#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww0 s ASP 21 N 0.00 5.11 -0.01 3.14 2.15 -1.26 -4.98 116.67 120.82 2ww0 s ASP 21 Ca 0.00 0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.16 2ww0 s ASP 21 Cb 0.00 -1.53 -0.14 0.00 -0.30 0.00 0.00 42.92 40.95 2ww0 s ASP 21 CO 0.00 0.32 0.40 0.79 -0.17 0.00 0.00 175.17 176.51 2ww0 n TRP 22 N 2.51 0.00 0.25 -5.34 8.01 -1.26 -4.61 117.44 117.00 2ww0 n TRP 22 Ca -0.18 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.11 2ww0 n TRP 22 Cb 0.53 -0.09 0.67 0.00 -2.01 0.00 0.00 31.31 30.40 2ww0 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww0 h THR 23 N 0.00 0.81 -0.20 -0.99 1.35 -1.93 -0.57 112.91 111.38 2ww0 h THR 23 Ca 0.00 -0.43 0.06 0.00 -0.55 0.00 0.00 66.41 65.49 2ww0 h THR 23 Cb 0.36 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 2ww0 h THR 23 CO 0.00 0.11 0.30 0.06 -0.25 0.00 0.00 175.52 175.74 2ww0 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 -0.09 115.11 120.79 2ww0 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww0 h GLN 24 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2ww0 h GLN 24 CO 0.01 0.00 -0.59 0.66 0.09 0.00 0.00 178.83 179.01 2ww0 n TYR 25 N -3.52 0.37 -2.80 0.06 4.01 -0.22 -4.89 117.16 110.18 2ww0 n TYR 25 Ca 0.02 0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.45 2ww0 n TYR 25 Cb 0.42 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 2ww0 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww0 s VAL 26 N -3.12 4.79 -0.42 -0.72 1.01 -0.05 -4.25 120.40 117.64 2ww0 s VAL 26 Ca 0.08 1.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 2ww0 s VAL 26 Cb 0.15 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.43 2ww0 s VAL 26 CO 0.71 -0.09 0.24 0.21 0.00 0.00 0.00 175.10 176.17 2ww0 s ASN 27 N 1.25 5.43 0.00 3.32 2.47 -1.26 -4.82 114.94 121.33 2ww0 s ASN 27 Ca 0.39 -1.83 0.15 0.00 0.42 0.00 0.00 52.86 51.99 2ww0 s ASN 27 Cb -0.15 -1.90 0.73 0.00 -1.45 0.00 0.00 41.25 38.48 2ww0 s ASN 27 CO 0.08 -0.56 1.42 -2.65 -3.72 0.00 0.00 177.10 171.67 2ww0 n PRO 28 N 4.75 0.18 0.00 0.43 -0.02 -1.26 -1.67 135.00 137.40 2ww0 n PRO 28 Ca -0.06 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2ww0 n PRO 28 Cb 0.42 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.69 2ww0 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww0 n LEU 29 N -1.32 0.73 -4.65 2.45 4.77 -1.26 -3.64 117.00 114.08 2ww0 n LEU 29 Ca 0.06 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2ww0 n LEU 29 Cb 0.13 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2ww0 n LEU 29 CO 0.12 0.16 1.45 -0.32 -1.33 0.00 0.00 177.39 177.47 2ww0 s MET 30 N -2.80 4.06 0.00 3.23 1.75 -0.67 -1.37 119.30 123.50 2ww0 s MET 30 Ca 0.16 2.21 0.00 0.00 -1.25 0.00 0.00 55.69 56.81 2ww0 s MET 30 Cb 0.18 -4.06 0.00 0.00 2.84 0.00 0.00 34.83 33.79 2ww0 s MET 30 CO 0.63 -1.01 0.00 0.41 -0.65 0.00 0.00 175.02 174.41 2ww0 n GLY 31 N 4.39 0.54 0.03 2.11 0.00 0.22 -4.80 105.19 107.69 2ww0 n GLY 31 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2ww0 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 32 N 0.00 0.41 -3.55 1.61 3.41 -0.47 -1.73 113.62 113.30 2ww0 n SER 32 Ca 0.00 0.21 -0.40 0.00 -0.26 0.00 0.00 58.87 58.41 2ww0 n SER 32 Cb 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2ww0 n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ww0 n GLN 33 N -1.73 4.66 -4.43 4.33 7.27 -0.26 -1.14 117.38 126.08 2ww0 n GLN 33 Ca 0.06 -3.70 -0.24 0.00 0.07 0.00 0.00 57.00 53.19 2ww0 n GLN 33 Cb 0.37 -2.62 -0.11 0.00 2.41 0.00 0.00 30.24 30.29 2ww0 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww0 s SER 34 N 0.07 3.35 0.21 1.69 0.01 -1.26 -4.40 113.70 113.37 2ww0 s SER 34 Ca 0.50 -0.97 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2ww0 s SER 34 Cb 0.18 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 2ww0 s SER 34 CO -0.09 0.03 0.04 0.42 0.41 0.00 0.00 173.24 174.05 2ww0 s THR 35 N -2.27 0.66 0.33 1.44 -4.23 -0.53 -4.94 115.64 106.10 2ww0 s THR 35 Ca 0.25 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 2ww0 s THR 35 Cb -0.05 -2.33 0.32 0.00 1.34 0.00 0.00 72.50 71.77 2ww0 s THR 35 CO 0.12 -0.29 1.82 0.15 -0.54 0.00 0.00 174.62 175.88 2ww0 h PHE 36 N 2.56 0.95 0.00 3.99 3.57 -2.02 -2.84 116.94 123.15 2ww0 h PHE 36 Ca -0.37 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 60.94 2ww0 h PHE 36 Cb 1.22 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2ww0 h PHE 36 CO 0.51 0.28 -1.18 0.93 -2.23 0.00 0.00 178.31 176.62 2ww0 h GLU 37 N 0.74 0.00 -3.11 1.11 3.07 -1.96 -3.40 114.58 111.02 2ww0 h GLU 37 Ca 0.52 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 59.05 2ww0 h GLU 37 Cb 0.84 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.38 2ww0 h GLU 37 CO -0.29 0.75 -0.68 -1.17 -1.40 0.00 0.00 179.01 176.22 2ww0 s LEU 38 N -6.44 0.03 -0.07 1.33 2.96 -1.07 -4.15 118.68 111.27 2ww0 s LEU 38 Ca -0.01 0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.82 2ww0 s LEU 38 Cb 0.09 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 2ww0 s LEU 38 CO 0.81 -0.26 0.56 -0.55 -1.32 0.00 0.00 176.35 175.59 2ww0 s SER 39 N 2.24 6.84 -0.22 3.68 0.15 -1.24 -1.45 113.70 123.70 2ww0 s SER 39 Ca 0.04 1.00 0.14 0.00 0.70 0.00 0.00 55.95 57.84 2ww0 s SER 39 Cb -0.13 -2.34 0.52 0.00 -1.71 0.00 0.00 66.02 62.36 2ww0 s SER 39 CO -0.06 0.01 1.44 0.35 1.20 0.00 0.00 173.24 176.18 2ww0 n THR 40 N 3.36 2.37 0.00 6.45 -2.24 -1.26 -3.27 114.28 119.70 2ww0 n THR 40 Ca -0.06 -2.15 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 2ww0 n THR 40 Cb 0.51 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2ww0 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww0 n GLY 41 N -0.75 3.18 3.59 3.38 0.00 -1.15 -0.99 105.19 112.46 2ww0 n GLY 41 Ca 0.26 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2ww0 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 42 N 0.00 -2.22 -4.68 1.61 3.02 -0.94 -1.40 115.26 110.66 2ww0 n ASN 42 Ca 0.00 -0.78 -0.26 0.00 -0.03 0.00 0.00 54.58 53.51 2ww0 n ASN 42 Cb 0.00 -4.36 -0.09 0.00 -0.61 0.00 0.00 39.78 34.72 2ww0 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww0 s THR 43 N -3.56 2.24 0.27 3.41 -4.23 -0.70 -4.58 115.64 108.49 2ww0 s THR 43 Ca 0.08 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2ww0 s THR 43 Cb -0.02 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 2ww0 s THR 43 CO 0.79 -0.03 0.00 -0.72 -0.54 0.00 0.00 174.62 174.12 2ww0 s TYR 44 N -2.63 1.80 -0.81 3.99 1.13 -1.26 -4.06 117.35 115.51 2ww0 s TYR 44 Ca 0.38 -0.87 -0.25 0.00 -1.41 0.00 0.00 57.07 54.92 2ww0 s TYR 44 Cb 0.05 -1.08 -0.01 0.00 -1.10 0.00 0.00 41.96 39.82 2ww0 s TYR 44 CO 0.20 0.07 1.72 -2.14 -2.51 0.00 0.00 175.55 172.89 2ww0 s PRO 45 N -3.83 2.87 -0.73 -3.49 0.02 -1.24 -4.90 135.00 123.70 2ww0 s PRO 45 Ca 0.31 -0.16 -0.27 0.00 0.02 0.00 0.00 61.00 60.90 2ww0 s PRO 45 Cb 0.06 -4.77 0.02 0.00 0.02 0.00 0.00 34.50 29.83 2ww0 s PRO 45 CO 0.12 -2.76 1.41 0.00 -0.33 0.00 0.00 177.00 175.43 2ww0 s ALA 46 N 8.11 2.62 -0.50 -1.55 0.00 -1.26 -4.45 121.76 124.73 2ww0 s ALA 46 Ca 0.59 -1.