 3m01 h TRP 488 CO -0.05 0.96 0.38 0.87 -3.56 0.00 0.00 178.44 177.04 3m01 h LYS 489 N 1.06 1.22 -0.68 0.49 1.57 -0.85 -0.42 116.57 118.95 3m01 h LYS 489 Ca 0.22 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3m01 h LYS 489 Cb 0.39 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3m01 h LYS 489 CO 0.00 0.95 0.18 -0.44 -0.57 0.00 0.00 179.45 179.58 3m01 h ASP 490 N 1.20 1.00 -0.41 0.86 3.32 -0.45 -0.85 116.42 121.08 3m01 h ASP 490 Ca 0.28 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3m01 h ASP 490 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3m01 h ASP 490 CO -0.03 0.95 0.12 0.40 -1.72 0.00 0.00 179.24 178.95 3m01 h ILE 491 N 1.01 1.22 -0.35 0.35 2.04 -0.36 -0.11 117.51 121.32 3m01 h ILE 491 Ca 0.22 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 3m01 h ILE 491 Cb 0.33 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3m01 h ILE 491 CO -0.00 0.26 0.08 0.78 0.00 0.00 0.00 178.15 179.27 3m01 h ASN 492 N 0.53 0.47 -0.18 1.72 2.35 -0.77 -2.28 115.58 117.42 3m01 h ASN 492 Ca 0.13 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3m01 h ASN 492 Cb 0.28 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3m01 h ASN 492 CO -0.00 0.47 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.16 3m01 h GLU 493 N 0.50 0.32 0.00 0.81 4.81 -0.63 -2.89 114.58 117.51 3m01 h GLU 493 Ca 0.12 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3m01 h GLU 493 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3m01 h GLU 493 CO -0.00 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 3m01 n GLY 494 N -0.27 -0.34 0.22 1.92 0.00 -0.10 -1.78 105.19 104.84 3m01 n GLY 494 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3m01 n GLY 494 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m01 n LEU 495 N -0.84 1.33 -4.75 0.99 4.77 -1.09 -4.89 117.00 112.53 3m01 n LEU 495 Ca 0.06 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.99 3m01 n LEU 495 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3m01 n LEU 495 CO 0.04 0.28 0.71 -0.76 -1.33 0.00 0.00 177.39 176.32 3m01 s LEU 496 N -2.51 4.57 0.40 2.23 1.43 -0.73 -3.84 118.68 120.23 3m01 s LEU 496 Ca 0.11 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 3m01 s LEU 496 Cb 0.14 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 3m01 s LEU 496 CO 0.59 -0.01 1.26 -0.13 0.23 0.00 0.00 176.35 178.29 3m01 s ARG 497 N -0.85 3.98 0.25 1.70 3.00 -0.32 -3.77 118.95 122.95 3m01 s ARG 497 Ca 0.44 2.06 -0.28 0.00 0.00 0.00 0.00 55.73 57.96 3m01 s ARG 497 Cb -0.27 -2.73 -0.09 0.00 0.00 0.00 0.00 34.95 31.86 3m01 s ARG 497 CO 0.34 -0.45 0.90 -2.14 0.00 0.00 0.00 175.30 173.96 3m01 s PRO 498 N -2.26 4.72 -0.04 3.54 0.02 -1.26 -4.88 135.00 134.84 3m01 s PRO 498 Ca 0.57 1.37 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 3m01 s PRO 498 Cb -0.36 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3m01 s PRO 498 CO 0.46 0.46 0.30 0.95 -0.33 0.00 0.00 177.00 178.84 3m01 s THR 499 N -1.30 5.23 0.51 0.99 -4.23 -1.25 -4.98 115.64 110.61 3m01 s THR 499 Ca 0.42 0.55 0.23 0.00 -1.18 0.00 0.00 61.69 61.71 3m01 s THR 499 Cb -0.23 -3.58 0.38 0.00 1.34 0.00 0.00 72.50 70.40 3m01 s THR 499 CO 