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 2ww0 s ALA 46 Cb -0.07 -4.28 0.04 0.00 0.00 0.00 0.00 23.12 18.81 2ww0 s ALA 46 CO 0.07 -3.43 0.74 0.42 0.00 0.00 0.00 175.76 173.56 2ww0 s ILE 47 N 6.41 4.69 0.19 0.00 -1.09 -0.49 -4.80 121.20 126.12 2ww0 s ILE 47 Ca 0.42 -0.03 -0.23 0.00 -2.23 0.00 0.00 60.65 58.58 2ww0 s ILE 47 Cb -0.09 -4.36 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2ww0 s ILE 47 CO 0.15 -0.85 0.73 0.00 -1.23 0.00 0.00 174.94 173.74 2ww0 s ALA 48 N 3.15 -1.47 0.66 9.38 0.00 -0.76 -2.08 121.76 130.64 2ww0 s ALA 48 Ca 0.23 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 2ww0 s ALA 48 Cb -0.15 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2ww0 s ALA 48 CO 0.17 -0.91 1.06 1.03 0.00 0.00 0.00 175.76 177.11 2ww0 s ARG 49 N -3.69 3.23 0.00 0.00 1.81 -1.26 -4.61 118.95 114.45 2ww0 s ARG 49 Ca 0.07 0.64 -0.37 0.00 -1.72 0.00 0.00 55.73 54.35 2ww0 s ARG 49 Cb -0.03 -2.05 -0.15 0.00 -0.45 0.00 0.00 34.95 32.27 2ww0 s ARG 49 CO -0.02 -0.81 1.54 -2.30 -0.68 0.00 0.00 175.30 173.04 2ww0 n PRO 50 N -2.89 1.49 -2.16 3.54 -0.02 -1.26 -1.12 135.00 132.58 2ww0 n PRO 50 Ca 0.06 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2ww0 n PRO 50 Cb 0.55 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 2ww0 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww0 n TRP 51 N 3.81 -0.96 -1.87 6.00 8.01 0.02 -4.90 117.44 127.55 2ww0 n TRP 51 Ca 0.20 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 56.02 2ww0 n TRP 51 Cb 0.21 -3.19 0.04 0.00 -2.01 0.00 0.00 31.31 26.35 2ww0 n TRP 51 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2ww0 s GLY 52 N -2.13 2.85 0.16 6.99 0.00 -0.27 -1.53 107.32 113.39 2ww0 s GLY 52 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.83 2ww0 s GLY 52 CO 0.00 1.70 1.62 1.98 0.00 0.00 0.00 173.10 178.40 2ww0 h MET 53 N 1.34 0.93 -5.24 2.90 4.05 -1.43 -3.38 114.93 114.10 2ww0 h MET 53 Ca -0.51 -0.29 -0.66 0.00 -0.28 0.00 0.00 59.70 57.96 2ww0 h MET 53 Cb 1.30 -0.09 -0.28 0.00 -0.80 0.00 0.00 31.60 31.73 2ww0 h MET 53 CO 0.57 0.94 -0.78 -0.80 0.23 0.00 0.00 176.91 177.07 2ww0 s ASN 54 N -6.41 3.89 0.09 1.39 0.01 -0.99 -4.87 114.94 108.04 2ww0 s ASN 54 Ca -0.12 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 51.62 2ww0 s ASN 54 Cb 0.12 -1.60 -0.05 0.00 0.41 0.00 0.00 41.25 40.14 2ww0 s ASN 54 CO 0.83 0.12 0.27 -0.36 -1.51 0.00 0.00 177.10 176.45 2ww0 s PHE 55 N 0.62 3.51 -0.00 2.20 0.08 -0.87 -4.79 117.98 118.72 2ww0 s PHE 55 Ca -0.08 0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.41 2ww0 s PHE 55 Cb -0.16 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2ww0 s PHE 55 CO 0.03 0.54 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.87 2ww0 s TRP 56 N -1.55 2.07 0.01 0.36 0.52 -0.88 -0.29 118.94 119.17 2ww0 s TRP 56 Ca 0.37 -0.39 -0.09 0.00 0.02 0.00 0.00 56.10 56.01 2ww0 s TRP 56 Cb -0.13 -1.31 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 2ww0 s TRP 56 CO 0.26 -0.01 0.17 -0.08 0.02 0.00 0.00 176.95 177.32 2ww0 s THR 57 N -0.59 0.08 0.40 2.01 -1.32 -0.39 -1.39 115.64 114.45 2ww0 s THR 57 Ca 0.09 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.61 2ww0 s THR 57 Cb -0.09 -0.54 -0.09 0.00 -1.51 0.00 0.00 72.50 70.27 2ww0 s THR 57 CO -0.00 -0.39 1.31 -2.16 -2.21 0.00 0.00 174.62 171.17 2ww0 s PRO 58 N -1.57 3.98 -0.27 7.08 0.04 -1.26 -0.59 135.00 142.40 2ww0 s PRO 58 Ca -0.13 2.18 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2ww0 s PRO 58 Cb -0.06 -2.77 0.04 0.00 0.04 0.00 0.00 34.50 31.74 2ww0 s PRO 58 CO 0.01 -0.49 -0.04 -1.14 0.04 0.00 0.00 177.00 175.38 2ww0 s GLN 59 N -2.22 2.60 -0.18 4.56 0.74 -0.12 -4.62 119.66 120.41 2ww0 s GLN 59 Ca 0.56 -1.14 0.05 0.00 0.05 0.00 0.00 55.36 54.89 2ww0 s GLN 59 Cb -0.39 -3.05 -0.22 0.00 1.10 0.00 0.00 33.01 30.45 2ww0 s GLN 59 CO 0.50 -0.51 0.11 0.25 -0.55 0.00 0.00 175.29 175.09 2ww0 n THR 60 N 4.62 1.55 -1.13 -0.34 -2.24 0.11 -0.74 114.28 116.12 2ww0 n THR 60 Ca -0.15 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.63 2ww0 n THR 60 Cb 0.45 -1.20 0.12 0.00 -2.10 0.00 0.00 70.33 67.59 2ww0 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww0 s GLY 61 N -5.85 1.66 0.63 3.38 0.00 0.73 -4.70 107.32 103.17 2ww0 s GLY 61 Ca -0.22 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.62 2ww0 s GLY 61 CO 0.73 0.65 1.05 0.54 0.00 0.00 0.00 173.10 176.07 2ww0 s LYS 62 N -4.85 3.24 0.01 2.90 1.02 -1.26 -4.90 119.74 115.90 2ww0 s LYS 62 Ca 0.63 1.07 -0.37 0.00 0.02 0.00 0.00 55.97 57.32 2ww0 s LYS 62 Cb -0.19 -2.03 -0.16 0.00 -0.52 0.00 0.00 37.83 34.94 2ww0 s LYS 62 CO 0.57 -0.86 1.48 -0.12 -0.92 0.00 0.00 175.35 175.49 2ww0 n MET 63 N -2.43 1.30 0.00 1.68 0.00 -1.26 -1.95 117.12 114.46 2ww0 n MET 63 Ca 0.08 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 2ww0 n MET 63 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.61 2ww0 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww0 n GLY 64 N 3.06 2.17 3.67 -5.12 0.00 -1.26 -5.04 105.19 102.67 2ww0 n GLY 64 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww0 s ASP 65 N -1.40 6.94 0.53 1.61 -1.08 -0.82 -4.93 116.67 117.52 2ww0 s ASP 65 Ca 0.00 1.15 0.32 0.00 -0.52 0.00 0.00 52.55 53.50 2ww0 s ASP 65 Cb 0.00 -2.44 1.49 0.00 -1.46 0.00 0.00 42.92 40.50 2ww0 s ASP 65 CO 0.00 -0.37 1.87 1.23 0.52 0.00 0.00 175.17 178.43 2ww0 h GLY 66 N 8.18 0.03 -7.65 2.66 0.00 -1.90 -3.16 103.07 101.23 2ww0 h GLY 66 Ca -0.30 -0.01 -0.74 0.00 0.00 0.00 0.00 47.33 46.27 2ww0 h GLY 66 CO 0.82 -0.00 1.07 -0.98 0.00 0.00 0.00 176.54 177.45 2ww0 s TRP 67 N -4.99 3.60 -0.28 5.60 0.51 -1.26 -4.29 118.94 117.82 2ww0 s TRP 67 Ca -0.05 -2.13 0.19 0.00 -2.12 0.00 0.00 56.10 51.99 2ww0 s TRP 67 Cb 0.22 -4.20 0.18 0.00 -0.81 0.00 0.00 33.47 28.85 2ww0 s TRP 67 CO 0.78 -1.31 1.48 -0.56 -0.51 0.00 0.00 176.95 176.82 2ww0 h GLN 68 N 7.33 0.00 -3.44 4.98 3.07 -1.92 -3.34 115.11 121.80 2ww0 h GLN 68 Ca 0.26 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.62 2ww0 h GLN 68 Cb 0.90 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 28.08 2ww0 h GLN 68 CO 1.16 0.25 -0.75 -0.47 0.09 0.00 0.00 178.83 179.12 2ww0 s TYR 69 N -3.09 0.21 -0.04 0.06 5.04 -1.26 0.08 117.35 118.35 2ww0 s TYR 69 Ca 0.05 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.86 2ww0 s TYR 69 Cb 0.07 -0.53 -0.00 0.00 0.35 0.00 0.00 41.96 41.84 2ww0 s TYR 69 CO 0.72 -0.21 -0.17 0.95 -1.34 0.00 0.00 175.55 175.50 2ww0 s THR 70 N 1.98 1.40 0.52 4.34 -4.23 -1.26 -4.77 115.64 113.61 2ww0 s THR 70 Ca 0.03 -0.70 0.20 0.00 -1.18 0.00 0.00 61.69 60.04 2ww0 s THR 70 Cb -0.12 -1.20 0.33 0.00 1.34 0.00 0.00 72.50 72.85 2ww0 s THR 70 CO -0.03 0.40 2.07 0.22 -0.54 0.00 0.00 174.62 176.74 2ww0 h TYR 71 N 6.21 0.03 -0.18 3.99 5.03 -1.49 -0.35 116.97 130.21 2ww0 h TYR 71 Ca -0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2ww0 h TYR 71 Cb 1.17 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2ww0 h TYR 71 CO 0.43 0.02 0.00 0.25 -1.32 0.00 0.00 178.16 177.54 2ww0 n THR 72 N -4.46 0.23 -2.50 1.81 -2.24 -1.26 -4.90 114.28 100.96 2ww0 n THR 72 Ca 0.04 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 2ww0 n THR 72 Cb 0.35 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2ww0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww0 s ALA 73 N -1.77 3.08 -0.06 6.98 0.00 -0.14 -4.98 121.76 124.87 2ww0 s ALA 73 Ca 0.32 0.74 0.14 0.00 0.00 0.00 0.00 51.96 53.15 2ww0 s ALA 73 Cb 0.17 -3.29 -0.20 0.00 0.00 0.00 0.00 23.12 19.80 2ww0 s ALA 73 CO 0.26 -0.27 0.71 0.09 0.00 0.00 0.00 175.76 176.55 2ww0 n ASN 74 N -0.09 0.88 -4.31 0.00 3.02 -1.26 -4.97 115.26 108.53 2ww0 n ASN 74 Ca 0.05 0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 54.75 2ww0 n ASN 74 Cb 0.49 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.51 2ww0 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww0 s LYS 75 N -2.69 1.32 -0.14 3.52 1.02 -1.26 -1.61 119.74 119.90 2ww0 s LYS 75 Ca -0.04 -1.14 -0.05 0.00 0.02 0.00 0.00 55.97 54.76 2ww0 s LYS 75 Cb 0.08 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2ww0 s LYS 75 CO 0.82 0.39 0.03 0.42 -0.92 0.00 0.00 175.35 176.09 2ww0 s ILE 76 N -1.01 4.57 -0.47 2.17 1.01 0.15 -4.37 121.20 123.24 2ww0 s ILE 76 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2ww0 s ILE 76 Cb -0.10 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.43 2ww0 s ILE 76 CO 0.04 0.54 0.76 -2.11 0.00 0.00 0.00 174.94 174.16 2ww0 n ARG 77 N 2.84 0.50 0.00 2.79 1.85 0.08 -1.22 116.66 123.50 2ww0 n ARG 77 Ca -0.18 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.66 2ww0 n ARG 77 Cb 0.53 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 2ww0 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww0 n GLY 78 N 0.14 1.33 3.27 2.89 0.00 -1.23 -4.80 105.19 106.79 2ww0 n GLY 78 Ca 0.03 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2ww0 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 79 N -2.00 3.10 -0.04 1.61 0.40 0.11 -0.95 117.98 120.22 2ww0 s PHE 79 Ca 0.00 -1.25 -0.00 0.00 -0.60 0.00 0.00 56.93 55.08 2ww0 s PHE 79 Cb 0.00 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 2ww0 s PHE 79 CO 0.00 -0.65 0.00 0.21 0.70 0.00 0.00 175.22 175.49 2ww0 s LYS 80 N 1.41 2.89 -0.17 0.44 2.20 0.24 -1.51 119.74 125.25 2ww0 s LYS 80 Ca 0.02 -0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 54.90 2ww0 s LYS 80 Cb -0.17 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2ww0 s LYS 80 CO -0.01 0.66 0.67 -1.14 -0.36 0.00 0.00 175.35 175.18 2ww0 s GLN 81 N -1.24 4.27 0.10 4.03 0.74 0.26 -1.26 119.66 126.56 2ww0 s GLN 81 Ca 0.17 0.73 0.04 0.00 0.05 0.00 0.00 55.36 56.35 2ww0 s GLN 81 Cb -0.11 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2ww0 s GLN 81 CO 0.07 -0.19 -0.12 -0.08 -0.55 0.00 0.00 175.29 174.42 2ww0 s THR 82 N 1.73 1.07 0.00 -0.34 -1.32 0.61 -3.32 115.64 114.07 2ww0 s THR 82 Ca 0.32 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 2ww0 s THR 82 Cb -0.16 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 2ww0 s THR 82 CO 0.12 -0.49 0.65 1.41 -2.21 0.00 0.00 174.62 174.09 2ww0 n HIS 83 N 0.59 0.00 -1.70 9.09 8.25 -1.25 -2.04 115.22 128.16 2ww0 n HIS 83 Ca -0.16 -0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 56.67 2ww0 n HIS 83 Cb 0.57 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2ww0 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww0 s GLN 84 N -0.42 4.14 0.21 -0.41 0.74 -1.26 -4.87 119.66 117.79 2ww0 s GLN 84 Ca 0.00 2.60 0.23 0.00 0.05 0.00 0.00 55.36 58.25 2ww0 s GLN 84 Cb 0.00 -3.69 0.20 0.00 1.10 0.00 0.00 33.01 30.62 2ww0 s GLN 84 CO 0.00 -0.86 1.25 -1.00 -0.55 0.00 0.00 175.29 174.12 2ww0 h PRO 85 N 8.94 0.00 -1.55 1.67 0.13 -1.90 -3.48 132.00 135.81 2ww0 h PRO 85 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2ww0 h PRO 85 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 2ww0 h PRO 85 CO 0.95 0.00 0.51 0.45 -0.23 0.00 0.00 178.00 179.68 2ww0 s SER 86 N -5.06 -0.40 0.44 1.44 0.15 -1.26 -4.59 113.70 104.42 2ww0 s SER 86 Ca 0.03 0.65 0.17 0.00 0.70 0.00 0.00 55.95 57.51 2ww0 s SER 86 Cb 0.10 0.63 1.10 0.00 -1.71 0.00 0.00 66.02 66.14 2ww0 s SER 86 CO 0.74 -0.21 1.94 1.55 1.20 0.00 0.00 173.24 178.46 2ww0 h PRO 87 N 3.54 0.34 -0.20 5.44 0.13 -1.81 0.32 132.00 139.76 2ww0 h PRO 87 Ca -0.24 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.69 2ww0 h PRO 87 Cb 1.17 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ww0 h PRO 87 CO 0.18 0.23 -0.57 -1.49 -0.23 0.00 0.00 178.00 176.12 2ww0 h TRP 88 N 0.35 0.79 0.04 1.56 4.06 -1.94 -3.13 115.95 117.69 2ww0 h TRP 88 Ca 0.34 -0.29 -0.25 0.00 2.06 0.00 0.00 58.89 60.75 2ww0 h TRP 88 Cb 0.83 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 2ww0 h TRP 88 CO -0.00 1.05 -1.27 0.82 -3.56 0.00 0.00 178.44 175.48 2ww0 h ILE 89 N 0.48 1.42 -1.12 1.49 1.08 -1.71 -3.51 117.51 115.63 2ww0 h ILE 89 Ca 0.00 -3.12 0.06 0.00 -0.39 0.00 0.00 64.86 61.41 2ww0 h ILE 89 Cb 1.14 2.76 -0.02 0.00 -3.07 0.00 0.00 36.82 37.64 2ww0 h ILE 89 CO 0.11 0.84 -0.08 -3.20 -0.69 0.00 0.00 178.15 175.13 2ww0 n ASN 90 N -3.34 -3.20 -4.80 1.72 2.85 0.10 -4.84 115.26 103.76 2ww0 n ASN 90 Ca -0.07 0.25 -0.22 0.00 -0.11 0.00 0.00 54.58 54.42 2ww0 n ASN 90 Cb 0.99 -0.70 -0.05 0.00 1.24 0.00 0.00 39.78 41.26 2ww0 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww0 s ASP 91 N -4.14 4.81 0.18 1.20 -1.08 -1.26 -4.37 116.67 112.00 2ww0 s ASP 91 Ca 0.00 -0.82 -0.17 0.00 -0.52 0.00 0.00 52.55 51.04 2ww0 s ASP 91 Cb 0.00 -0.63 0.03 0.00 -1.46 0.00 0.00 42.92 40.86 2ww0 s ASP 91 CO 0.00 -0.50 0.49 -0.72 0.52 0.00 0.00 175.17 174.95 2ww0 s TYR 92 N -2.48 -0.13 -1.21 -5.34 1.13 -1.26 -2.66 117.35 105.40 2ww0 s TYR 92 Ca 0.43 -0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.88 2ww0 s TYR 92 Cb -0.01 0.35 -0.00 0.00 -1.10 0.00 0.00 41.96 41.19 2ww0 s TYR 92 CO 0.25 -0.86 0.97 0.41 -2.51 0.00 0.00 175.55 173.81 2ww0 n GLY 93 N -0.31 -0.36 3.16 5.49 0.00 -1.24 -3.86 105.19 108.07 2ww0 n GLY 93 Ca -0.11 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2ww0 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 94 N -5.41 2.67 0.22 1.61 -2.07 -1.26 -4.53 119.66 110.89 2ww0 s GLN 94 Ca 0.00 -0.75 -0.12 0.00 -1.82 0.00 0.00 55.36 52.68 2ww0 s GLN 94 Cb -0.00 -2.05 -0.00 0.00 -1.09 0.00 0.00 33.01 29.86 2ww0 s GLN 94 CO 0.74 0.13 0.42 -0.59 -1.32 0.00 0.00 175.29 174.66 2ww0 s PHE 95 N 0.46 0.37 0.16 9.60 -0.71 -1.21 -4.59 117.98 122.05 2ww0 s PHE 95 Ca -0.17 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 54.99 2ww0 s PHE 95 Cb -0.17 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2ww0 s PHE 95 CO 0.07 -0.90 0.07 -1.54 -1.34 0.00 0.00 175.22 171.58 2ww0 s SER 96 N -3.00 0.38 0.01 1.98 1.04 -0.57 -0.58 113.70 112.96 2ww0 s SER 96 Ca 0.21 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.39 2ww0 s SER 96 Cb 0.01 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2ww0 s SER 96 CO 0.06 -0.74 -0.04 -0.51 0.98 0.00 0.00 173.24 172.99 2ww0 s ILE 97 N -4.03 0.26 -0.18 -1.02 2.07 -0.57 -0.59 121.20 117.15 2ww0 s ILE 97 Ca 0.28 -0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 59.08 2ww0 s ILE 97 Cb 0.07 -0.27 0.08 0.00 0.13 0.00 0.00 42.46 42.47 2ww0 s ILE 97 CO 0.05 -0.08 0.38 -0.32 -1.91 0.00 0.00 174.94 173.06 2ww0 s MET 98 N -0.49 0.28 0.32 3.50 -2.45 0.25 0.09 119.30 120.81 2ww0 s MET 98 Ca -0.03 0.94 -0.22 0.00 -1.25 0.00 0.00 55.69 55.14 2ww0 s MET 98 Cb -0.04 0.22 -0.10 0.00 1.25 0.00 0.00 34.83 36.16 2ww0 s MET 98 CO -0.00 -0.25 0.87 -1.25 1.05 0.00 0.00 175.02 175.43 2ww0 s PRO 99 N 2.47 4.35 0.36 4.11 0.04 -1.26 0.22 135.00 145.29 2ww0 s PRO 99 Ca -0.02 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2ww0 s PRO 99 Cb -0.12 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.80 2ww0 s PRO 99 CO -0.12 0.22 0.50 0.96 0.04 0.00 0.00 177.00 178.60 2ww0 s ILE 100 N -1.77 0.00 -0.01 0.56 -4.36 -0.64 -4.93 121.20 110.05 2ww0 s ILE 100 Ca 0.52 -1.58 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 2ww0 s ILE 100 Cb -0.15 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.89 2ww0 s ILE 100 CO 0.20 0.00 0.20 -0.69 0.24 0.00 0.00 174.94 174.89 2ww0 s VAL 101 N -2.94 0.07 0.00 8.37 1.01 -1.26 -1.17 120.40 124.49 2ww0 s VAL 101 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2ww0 s VAL 101 Cb -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2ww0 s VAL 101 CO 0.21 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2ww0 n GLY 102 N 1.46 1.07 3.78 4.51 0.00 -0.18 -4.91 105.19 110.92 2ww0 n GLY 102 Ca -0.22 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 2ww0 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 103 N 0.00 4.60 -0.69 1.61 -1.52 -1.26 -4.81 119.66 117.59 2ww0 s GLN 103 Ca 0.00 1.23 -0.27 0.00 -1.95 0.00 0.00 55.36 54.37 2ww0 s GLN 103 Cb 0.00 -3.12 0.02 0.00 -0.22 0.00 0.00 33.01 29.69 2ww0 s GLN 103 CO 0.00 0.48 1.38 -1.25 -0.25 0.00 0.00 175.29 175.65 2ww0 s PRO 104 N -1.45 3.13 -0.04 2.91 0.04 -1.26 -4.99 135.00 133.34 2ww0 s PRO 104 Ca 0.41 -0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.49 2ww0 s PRO 104 Cb -0.22 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.11 2ww0 s PRO 104 CO 0.26 -2.19 -0.22 0.14 0.04 0.00 0.00 177.00 175.03 2ww0 s VAL 105 N 6.25 1.76 -0.16 -0.36 -7.23 -1.26 -5.02 120.40 114.37 2ww0 s VAL 105 Ca 0.42 -0.92 0.17 0.00 -1.81 0.00 0.00 61.98 59.84 2ww0 s VAL 105 Cb -0.09 -1.48 -0.25 0.00 0.56 0.00 0.00 36.38 35.12 2ww0 s VAL 105 CO 0.17 0.50 0.21 0.33 -0.31 0.00 0.00 175.10 176.00 2ww0 n PHE 106 N 2.86 0.23 -1.55 2.82 7.35 -1.26 -4.69 117.46 123.22 2ww0 n PHE 106 Ca -0.17 0.08 -0.50 0.00 -0.76 0.00 0.00 57.45 56.11 2ww0 n PHE 106 Cb 0.52 -1.03 -0.04 0.00 0.35 0.00 0.00 39.48 39.28 2ww0 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww0 n ASP 107 N -2.81 0.92 0.00 -2.13 -0.08 -1.26 -4.83 116.55 106.36 2ww0 n ASP 107 Ca -0.29 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.24 2ww0 n ASP 107 Cb 1.12 -1.16 0.49 0.00 2.34 0.00 0.00 41.12 43.91 2ww0 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww0 n GLU 108 N 1.59 0.15 -0.12 -0.67 0.28 -1.26 -1.53 120.64 119.08 2ww0 n GLU 108 Ca 0.16 0.11 -0.19 0.00 -0.16 0.00 0.00 57.16 57.08 2ww0 n GLU 108 Cb 0.23 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.50 2ww0 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww0 n GLU 109 N -1.39 0.56 0.24 3.44 1.02 -1.26 -4.10 120.64 119.15 2ww0 n GLU 109 Ca 0.08 0.16 0.08 0.00 -0.02 0.00 0.00 57.16 57.46 2ww0 n GLU 109 Cb 0.21 -1.44 0.58 0.00 -0.02 0.00 0.00 31.44 30.77 2ww0 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww0 h LYS 110 N -0.26 0.00 0.00 3.49 1.57 -1.91 -2.11 116.57 117.35 2ww0 h LYS 110 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2ww0 h LYS 110 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 2ww0 h LYS 110 CO -0.17 0.18 -0.33 2.89 -0.57 0.00 0.00 179.45 181.45 2ww0 n ARG 111 N -4.01 0.13 -1.83 3.15 1.85 -0.59 -4.94 116.66 110.43 2ww0 n ARG 111 Ca -0.02 0.06 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 2ww0 n ARG 111 Cb 0.26 -1.61 0.05 0.00 -1.05 0.00 0.00 32.46 30.11 2ww0 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww0 s ALA 112 N -3.07 2.45 -0.00 2.89 0.00 -0.80 -4.94 121.76 118.30 2ww0 s ALA 112 Ca 0.10 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2ww0 s ALA 112 Cb 0.16 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2ww0 s ALA 112 CO 0.65 -1.28 -0.13 0.45 0.00 0.00 0.00 175.76 175.45 2ww0 s SER 113 N -2.18 1.52 0.75 0.00 0.15 -0.36 -4.94 113.70 108.63 2ww0 s SER 113 Ca 0.71 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 2ww0 s SER 113 Cb -0.24 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 2ww0 s SER 113 CO 0.38 0.14 1.07 0.79 1.20 0.00 0.00 173.24 176.82 2ww0 n TRP 114 N 2.62 0.98 -3.87 3.44 7.02 -1.26 -0.68 117.44 125.70 2ww0 n TRP 114 Ca -0.15 0.40 -0.08 0.00 -1.02 0.00 0.00 57.50 56.65 2ww0 n TRP 114 Cb 0.55 -2.11 -0.01 0.00 -2.42 0.00 0.00 31.31 27.33 2ww0 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww0 s PHE 115 N -1.87 0.01 0.04 -5.99 -0.71 -0.63 -0.98 117.98 107.85 2ww0 s PHE 115 Ca 0.74 -0.52 0.01 0.00 -1.04 0.00 0.00 56.93 56.12 2ww0 s PHE 115 Cb -0.33 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2ww0 s PHE 115 CO 0.49 -1.32 -0.05 0.00 -1.34 0.00 0.00 175.22 173.00 2ww0 s ALA 116 N -3.39 0.43 0.42 1.99 0.00 -1.26 -4.81 121.76 115.13 2ww0 s ALA 116 Ca 0.14 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.40 2ww0 s ALA 116 Cb -0.05 0.11 0.88 0.00 0.00 0.00 0.00 23.12 24.06 2ww0 s ALA 116 CO 0.09 -0.12 2.05 0.45 0.00 0.00 0.00 175.76 178.23 2ww0 h HIS 117 N 4.32 0.46 0.00 0.00 3.86 -1.95 0.38 115.15 122.22 2ww0 h HIS 117 Ca -0.34 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2ww0 h HIS 117 Cb 1.20 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2ww0 h HIS 117 CO 0.64 0.31 0.00 1.63 0.86 0.00 0.00 177.93 181.37 2ww0 n LYS 118 N -4.46 0.14 -0.23 2.45 5.02 -1.26 -1.46 118.16 118.36 2ww0 n LYS 118 Ca 0.02 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 2ww0 n LYS 118 Cb 0.08 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.76 2ww0 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 119 N -0.44 3.30 3.12 0.72 0.00 0.13 -4.99 105.19 107.03 2ww0 n GLY 119 Ca 0.05 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2ww0 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 120 N -1.66 1.25 -0.18 1.61 2.12 -0.53 -1.61 118.70 119.70 2ww0 s GLU 120 Ca 0.27 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 55.06 2ww0 s GLU 120 Cb 0.18 -1.20 0.04 0.00 0.26 0.00 0.00 34.13 33.42 2ww0 s GLU 120 CO 0.11 0.31 -0.05 0.08 -0.54 0.00 0.00 175.26 175.17 2ww0 s VAL 121 N -0.30 1.19 -0.22 3.70 1.01 0.40 -4.94 120.40 121.25 2ww0 s VAL 121 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2ww0 s VAL 121 Cb -0.06 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2ww0 s VAL 121 CO -0.00 0.09 -0.10 0.00 0.00 0.00 0.00 175.10 175.08 2ww0 s ALA 122 N 1.59 2.62 0.21 5.51 0.00 -1.26 -1.32 121.76 129.11 2ww0 s ALA 122 Ca -0.00 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.73 2ww0 s ALA 122 Cb -0.16 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2ww0 s ALA 122 CO -0.08 -0.52 -0.04 0.95 0.00 0.00 0.00 175.76 176.08 2ww0 s THR 123 N 1.37 1.12 0.55 0.00 -4.23 -0.16 -4.44 115.64 109.84 2ww0 s THR 123 Ca 0.04 -2.05 0.22 0.00 -1.18 0.00 0.00 61.69 58.72 2ww0 s THR 123 Cb -0.15 -2.21 0.32 0.00 1.34 0.00 0.00 72.50 71.81 2ww0 s THR 123 CO -0.07 -0.44 2.15 -0.65 -0.54 0.00 0.00 174.62 175.07 2ww0 h PRO 124 N 2.55 0.00 -0.01 3.99 0.11 -1.87 -2.98 132.00 133.79 2ww0 h PRO 124 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ww0 h PRO 124 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ww0 h PRO 124 CO 0.64 0.00 -0.10 2.48 -0.21 0.00 0.00 178.00 180.81 2ww0 n TYR 125 N -4.24 0.00 -3.64 0.65 4.11 -1.26 -1.84 117.16 110.93 2ww0 n TYR 125 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 2ww0 n TYR 125 Cb 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.46 2ww0 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww0 s TYR 126 N -1.06 -0.83 -0.02 -3.48 5.04 -1.13 -4.28 117.35 111.59 2ww0 s TYR 126 Ca 0.09 1.89 0.01 0.00 -2.44 0.00 0.00 57.07 56.62 2ww0 s TYR 126 Cb 0.08 0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.77 2ww0 s TYR 126 CO 0.18 -0.41 -0.02 -0.47 -1.34 0.00 0.00 175.55 173.49 2ww0 s TYR 127 N 0.77 0.39 0.01 4.97 5.04 -0.25 -0.99 117.35 127.29 2ww0 s TYR 127 Ca -0.03 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 2ww0 s TYR 127 Cb -0.05 -0.39 -0.01 0.00 0.35 0.00 0.00 41.96 41.86 2ww0 s TYR 127 CO -0.06 -0.10 -0.05 0.21 -1.34 0.00 0.00 175.55 174.21 2ww0 s LYS 128 N 0.66 0.40 -0.09 4.97 2.20 -0.44 -0.99 119.74 126.46 2ww0 s LYS 128 Ca -0.07 -0.36 -0.21 0.00 -0.36 0.00 0.00 55.97 54.97 2ww0 s LYS 128 Cb -0.10 -0.30 0.05 0.00 -1.51 0.00 0.00 37.83 35.97 2ww0 s LYS 128 CO -0.01 0.07 0.50 0.54 -0.36 0.00 0.00 175.35 176.10 2ww0 s VAL 129 N -0.55 0.02 -0.27 4.02 0.11 -0.61 -0.45 120.40 122.67 2ww0 s VAL 129 Ca -0.03 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 2ww0 s VAL 129 Cb -0.05 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2ww0 s VAL 129 CO -0.00 -0.09 0.34 -0.47 -3.33 0.00 0.00 175.10 171.55 2ww0 s TYR 130 N -0.76 3.24 -0.53 1.54 5.04 -0.63 -1.11 117.35 124.13 2ww0 s TYR 130 Ca -0.08 0.36 -0.22 0.00 -2.44 0.00 0.00 57.07 54.68 2ww0 s TYR 130 Cb -0.03 -2.53 0.05 0.00 0.35 0.00 0.00 41.96 39.80 2ww0 s TYR 130 CO 0.05 -0.21 0.80 -0.51 -1.34 0.00 0.00 175.55 174.34 2ww0 s LEU 131 N 1.99 4.49 0.41 6.97 1.43 0.91 -4.60 118.68 130.27 2ww0 s