0.29 0.57 2.00 1.55 -0.54 0.00 0.00 174.62 178.49 3m01 h PRO 500 N 4.71 0.07 -4.84 3.99 0.13 -1.90 -3.43 132.00 130.74 3m01 h PRO 500 Ca -0.53 -0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.21 3m01 h PRO 500 Cb 1.22 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3m01 h PRO 500 CO 0.61 0.04 -0.56 0.14 -0.23 0.00 0.00 178.00 178.00 3m01 s VAL 501 N -5.08 0.25 0.37 1.56 -7.23 -1.26 -5.09 120.40 103.92 3m01 s VAL 501 Ca -0.05 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.84 3m01 s VAL 501 Cb 0.20 -2.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 3m01 s VAL 501 CO 0.73 0.00 1.36 -0.55 -0.31 0.00 0.00 175.10 176.33 3m01 s SER 502 N -3.33 6.48 0.48 4.85 0.15 -1.26 -4.87 113.70 116.19 3m01 s SER 502 Ca 0.37 2.80 0.27 0.00 0.70 0.00 0.00 55.95 60.09 3m01 s SER 502 Cb 0.05 -2.65 1.33 0.00 -1.71 0.00 0.00 66.02 63.04 3m01 s SER 502 CO 0.18 -0.75 1.82 0.74 1.20 0.00 0.00 173.24 176.43 3m01 h THR 503 N 2.83 0.51 -0.07 6.45 2.02 -1.98 0.30 112.91 122.97 3m01 h THR 503 Ca -0.50 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3m01 h THR 503 Cb 1.24 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3m01 h THR 503 CO 0.64 0.03 0.24 -0.08 0.37 0.00 0.00 175.52 176.73 3m01 h GLU 504 N 0.18 0.00 -0.07 6.66 4.81 -2.02 0.44 114.58 124.58 3m01 h GLU 504 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3m01 h GLU 504 Cb 1.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.12 3m01 h GLU 504 CO -0.13 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.34 3m01 n PHE 505 N -3.17 0.06 -0.08 0.92 3.72 0.10 -4.35 117.46 114.66 3m01 n PHE 505 Ca -0.01 -0.04 -0.21 0.00 -0.05 0.00 0.00 57.45 57.14 3m01 n PHE 505 Cb 0.32 -0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.74 3m01 n PHE 505 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3m01 n LEU 506 N 1.08 2.64 -0.34 4.37 4.77 0.10 -4.43 117.00 125.19 3m01 n LEU 506 Ca 0.12 0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.37 3m01 n LEU 506 Cb 0.48 -0.98 0.39 0.00 -2.33 0.00 0.00 43.42 40.98 3m01 n LEU 506 CO 0.12 0.81 1.15 0.74 -1.33 0.00 0.00 177.39 178.88 3m01 h THR 507 N -0.18 0.51 -0.45 -5.08 2.02 -1.63 0.21 112.91 108.31 3m01 h THR 507 Ca -0.52 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 3m01 h THR 507 Cb 1.86 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3m01 h THR 507 CO -0.07 0.10 0.13 -0.65 0.37 0.00 0.00 175.52 175.39 3m01 h PRO 508 N 0.55 0.67 -0.31 6.66 0.11 -1.79 0.36 132.00 138.25 3m01 h PRO 508 Ca 0.65 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.53 3m01 h PRO 508 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3m01 h PRO 508 CO -0.49 0.60 -0.27 0.82 -0.21 0.00 0.00 178.00 178.44 3m01 h ILE 509 N 0.65 1.30 0.14 4.15 2.04 -0.87 -0.97 117.51 123.96 3m01 h ILE 509 Ca 0.15 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 3m01 h ILE 509 Cb 0.22 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3m01 h ILE 509 CO -0.01 0.46 -0.09 0.25 0.00 0.00 0.00 178.15 178.77 3m01 h LEU 510 N 0.48 -0.22 -1.82 1.44 5.85 -0.58 -2.49 115.31 117.96 3m01 h LEU 510 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3m01 h LEU 510 Cb 0.84 