LEU 131 Ca 0.13 -0.61 0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2ww0 s LEU 131 Cb -0.16 -2.65 0.81 0.00 0.03 0.00 0.00 46.19 44.22 2ww0 s LEU 131 CO 0.10 -1.09 1.79 0.00 0.23 0.00 0.00 176.35 177.38 2ww0 h ALA 132 N 9.18 1.03 0.00 4.21 0.00 -1.35 0.09 119.26 132.41 2ww0 h ALA 132 Ca -0.27 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ww0 h ALA 132 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ww0 h ALA 132 CO 1.04 0.38 -0.28 0.39 0.00 0.00 0.00 179.25 180.77 2ww0 n GLU 133 N -3.49 0.24 -0.00 0.00 1.02 -1.26 -3.73 120.64 113.41 2ww0 n GLU 133 Ca -0.00 0.13 0.03 0.00 -0.02 0.00 0.00 57.16 57.30 2ww0 n GLU 133 Cb 0.46 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 2ww0 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww0 n HIS 134 N -2.09 0.00 -3.53 -0.32 8.25 -1.02 -4.96 115.22 111.54 2ww0 n HIS 134 Ca 0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 2ww0 n HIS 134 Cb 0.42 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.61 2ww0 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww0 n ASP 135 N -1.17 -4.01 -4.19 0.41 2.03 -0.01 -4.72 116.55 104.88 2ww0 n ASP 135 Ca 0.01 -0.60 -0.27 0.00 0.52 0.00 0.00 54.79 54.46 2ww0 n ASP 135 Cb 0.11 -5.02 -0.16 0.00 -0.72 0.00 0.00 41.12 35.34 2ww0 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww0 s ILE 136 N -3.35 1.58 -0.21 5.18 1.01 -1.11 -3.68 121.20 120.62 2ww0 s ILE 136 Ca 0.28 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2ww0 s ILE 136 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2ww0 s ILE 136 CO 0.74 0.45 0.11 -0.69 0.00 0.00 0.00 174.94 175.54 2ww0 s VAL 137 N -0.30 5.07 -0.12 2.92 1.01 -0.82 -0.06 120.40 128.09 2ww0 s VAL 137 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2ww0 s VAL 137 Cb -0.09 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2ww0 s VAL 137 CO 0.00 0.42 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 2ww0 s THR 138 N 0.62 3.52 0.02 3.92 2.01 -0.27 -0.67 115.64 124.78 2ww0 s THR 138 Ca 0.06 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2ww0 s THR 138 Cb -0.12 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2ww0 s THR 138 CO 0.01 0.54 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.75 2ww0 s GLU 139 N -0.02 0.80 -0.01 4.92 2.02 -0.44 -1.57 118.70 124.41 2ww0 s GLU 139 Ca -0.01 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2ww0 s GLU 139 Cb -0.14 -0.77 0.01 0.00 0.10 0.00 0.00 34.13 33.33 2ww0 s GLU 139 CO 0.03 0.20 -0.00 0.00 0.02 0.00 0.00 175.26 175.50 2ww0 s MET 140 N -0.77 0.10 -0.10 1.61 0.23 -0.16 -0.34 119.30 119.87 2ww0 s MET 140 Ca 0.01 0.00 -0.00 0.00 -1.03 0.00 0.00 55.69 54.67 2ww0 s MET 140 Cb -0.06 -0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.11 2ww0 s MET 140 CO 0.00 -0.02 -0.07 0.95 -2.03 0.00 0.00 175.02 173.86 2ww0 s THR 141 N 0.22 0.91 0.32 3.16 -4.23 -0.51 -1.09 115.64 114.42 2ww0 s THR 141 Ca -0.02 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.32 2ww0 s THR 141 Cb -0.03 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 2ww0 s THR 141 CO -0.01 0.34 0.45 -2.16 -0.54 0.00 0.00 174.62 172.71 2ww0 s PRO 142 N 1.63 3.18 0.00 3.99 0.04 -1.26 -1.27 135.00 141.31 2ww0 s PRO 142 Ca 0.03 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.12 2ww0 s PRO 142 Cb -0.13 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2ww0 s PRO 142 CO -0.06 0.13 0.00 0.25 0.04 0.00 0.00 177.00 177.35 2ww0 n THR 143 N -1.61 0.00 -0.30 1.26 -2.24 0.11 -4.69 114.28 106.81 2ww0 n THR 143 Ca -0.02 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 2ww0 n THR 143 Cb 0.58 -0.28 0.07 0.00 -2.10 0.00 0.00 70.33 68.60 2ww0 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww0 h GLU 144 N 0.00 1.13 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.73 2ww0 h GLU 144 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ww0 h GLU 144 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2ww0 h GLU 144 CO 0.00 0.82 0.00 0.54 -1.00 0.00 0.00 179.01 179.37 2ww0 n ARG 145 N -4.42 4.02 -4.54 2.33 1.74 -1.26 -1.61 116.66 112.91 2ww0 n ARG 145 Ca 0.08 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 2ww0 n ARG 145 Cb 0.08 -0.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.94 2ww0 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww0 s ALA 146 N -0.60 2.94 0.03 7.54 0.00 -1.25 -3.38 121.76 127.04 2ww0 s ALA 146 Ca 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 2ww0 s ALA 146 Cb 0.00 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.68 2ww0 s ALA 146 CO 0.00 -0.25 0.42 0.54 0.00 0.00 0.00 175.76 176.48 2ww0 s VAL 147 N -3.13 0.05 -0.14 0.00 0.11 -0.01 0.04 120.40 117.33 2ww0 s VAL 147 Ca 0.27 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2ww0 s VAL 147 Cb 0.06 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2ww0 s VAL 147 CO 0.13 -0.23 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.29 2ww0 s LEU 148 N -1.84 2.46 -0.04 2.54 2.96 -0.39 -0.99 118.68 123.37 2ww0 s LEU 148 Ca -0.07 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2ww0 s LEU 148 Cb -0.01 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2ww0 s LEU 148 CO -0.00 0.12 0.09 -0.36 -1.32 0.00 0.00 176.35 174.87 2ww0 s PHE 149 N 0.59 3.35 -0.14 5.38 0.40 -0.19 -1.42 117.98 125.94 2ww0 s PHE 149 Ca -0.10 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2ww0 s PHE 149 Cb -0.16 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2ww0 s PHE 149 CO 0.03 0.58 -0.11 0.50 0.70 0.00 0.00 175.22 176.92 2ww0 s ARG 150 N -1.44 2.00 -0.25 0.44 3.52 0.53 -1.05 118.95 122.71 2ww0 s ARG 150 Ca 0.20 -0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 55.23 2ww0 s ARG 150 Cb -0.12 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 2ww0 s ARG 150 CO 0.10 -0.27 0.13 -0.06 -0.81 0.00 0.00 175.30 174.39 2ww0 s PHE 151 N 1.56 3.20 -0.43 5.12 0.40 0.29 -1.32 117.98 126.80 2ww0 s PHE 151 Ca 0.04 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 2ww0 s PHE 151 Cb -0.13 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.16 2ww0 s PHE 151 CO -0.10 -0.13 0.40 0.99 0.70 0.00 0.00 175.22 177.08 2ww0 s THR 152 N 1.36 5.15 0.29 0.64 2.01 0.15 -1.03 115.64 124.20 2ww0 s THR 152 Ca 0.06 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2ww0 s THR 152 Cb -0.15 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2ww0 s THR 152 CO 0.06 -0.43 0.52 -0.36 -0.69 0.00 0.00 174.62 173.72 2ww0 s PHE 153 N 1.95 3.48 0.85 4.92 0.08 0.04 -1.95 117.98 127.36 2ww0 s PHE 153 Ca 0.09 0.53 -0.10 0.00 0.12 0.00 0.00 56.93 57.56 2ww0 s PHE 153 Cb -0.19 -2.01 0.16 0.00 -0.57 0.00 0.00 43.02 40.40 2ww0 s PHE 153 CO 0.11 0.20 1.18 -1.25 -0.10 0.00 0.00 175.22 175.36 2ww0 s PRO 154 N -3.67 1.20 -0.17 0.24 0.04 -1.24 -0.67 135.00 130.73 2ww0 s PRO 154 Ca 0.42 -0.57 -0.29 0.00 0.04 0.00 0.00 61.00 60.60 2ww0 s PRO 154 Cb -0.11 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2ww0 s PRO 154 CO 0.31 -1.95 1.41 -2.00 0.04 0.00 0.00 177.00 174.81 2ww0 s GLU 155 N -5.58 4.11 -0.14 4.56 2.12 -1.26 -4.33 118.70 118.18 2ww0 s GLU 155 Ca 0.69 1.72 -0.26 0.00 0.36 0.00 0.00 54.97 57.48 2ww0 s GLU 155 Cb -0.05 -3.87 0.06 0.00 0.26 0.00 0.00 34.13 30.53 2ww0 s GLU 155 CO 0.49 -0.89 0.64 1.21 -0.54 0.00 0.00 175.26 176.17 2ww0 s ASN 156 N 2.74 -0.63 0.11 -1.70 3.84 -0.50 -4.88 114.94 113.92 2ww0 s ASN 156 Ca 0.62 0.95 0.28 0.00 0.21 0.00 0.00 52.86 54.91 2ww0 s ASN 156 Cb -0.24 0.90 1.02 0.00 -0.55 0.00 0.00 41.25 42.38 2ww0 s ASN 156 CO 0.21 -0.41 1.85 0.47 -2.79 0.00 0.00 177.10 176.43 2ww0 n ASP 157 N 1.81 0.42 -3.57 -4.21 8.00 -1.26 -0.66 116.55 117.07 2ww0 n ASP 157 Ca -0.17 0.53 -0.28 0.00 0.71 0.00 0.00 54.79 55.59 2ww0 n ASP 157 Cb 0.56 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 2ww0 n ASP 157 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2ww0 s HIS 158 N -3.05 1.82 -0.09 1.24 3.76 -1.26 -4.20 115.29 113.51 2ww0 s HIS 158 Ca 0.12 -2.55 -0.02 0.00 -0.15 0.00 0.00 55.06 52.46 2ww0 s HIS 158 Cb 0.16 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 2ww0 s HIS 158 CO 0.57 -0.75 0.01 -1.12 -0.85 0.00 0.00 174.74 172.60 2ww0 s SER 159 N -0.22 5.28 0.26 1.40 0.01 -0.79 -1.01 113.70 118.64 2ww0 s SER 159 Ca 0.28 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.70 2ww0 s SER 159 Cb -0.04 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.60 2ww0 s SER 159 CO -0.15 0.36 0.07 -0.31 0.41 0.00 0.00 173.24 173.62 2ww0 s TYR 160 N -0.78 1.62 -0.07 2.43 1.51 -0.31 -1.35 117.35 120.40 2ww0 s TYR 160 Ca 0.12 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 2ww0 s TYR 160 Cb -0.12 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2ww0 s TYR 160 CO 0.02 -0.20 -0.08 0.08 -1.11 0.00 0.00 175.55 174.26 2ww0 s VAL 161 N -3.59 0.85 -0.16 0.71 1.01 0.59 -1.62 120.40 118.18 2ww0 s VAL 161 Ca 0.35 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2ww0 s VAL 161 Cb 0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2ww0 s VAL 161 CO 0.13 0.30 0.18 -0.69 0.00 0.00 0.00 175.10 175.02 2ww0 s VAL 162 N 1.01 5.39 -0.16 2.92 1.01 0.13 -1.90 120.40 128.82 2ww0 s VAL 162 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2ww0 s VAL 162 Cb -0.14 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ww0 s VAL 162 CO -0.00 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.74 2ww0 s VAL 163 N 0.02 2.71 -0.25 2.92 1.01 0.34 -0.59 120.40 126.56 2ww0 s VAL 163 Ca 0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2ww0 s VAL 163 Cb -0.12 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.15 2ww0 s VAL 163 CO 0.01 0.51 -0.07 -0.62 0.00 0.00 0.00 175.10 174.93 2ww0 s ASP 164 N 0.83 4.33 0.00 3.32 -1.08 0.24 -0.69 116.67 123.62 2ww0 s ASP 164 Ca -0.05 -1.05 0.29 0.00 -0.52 0.00 0.00 52.55 51.23 2ww0 s ASP 164 Cb -0.15 -1.63 1.28 0.00 -1.46 0.00 0.00 42.92 40.96 2ww0 s ASP 164 CO -0.00 -0.15 1.88 0.00 0.52 0.00 0.00 175.17 177.41 2ww0 n ALA 165 N 4.60 2.63 -0.57 3.66 0.00 -0.77 -1.51 120.51 128.55 2ww0 n ALA 165 Ca -0.16 -0.37 0.08 0.00 0.00 0.00 0.00 53.44 52.99 2ww0 n ALA 165 Cb 0.45 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2ww0 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww0 n PHE 166 N -0.23 -1.43 -2.79 0.00 3.01 -1.26 -4.50 117.46 110.26 2ww0 n PHE 166 Ca 0.20 0.71 0.00 0.00 1.01 0.00 0.00 57.45 59.37 2ww0 n PHE 166 Cb 0.28 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.45 2ww0 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww0 n ASP 167 N -2.29 0.58 -0.36 4.37 5.68 -1.26 -3.84 116.55 119.43 2ww0 n ASP 167 Ca 0.00 -0.50 -0.05 0.00 -0.50 0.00 0.00 54.79 53.75 2ww0 n ASP 167 Cb 0.26 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.22 2ww0 n ASP 167 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ww0 n LYS 168 N -0.35 -0.32 -0.18 0.11 4.76 -0.79 -3.67 118.16 117.73 2ww0 n LYS 168 Ca 0.00 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 2ww0 n LYS 168 Cb 0.00 -4.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.86 2ww0 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww0 n GLY 169 N -2.36 0.00 2.26 0.72 0.00 0.38 -4.71 105.19 101.48 2ww0 n GLY 169 Ca -0.05 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2ww0 n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 170 N 0.00 -0.65 -3.73 1.61 3.41 0.44 -3.73 113.62 110.98 2ww0 n SER 170 Ca 0.00 -2.45 -0.13 0.00 -0.26 0.00 0.00 58.87 56.03 2ww0 n SER 170 Cb 0.00 1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 65.21 2ww0 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2ww0 s TYR 171 N -3.14 -0.46 0.02 7.33 5.04 -0.74 -2.32 117.35 123.08 2ww0 s TYR 171 Ca 0.25 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.98 2ww0 s TYR 171 Cb 0.01 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.46 2ww0 s TYR 171 CO 0.18 -0.22 -0.00 -1.50 -1.34 0.00 0.00 175.55 172.66 2ww0 s ILE 172 N 0.26 0.10 -0.22 3.14 1.10 -0.47 -0.68 121.20 124.43 2ww0 s ILE 172 Ca -0.00 -0.82 -0.13 0.00 -0.51 0.00 0.00 60.65 59.19 2ww0 s ILE 172 Cb -0.03 -0.27 0.07 0.00 0.15 0.00 0.00 42.46 42.38 2ww0 s ILE 172 CO 0.00 -0.45 0.54 -0.75 -2.11 0.00 0.00 174.94 172.17 2ww0 s LYS 173 N -1.35 0.55 -0.21 3.50 2.20 0.42 -1.18 119.74 123.67 2ww0 s LYS 173 Ca -0.15 0.98 -0.09 0.00 -0.36 0.00 0.00 55.97 56.36 2ww0 s LYS 173 Cb -0.09 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2ww0 s LYS 173 CO -0.01 -0.15 0.10 0.42 -0.36 0.00 0.00 175.35 175.36 2ww0 s ILE 174 N 1.44 5.02 -0.63 5.43 1.01 0.22 -1.17 121.20 132.51 2ww0 s ILE 174 Ca -0.09 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2ww0 s ILE 174 Cb -0.07 -3.30 0.16 0.00 0.01 0.00 0.00 42.46 39.26 2ww0 s ILE 174 CO -0.15 0.41 0.41 -0.63 0.00 0.00 0.00 174.94 174.99 2ww0 s ILE 175 N 0.67 3.14 0.25 2.92 1.09 -0.00 -4.90 121.20 124.37 2ww0 s ILE 175 Ca 0.05 -3.50 -0.05 0.00 -1.10 0.00 0.00 60.65 56.06 2ww0 s ILE 175 Cb -0.13 -3.08 0.24 0.00 -1.06 0.00 0.00 42.46 38.43 2ww0 s ILE 175 CO 0.01 -0.90 1.87 -0.65 -0.10 0.00 0.00 174.94 175.18 2ww0 h PRO 176 N 6.34 1.04 0.00 2.79 0.11 -1.97 -1.85 132.00 138.46 2ww0 h PRO 176 Ca 0.01 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2ww0 h PRO 176 Cb 0.87 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2ww0 h PRO 176 CO 0.72 0.69 0.00 0.39 -0.21 0.00 0.00 178.00 179.59 2ww0 n GLU 177 N -4.56 0.27 -0.08 1.05 4.71 -1.26 -0.69 120.64 120.07 2ww0 n GLU 177 Ca 0.13 0.05 0.01 0.00 -0.01 0.00 0.00 57.16 57.35 2ww0 n GLU 177 Cb 0.16 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.11 2ww0 n GLU 177 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2ww0 n GLU 178 N -1.08 1.25 -4.04 3.49 1.02 -0.76 -5.00 120.64 115.52 2ww0 n GLU 178 Ca 0.07 -1.21 -0.29 0.00 -0.02 0.00 0.00 57.16 55.70 2ww0 n GLU 178 Cb 0.05 -0.81 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 2ww0 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww0 n ASN 179 N -0.37 -1.79 -4.10 1.62 3.02 0.13 -4.71 115.26 109.06 2ww0 n ASN 179 Ca 0.02 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.40 2ww0 n ASN 179 Cb 0.46 -3.06 -0.13 0.00 -0.61 0.00 0.00 39.78 36.44 2ww0 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww0 s LYS 180 N -6.68 0.83 -0.08 3.52 2.20 -0.81 -0.51 119.74 118.22 2ww0 s LYS 180 Ca 0.32 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 2ww0 s LYS 180 Cb -0.17 -0.80 0.01 0.00 -1.51 0.00 0.00 37.83 35.35 2ww0 s LYS 180 CO 0.89 0.20 -0.18 0.42 -0.36 0.00 0.00 175.35 176.32 2ww0 s ILE 181 N -0.75 1.60 0.27 5.43 1.01 0.52 -0.82 121.20 128.46 2ww0 s ILE 181 Ca 0.01 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 59.99 2ww0 s ILE 181 Cb -0.07 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2ww0 s ILE 181 CO 0.01 0.46 -0.13 0.27 0.00 0.00 0.00 174.94 175.54 2ww0 s ILE 182 N 0.47 2.04 -0.06 2.92 -4.36 -0.32 -0.14 121.20 121.75 2ww0 s ILE 182 Ca -0.16 -2.25 -0.30 0.00 -0.26 0.00 0.00 60.65 57.67 2ww0 s ILE 182 Cb -0.17 -2.32 0.11 0.00 1.25 0.00 0.00 42.46 41.33 2ww0 s ILE 182 CO 0.06 -0.40 1.35 -0.83 0.24 0.00 0.00 174.94 175.36 2ww0 s GLY 183 N -3.46 -0.27 0.03 6.27 0.00 -0.61 -0.44 107.32 108.84 2ww0 s GLY 183 Ca 0.28 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.37 2ww0 s GLY 183 CO 0.12 4.24 -0.06 -2.52 0.00 0.00 0.00 173.10 174.87 2ww0 s TYR 184 N -2.07 0.56 0.11 1.90 -0.85 0.15 -0.57 117.35 116.58 2ww0 s TYR 184 Ca 0.25 -0.46 0.10 0.00 -0.52 0.00 