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3m01 h LEU 510 CO 0.07 -0.15 0.14 0.78 -0.34 0.00 0.00 178.44 178.94 3m01 h ASN 511 N -0.23 0.21 -0.15 1.25 2.35 -0.20 -0.24 115.58 118.57 3m01 h ASN 511 Ca -0.01 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3m01 h ASN 511 Cb 0.19 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3m01 h ASN 511 CO 0.01 0.15 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.72 3m01 h LEU 512 N 0.24 0.52 -0.49 1.61 3.38 -0.74 -0.36 115.31 119.48 3m01 h LEU 512 Ca 0.08 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 3m01 h LEU 512 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3m01 h LEU 512 CO -0.02 0.70 -0.64 0.00 0.09 0.00 0.00 178.44 178.57 3m01 h ALA 513 N 1.35 0.68 -0.17 1.53 0.00 -0.74 -2.97 119.26 118.94 3m01 h ALA 513 Ca 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3m01 h ALA 513 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3m01 h ALA 513 CO 0.03 0.73 0.07 0.00 0.00 0.00 0.00 179.25 180.08 3m01 h ARG 514 N 0.32 0.25 -1.00 0.00 3.08 -0.54 -2.61 114.38 113.87 3m01 h ARG 514 Ca -0.01 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.12 3m01 h ARG 514 Cb 1.19 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.11 3m01 h ARG 514 CO 0.11 0.33 0.63 0.82 -1.07 0.00 0.00 179.97 180.79 3m01 h ILE 515 N 0.12 0.91 -0.51 2.04 2.04 -1.07 -0.98 117.51 120.07 3m01 h ILE 515 Ca 0.06 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3m01 h ILE 515 Cb 0.17 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 3m01 h ILE 515 CO -0.00 0.18 0.26 0.58 0.00 0.00 0.00 178.15 179.17 3m01 h VAL 516 N 0.98 1.18 -0.64 1.67 2.07 -1.32 -0.72 116.25 119.47 3m01 h VAL 516 Ca 0.50 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3m01 h VAL 516 Cb 0.51 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3m01 h VAL 516 CO -0.27 0.20 0.17 -0.33 0.02 0.00 0.00 177.57 177.36 3m01 h GLU 517 N 0.67 1.00 -0.12 1.57 4.39 -0.87 -2.67 114.58 118.55 3m01 h GLU 517 Ca 0.18 -0.21 -0.22 0.00 0.34 0.00 0.00 59.36 59.45 3m01 h GLU 517 Cb 0.08 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3m01 h GLU 517 CO -0.03 0.87 -0.79 0.28 -1.16 0.00 0.00 179.01 178.19 3m01 h VAL 518 N 0.96 1.31 0.00 3.13 2.07 -1.02 -2.69 116.25 120.01 3m01 h VAL 518 Ca 0.21 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.62 3m01 h VAL 518 Cb 0.32 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3m01 h VAL 518 CO -0.00 0.64 -0.25 0.74 0.02 0.00 0.00 177.57 178.71 3m01 h THR 519 N 0.44 0.59 0.00 2.57 2.02 -1.07 -3.22 112.91 114.25 3m01 h THR 519 Ca -0.05 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3m01 h THR 519 Cb 1.40 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.63 3m01 h THR 519 CO 0.15 0.25 -0.50 -1.22 0.37 0.00 0.00 175.52 174.57 3m01 n TYR 520 N -3.38 0.00 0.00 3.16 4.01 -1.02 -4.73 117.16 115.20 3m01 n TYR 520 Ca 0.00 -1.39 0.00 0.00 -0.16 0.00 0.00 57.90 56.35 3m01 n TYR 520 Cb 0.46 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3m01 n TYR 520 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3m01 n ILE 521 N -1.03 0.97 0.00 -0.72 3.06 -1.02 -5.00 119.36 115.63 3m01 n ILE 521 Ca 0.18 0.30 0.00 0.00 -2.50 0.00 0.00 62.75 60.73 3m01 n ILE 521 Cb 0.72 -1.30 0.00 0.00 0.54 0.00 0.00 39.64 39.60 3m01 n ILE 521 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 3m01 n HIS 522 N -1.20 0.00 -1.08 9.51 8.25 -1.26 -5.12 115.22 124.32 3m01 n HIS 522 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3m01 n HIS 522 Cb 0.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 3m01 n HIS 522 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3m01 n THR 528 N 0.00 0.00 -1.73 1.59 -2.24 -1.26 -4.92 114.28 105.72 3m01 n THR 528 Ca 0.00 0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.61 3m01 n THR 528 Cb 0.00 -0.54 0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3m01 n THR 528 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m01 n HIS 529 N -3.35 2.25 -0.16 4.78 -0.00 -1.26 -4.93 115.22 112.55 3m01 n HIS 529 Ca -0.02 0.45 -0.02 0.00 -0.00 0.00 0.00 57.72 58.14 3m01 n HIS 529 Cb 0.62 -2.37 0.07 0.00 -0.00 0.00 0.00 29.99 28.31 3m01 n HIS 529 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3m01 h PRO 530 N 1.75 0.22 -0.37 -1.40 0.11 -1.99 -2.97 132.00 127.36 3m01 h PRO 530 Ca -0.50 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.67 3m01 h PRO 530 Cb 1.30 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3m01 h PRO 530 CO 0.58 0.15 -0.40 0.93 -0.21 0.00 0.00 178.00 179.05 3m01 h GLU 531 N 0.23 -0.32 0.00 1.05 3.07 -1.95 0.75 114.58 117.42 3m01 h GLU 531 Ca 0.26 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3m01 h GLU 531 Cb 0.36 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3m01 h GLU 531 CO -0.34 -0.21 0.01 0.87 -1.40 0.00 0.00 179.01 177.94 3m01 h LYS 532 N -0.33 0.00 0.08 2.33 1.57 -1.91 0.24 116.57 118.55 3m01 h LYS 532 Ca 0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.57 3m01 h LYS 532 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3m01 h LYS 532 CO -0.54 0.00 -2.00 0.28 -0.57 0.00 0.00 179.45 176.62 3m01 n VAL 533 N -2.67 1.69 0.06 0.50 0.31 0.17 -4.44 118.33 113.96 3m01 n VAL 533 Ca -0.02 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.49 3m01 n VAL 533 Cb 0.06 -1.47 -0.14 0.00 -0.91 0.00 0.00 33.84 31.39 3m01 n VAL 533 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3m01 h LEU 534 N 0.04 0.25 -0.91 7.52 3.38 0.13 -3.39 115.31 122.33 3m01 h LEU 534 Ca -0.41 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 57.36 3m01 h LEU 534 Cb 2.03 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 42.56 3m01 h LEU 534 CO 0.06 1.26 -0.42 1.17 0.09 0.00 0.00 178.44 180.60 3m01 n LYS 535 N -3.39 -0.28 0.04 1.13 4.81 0.75 -0.77 118.16 120.44 3m01 n LYS 535 Ca -0.10 1.38 -0.11 0.00 -0.87 0.00 0.00 58.31 58.61 3m01 n LYS 535 Cb 1.01 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 33.98 3m01 n LYS 535 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3m01 h PRO 536 N 0.00 -0.33 -0.78 1.64 0.11 -1.84 -0.47 132.00 130.34 3m01 h PRO 536 Ca 0.25 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.46 3m01 h PRO 536 Cb 0.48 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.60 3m01 h PRO 536 CO -0.88 -0.22 0.45 0.45 -0.21 0.00 0.00 178.00 177.59 3m01 h HIS 537 N -0.34 