0.00 57.07 56.44 2ww0 s TYR 184 Cb 0.02 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 2ww0 s TYR 184 CO -0.03 -0.10 -0.22 -0.08 -1.52 0.00 0.00 175.55 173.60 2ww0 s THR 185 N -1.26 2.54 0.00 -3.49 -1.32 -0.32 -1.78 115.64 110.01 2ww0 s THR 185 Ca -0.10 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2ww0 s THR 185 Cb -0.09 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2ww0 s THR 185 CO 0.00 0.15 0.00 0.35 -2.21 0.00 0.00 174.62 172.91 2ww0 n THR 186 N 1.03 0.00 -1.67 5.08 -2.24 -1.24 -1.26 114.28 113.98 2ww0 n THR 186 Ca -0.17 -0.13 -0.52 0.00 -2.27 0.00 0.00 64.05 60.97 2ww0 n THR 186 Cb 0.53 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 2ww0 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww0 n ARG 187 N -0.52 1.61 -4.24 -0.78 0.63 -1.24 -4.74 116.66 107.38 2ww0 n ARG 187 Ca 0.00 0.59 -0.18 0.00 -0.92 0.00 0.00 57.85 57.34 2ww0 n ARG 187 Cb 0.00 -2.32 -0.07 0.00 0.45 0.00 0.00 32.46 30.52 2ww0 n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ww0 s ASN 188 N 2.46 1.45 -0.15 6.15 4.22 -1.26 -3.71 114.94 124.09 2ww0 s ASN 188 Ca 0.90 -1.69 0.18 0.00 -2.14 0.00 0.00 52.86 50.11 2ww0 s ASN 188 Cb -0.87 0.57 0.38 0.00 1.28 0.00 0.00 41.25 42.61 2ww0 s ASN 188 CO 0.52 -1.10 1.25 -1.20 -2.04 0.00 0.00 177.10 174.53 2ww0 n SER 189 N -1.45 2.84 0.00 3.54 7.64 -1.09 -4.97 113.62 120.13 2ww0 n SER 189 Ca 0.06 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2ww0 n SER 189 Cb 0.62 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2ww0 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww0 n GLY 190 N -1.12 0.89 3.31 0.23 0.00 -1.26 -5.04 105.19 102.20 2ww0 n GLY 190 Ca 0.18 -2.20 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 2ww0 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 191 N -0.31 -0.35 3.05 -0.02 0.00 -1.26 -4.61 105.19 101.69 2ww0 n GLY 191 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2ww0 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww0 s VAL 192 N -3.27 0.51 0.78 1.61 -7.23 -1.26 -0.01 120.40 111.52 2ww0 s VAL 192 Ca 0.50 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.53 2ww0 s VAL 192 Cb -0.22 -0.58 0.06 0.00 0.56 0.00 0.00 36.38 36.20 2ww0 s VAL 192 CO 0.62 -0.37 1.09 -2.84 -0.31 0.00 0.00 175.10 173.29 2ww0 s PRO 193 N -1.53 2.22 0.40 4.82 0.02 -1.26 -4.93 135.00 134.75 2ww0 s PRO 193 Ca -0.10 1.18 0.14 0.00 0.02 0.00 0.00 61.00 62.24 2ww0 s PRO 193 Cb -0.10 -1.89 0.98 0.00 0.02 0.00 0.00 34.50 33.51 2ww0 s PRO 193 CO 0.00 -1.68 1.90 0.93 -0.33 0.00 0.00 177.00 177.83 2ww0 h GLU 194 N -1.15 0.49 -0.66 5.54 4.39 -1.98 -1.94 114.58 119.27 2ww0 h GLU 194 Ca -0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2ww0 h GLU 194 Cb 1.23 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2ww0 h GLU 194 CO 0.51 0.32 0.00 0.27 -1.16 0.00 0.00 179.01 178.95 2ww0 n ASN 195 N -4.50 2.21 -4.72 1.42 6.94 -1.26 -4.96 115.26 110.38 2ww0 n ASN 195 Ca 0.15 -2.21 -0.42 0.00 -0.02 0.00 0.00 54.58 52.08 2ww0 n ASN 195 Cb 0.52 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 2ww0 n ASN 195 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2ww0 s PHE 196 N -1.62 2.92 -0.06 -2.53 5.36 -0.73 -5.00 117.98 116.31 2ww0 s PHE 196 Ca 0.18 0.36 -0.13 0.00 -0.96 0.00 0.00 56.93 56.38 2ww0 s PHE 196 Cb 0.12 -4.13 0.03 0.00 -0.34 0.00 0.00 43.02 38.71 2ww0 s PHE 196 CO 0.07 -4.26 0.32 0.15 -1.46 0.00 0.00 175.22 170.05 2ww0 s LYS 197 N 1.18 0.56 -0.26 10.12 1.02 -1.26 -4.82 119.74 126.28 2ww0 s LYS 197 Ca 0.74 0.06 -0.05 0.00 0.02 0.00 0.00 55.97 56.75 2ww0 s LYS 197 Cb -0.49 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2ww0 s LYS 197 CO 0.32 -0.13 0.01 1.21 -0.92 0.00 0.00 175.35 175.84 2ww0 s ASN 198 N -0.74 4.69 -0.14 2.83 3.04 -0.39 -4.51 114.94 119.72 2ww0 s ASN 198 Ca -0.08 -0.63 -0.17 0.00 0.04 0.00 0.00 52.86 52.02 2ww0 s ASN 198 Cb -0.04 -1.79 -0.04 0.00 -1.54 0.00 0.00 41.25 37.84 2ww0 s ASN 198 CO 0.03 -0.12 0.42 -0.31 -3.04 0.00 0.00 177.10 174.08 2ww0 s TYR 199 N 1.46 3.48 0.09 0.43 1.51 0.49 -1.17 117.35 123.63 2ww0 s TYR 199 Ca 0.03 0.77 0.06 0.00 -1.01 0.00 0.00 57.07 56.91 2ww0 s TYR 199 Cb -0.16 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 2ww0 s TYR 199 CO -0.01 0.16 -0.14 -0.59 -1.11 0.00 0.00 175.55 173.86 2ww0 s PHE 200 N 0.69 1.31 -0.01 2.71 -0.12 0.27 -0.46 117.98 122.36 2ww0 s PHE 200 Ca 0.22 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.63 2ww0 s PHE 200 Cb -0.14 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.53 2ww0 s PHE 200 CO 0.08 0.10 -0.11 0.42 -0.05 0.00 0.00 175.22 175.66 2ww0 s ILE 201 N -1.69 0.86 -0.09 -4.49 1.01 -0.37 -1.58 121.20 114.85 2ww0 s ILE 201 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 2ww0 s ILE 201 Cb -0.07 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2ww0 s ILE 201 CO 0.03 0.25 -0.02 -0.63 0.00 0.00 0.00 174.94 174.56 2ww0 s ILE 202 N -0.16 0.58 -0.19 2.92 1.01 0.81 -2.13 121.20 124.04 2ww0 s ILE 202 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 2ww0 s ILE 202 Cb -0.05 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 2ww0 s ILE 202 CO -0.00 0.26 -0.04 -1.61 0.00 0.00 0.00 174.94 173.55 2ww0 s GLU 203 N 1.89 3.52 -0.00 2.79 2.02 -0.09 -0.36 118.70 128.47 2ww0 s GLU 203 Ca 0.05 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 2ww0 s GLU 203 Cb -0.13 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2ww0 s GLU 203 CO -0.06 0.02 0.13 -0.06 0.02 0.00 0.00 175.26 175.31 2ww0 s PHE 204 N 0.94 3.41 -0.42 1.61 0.40 0.34 -0.61 117.98 123.65 2ww0 s PHE 204 Ca 0.00 0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.67 2ww0 s PHE 204 Cb -0.15 -1.78 0.49 0.00 0.51 0.00 0.00 43.02 42.10 2ww0 s PHE 204 CO 0.01 0.60 1.42 -0.40 0.70 0.00 0.00 175.22 177.55 2ww0 n ASP 205 N 1.02 3.84 -3.72 1.36 5.75 -0.93 -4.76 116.55 119.10 2ww0 n ASP 205 Ca -0.12 -2.78 -0.13 0.00 -0.01 0.00 0.00 54.79 51.76 2ww0 n ASP 205 Cb 0.53 -0.66 -0.13 0.00 -1.03 0.00 0.00 41.12 39.82 2ww0 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww0 s LYS 206 N -2.13 0.18 0.41 0.11 2.36 -1.26 -4.90 119.74 114.49 2ww0 s LYS 206 Ca 0.36 0.54 -0.26 0.00 -2.55 0.00 0.00 55.97 54.06 2ww0 s LYS 206 Cb 0.29 -0.12 -0.08 0.00 -1.05 0.00 0.00 37.83 36.86 2ww0 s LYS 206 CO 0.09 -0.18 1.24 -2.14 1.55 0.00 0.00 175.35 175.90 2ww0 s PRO 207 N 1.44 3.99 -0.05 4.03 0.02 -1.26 -4.97 135.00 138.20 2ww0 s PRO 207 Ca -0.07 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.65 2ww0 s PRO 207 Cb -0.11 -2.71 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 2ww0 s PRO 207 CO -0.08 -0.42 1.21 -0.06 -0.33 0.00 0.00 177.00 177.31 2ww0 s PHE 208 N -1.33 3.18 -0.14 6.54 0.08 -1.26 -4.81 117.98 120.23 2ww0 s PHE 208 Ca 0.57 1.19 0.22 0.00 0.12 0.00 0.00 56.93 59.04 2ww0 s PHE 208 Cb -0.35 -3.43 -0.15 0.00 -0.57 0.00 0.00 43.02 38.52 2ww0 s PHE 208 CO 0.44 -1.37 0.79 2.41 -0.10 0.00 0.00 175.22 177.38 2ww0 n THR 209 N 4.61 0.35 -4.18 0.64 -1.04 0.58 -4.89 114.28 110.35 2ww0 n THR 209 Ca 0.11 -0.53 -0.16 0.00 -2.04 0.00 0.00 64.05 61.43 2ww0 n THR 209 Cb 0.46 -0.19 -0.15 0.00 -1.82 0.00 0.00 70.33 68.64 2ww0 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww0 s TYR 210 N -3.43 0.52 -0.11 -1.42 6.14 -0.98 -4.95 117.35 113.12 2ww0 s TYR 210 Ca -0.04 -0.10 -0.09 0.00 0.64 0.00 0.00 57.07 57.48 2ww0 s TYR 210 Cb 0.12 -0.34 0.03 0.00 0.42 0.00 0.00 41.96 42.18 2ww0 s TYR 210 CO 0.84 -0.02 0.28 -1.59 0.64 0.00 0.00 175.55 175.71 2ww0 s LYS 211 N -0.07 0.31 -0.14 4.97 -2.85 -1.26 -0.97 119.74 119.73 2ww0 s LYS 211 Ca 0.01 0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 55.23 2ww0 s LYS 211 Cb -0.03 0.09 0.05 0.00 -2.06 0.00 0.00 