0.82 -0.71 0.65 3.86 -1.36 0.21 115.15 118.28 3m01 h HIS 537 Ca 0.08 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3m01 h HIS 537 Cb 0.45 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3m01 h HIS 537 CO -0.30 0.37 0.31 0.82 0.86 0.00 0.00 177.93 179.99 3m01 h ILE 538 N 0.79 1.24 -0.36 2.45 2.04 -0.39 0.10 117.51 123.38 3m01 h ILE 538 Ca 0.36 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 3m01 h ILE 538 Cb 0.28 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3m01 h ILE 538 CO -0.22 0.30 -0.03 0.40 0.00 0.00 0.00 178.15 178.60 3m01 h ILE 539 N 1.01 1.27 0.00 -0.67 2.04 -0.14 0.79 117.51 121.81 3m01 h ILE 539 Ca 0.24 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3m01 h ILE 539 Cb 0.17 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3m01 h ILE 539 CO -0.02 0.34 -0.26 0.78 0.00 0.00 0.00 178.15 178.99 3m01 h ASN 540 N 0.46 0.00 0.00 1.72 -0.26 -0.18 -0.42 115.58 116.90 3m01 h ASN 540 Ca 0.10 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.56 3m01 h ASN 540 Cb 0.50 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.71 3m01 h ASN 540 CO 0.02 0.26 -2.09 0.18 -1.06 0.00 0.00 177.43 174.74 3m01 n LEU 541 N -3.77 0.00 -0.09 1.61 4.77 0.32 -4.66 117.00 115.18 3m01 n LEU 541 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3m01 n LEU 541 Cb 0.36 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3m01 n LEU 541 CO 0.35 0.37 0.17 0.18 -1.33 0.00 0.00 177.39 177.13 3m01 n LEU 542 N -2.57 0.81 0.00 2.23 4.77 0.26 -4.87 117.00 117.64 3m01 n LEU 542 Ca -0.25 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3m01 n LEU 542 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3m01 n LEU 542 CO 0.35 0.18 0.00 0.52 -1.33 0.00 0.00 177.39 177.11 3m01 n VAL 543 N -0.36 0.00 -2.72 4.08 0.31 -0.67 -4.90 118.33 114.07 3m01 n VAL 543 Ca 0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 3m01 n VAL 543 Cb 0.08 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3m01 n VAL 543 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3m01 s ASP 544 N -4.17 7.34 0.54 4.52 1.01 -0.25 -5.04 116.67 120.60 3m01 s ASP 544 Ca 0.00 1.62 -0.06 0.00 0.71 0.00 0.00 52.55 54.82 3m01 s ASP 544 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3m01 s ASP 544 CO 0.00 -0.29 0.86 -0.94 0.21 0.00 0.00 175.17 175.01 3m01 s SER 545 N 1.02 6.07 -0.10 0.27 1.04 -1.26 -4.65 113.70 116.10 3m01 s SER 545 Ca 0.51 0.96 -0.30 0.00 0.48 0.00 0.00 55.95 57.60 3m01 s SER 545 Cb -0.20 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 3m01 s SER 545 CO 0.26 -0.76 1.21 -0.63 0.98 0.00 0.00 173.24 174.30 3m01 s ILE 546 N -2.89 4.29 0.14 -1.02 1.01 -1.26 -4.97 121.20 116.51 3m01 s ILE 546 Ca 0.50 1.60 -0.31 0.00 0.00 0.00 0.00 60.65 62.45 3m01 s ILE 546 Cb -0.10 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 3m01 s ILE 546 CO 0.47 -0.05 1.30 -1.59 0.00 0.00 0.00 174.94 175.07 3m01 s LYS 547 N 2.63 4.38 0.00 2.79 -2.85 -1.26 -4.97 119.74 120.46 3m01 s LYS 547 Ca 0.55 1.99 0.26 0.00 -1.00 0.00 0.00 55.97 57.76 3m01 s LYS 547 Cb -0.23 -3.25 0.52 0.00 -2.06 0.00 0.00 37.83 32.81 3m01 s LYS 547 CO 0.19 -0.30 1.44 -0.89 0.10 0.00 0.00 175.35 175.89