37.83 35.88 2ww0 s LYS 211 CO -0.00 -0.07 0.52 0.00 0.10 0.00 0.00 175.35 175.90 2ww0 s ALA 212 N 0.46 -1.30 0.32 0.59 0.00 -0.09 -1.28 121.76 120.45 2ww0 s ALA 212 Ca -0.02 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.26 2ww0 s ALA 212 Cb -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2ww0 s ALA 212 CO -0.02 -0.27 0.42 0.95 0.00 0.00 0.00 175.76 176.83 2ww0 s THR 213 N -0.27 4.14 -0.03 0.00 -4.23 -0.89 -0.20 115.64 114.15 2ww0 s THR 213 Ca -0.04 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2ww0 s THR 213 Cb -0.03 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 2ww0 s THR 213 CO 0.03 -0.19 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.04 2ww0 s VAL 214 N -2.17 1.54 -0.30 2.29 1.01 0.38 -1.00 120.40 122.15 2ww0 s VAL 214 Ca 0.43 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2ww0 s VAL 214 Cb -0.09 -1.31 0.10 0.00 0.00 0.00 0.00 36.38 35.08 2ww0 s VAL 214 CO 0.30 0.44 0.11 -0.70 0.00 0.00 0.00 175.10 175.25 2ww0 s GLU 215 N -0.17 0.54 -1.07 2.72 -6.30 0.13 -2.13 118.70 112.42 2ww0 s GLU 215 Ca 0.00 -0.89 -0.11 0.00 -2.50 0.00 0.00 54.97 51.48 2ww0 s GLU 215 Cb -0.10 -1.71 -0.05 0.00 0.00 0.00 0.00 34.13 32.27 2ww0 s GLU 215 CO 0.01 -1.00 0.87 0.09 0.02 0.00 0.00 175.26 175.26 2ww0 n ASN 216 N 4.98 -6.27 0.00 -1.70 5.03 -1.15 -1.97 115.26 114.18 2ww0 n ASN 216 Ca -0.03 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.63 2ww0 n ASN 216 Cb 0.42 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.58 2ww0 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 217 N -1.40 2.16 3.70 7.41 0.00 -1.26 -4.98 105.19 110.82 2ww0 n GLY 217 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2ww0 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 218 N -0.59 7.15 -0.14 1.61 -0.87 -0.83 -4.95 114.94 116.30 2ww0 s ASN 218 Ca 0.00 1.80 -0.25 0.00 -1.57 0.00 0.00 52.86 52.84 2ww0 s ASN 218 Cb 0.00 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 2ww0 s ASN 218 CO 0.00 -0.47 0.80 -0.22 -2.57 0.00 0.00 177.10 174.64 2ww0 s LEU 219 N 1.64 4.21 -0.30 0.60 2.96 -1.26 -0.70 118.68 125.84 2ww0 s LEU 219 Ca 0.55 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 2ww0 s LEU 219 Cb -0.24 -3.20 0.09 0.00 0.50 0.00 0.00 46.19 43.33 2ww0 s LEU 219 CO 0.24 -0.33 0.04 -1.10 -1.32 0.00 0.00 176.35 173.88 2ww0 s GLN 220 N 1.83 1.23 0.21 1.98 -0.21 -0.17 -5.00 119.66 119.54 2ww0 s GLN 220 Ca 0.38 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 2ww0 s GLN 220 Cb -0.17 -2.57 -0.09 0.00 1.00 0.00 0.00 33.01 31.18 2ww0 s GLN 220 CO 0.14 -0.85 1.38 -2.00 -2.12 0.00 0.00 175.29 171.85 2ww0 s GLU 221 N 1.32 4.32 0.00 2.91 2.12 -1.26 -2.10 118.70 126.01 2ww0 s GLU 221 Ca 0.05 2.17 0.00 0.00 0.36 0.00 0.00 54.97 57.56 2ww0 s GLU 221 Cb -0.18 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2ww0 s GLU 221 CO -0.14 -0.36 0.00 0.09 -0.54 0.00 0.00 175.26 174.32 2ww0 n ASN 222 N 2.71 -4.16 -4.62 -1.70 3.02 -0.41 -4.94 115.26 105.16 2ww0 n ASN 222 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2ww0 n ASN 222 Cb 0.41 -2.12 -0.05 0.00 -0.61 0.00 0.00 39.78 37.41 2ww0 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww0 s VAL 223 N -1.53 4.85 0.15 2.41 1.01 -1.17 -4.96 120.40 121.15 2ww0 s VAL 223 Ca 0.00 1.22 0.20 0.00 0.00 0.00 0.00 61.98 63.40 2ww0 s VAL 223 Cb 0.00 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.44 2ww0 s VAL 223 CO 0.00 -0.16 1.75 0.00 0.00 0.00 0.00 175.10 176.69 2ww0 h ALA 224 N 8.00 1.00 -2.93 5.51 0.00 -1.90 -3.21 119.26 125.73 2ww0 h ALA 224 Ca -0.25 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 2ww0 h ALA 224 Cb 1.10 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.59 2ww0 h ALA 224 CO 0.86 0.43 -0.34 -2.00 0.00 0.00 0.00 179.25 178.20 2ww0 s GLU 225 N -3.60 0.38 -0.03 0.00 2.12 -1.26 -0.61 118.70 115.69 2ww0 s GLU 225 Ca 0.00 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2ww0 s GLU 225 Cb 0.11 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.69 2ww0 s GLU 225 CO 0.68 -0.05 0.01 -0.65 -0.54 0.00 0.00 175.26 174.70 2ww0 s GLN 226 N 0.26 0.23 -0.29 4.30 -1.52 -0.32 -5.01 119.66 117.32 2ww0 s GLN 226 Ca -0.01 0.10 0.02 0.00 -1.95 0.00 0.00 55.36 53.52 2ww0 s GLN 226 Cb -0.03 -0.43 0.07 0.00 -0.22 0.00 0.00 33.01 32.40 2ww0 s GLN 226 CO -0.00 -0.14 -0.05 0.99 -0.25 0.00 0.00 175.29 175.84 2ww0 s THR 227 N 1.02 2.36 0.29 -0.19 2.01 -1.26 -1.37 115.64 118.50 2ww0 s THR 227 Ca -0.10 -1.77 -0.19 0.00 0.31 0.00 0.00 61.69 59.95 2ww0 s THR 227 Cb -0.13 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 69.96 2ww0 s THR 227 CO -0.02 -0.19 0.88 0.28 -0.69 0.00 0.00 174.62 174.88 2ww0 s THR 228 N 1.08 0.00 0.14 -0.82 -1.32 -0.98 -5.03 115.64 108.71 2ww0 s THR 228 Ca -0.04 -0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 59.42 2ww0 s THR 228 Cb -0.20 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.05 2ww0 s THR 228 CO -0.05 0.00 1.73 -0.78 -2.21 0.00 0.00 174.62 173.31 2ww0 h ASP 229 N 2.00 -0.02 -3.15 8.08 3.58 -1.93 0.13 116.42 125.11 2ww0 h ASP 229 Ca -0.29 0.05 -0.60 0.00 0.42 0.00 0.00 57.03 56.61 2ww0 h ASP 229 Cb 1.24 0.07 -0.40 0.00 1.72 0.00 0.00 39.33 41.96 2ww0 h ASP 229 CO 0.36 0.02 -0.78 -2.28 -2.88 0.00 0.00 179.24 173.69 2ww0 s HIS 230 N -6.18 1.49 0.35 0.28 2.46 -1.26 0.14 115.29 112.58 2ww0 s HIS 230 Ca -0.13 -2.06 -0.15 0.00 0.47 0.00 0.00 55.06 53.19 2ww0 s HIS 230 Cb 0.11 -1.52 -0.09 0.00 -0.13 0.00 0.00 32.58 30.95 2ww0 s HIS 230 CO 0.70 -0.81 0.78 0.00 -2.47 0.00 0.00 174.74 172.93 2ww0 s ALA 231 N 0.75 3.28 0.23 1.58 0.00 -1.25 -2.92 121.76 123.43 2ww0 s ALA 231 Ca 0.17 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 2ww0 s ALA 231 Cb -0.23 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2ww0 s ALA 231 CO -0.02 0.24 0.60 0.20 0.00 0.00 0.00 175.76 176.77 2ww0 s GLY 232 N -2.42 -0.06 0.02 0.00 0.00 -0.90 -1.85 107.32 102.11 2ww0 s GLY 232 Ca 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2ww0 s GLY 232 CO 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 173.10 173.06 2ww0 s ALA 233 N -3.90 0.11 -0.07 3.20 0.00 0.13 0.14 121.76 121.37 2ww0 s ALA 233 Ca 0.11 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2ww0 s ALA 233 Cb -0.03 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2ww0 s ALA 233 CO 0.01 -0.13 -0.10 0.42 0.00 0.00 0.00 175.76 175.97 2ww0 s ILE 234 N -1.18 1.01 0.18 0.00 1.01 0.73 -0.50 121.20 122.45 2ww0 s ILE 234 Ca -0.13 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.24 2ww0 s ILE 234 Cb -0.08 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2ww0 s ILE 234 CO -0.01 0.34 -0.20 0.27 0.00 0.00 0.00 174.94 175.34 2ww0 s ILE 235 N 0.97 2.00 0.33 2.92 -5.25 -0.80 -0.92 121.20 120.46 2ww0 s ILE 235 Ca -0.09 -2.00 -0.07 0.00 -0.99 0.00 0.00 60.65 57.50 2ww0 s ILE 235 Cb -0.15 -1.96 0.01 0.00 2.95 0.00 0.00 42.46 43.32 2ww0 s ILE 235 CO 0.00 -0.28 0.53 -0.83 -1.79 0.00 0.00 174.94 172.57 2ww0 s GLY 236 N -2.76 1.09 -0.03 6.27 0.00 -0.14 -0.30 107.32 111.45 2ww0 s GLY 236 Ca 0.18 -1.25 -0.31 0.00 0.00 0.00 0.00 44.72 43.35 2ww0 s GLY 236 CO 0.08 -0.80 1.31 -0.11 0.00 0.00 0.00 173.10 173.58 2ww0 s PHE 237 N -3.10 -0.04 0.14 1.90 -0.00 -0.46 -0.31 117.98 116.12 2ww0 s PHE 237 Ca 0.26 -0.05 -0.25 0.00 -0.00 0.00 0.00 56.93 56.89 2ww0 s PHE 237 Cb -0.01 0.54 -0.07 0.00 -0.00 0.00 0.00 43.02 43.47 2ww0 s PHE 237 CO 0.16 -0.24 0.75 0.15 -0.00 0.00 0.00 175.22 176.04 2ww0 s LYS 238 N -2.38 4.52 0.02 1.99 1.02 -1.26 -1.88 119.74 121.77 2ww0 s LYS 238 Ca 0.14 1.10 0.07 0.00 0.02 0.00 0.00 55.97 57.29 2ww0 s LYS 238 Cb 0.05 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2ww0 s LYS 238 CO -0.04 0.54 -0.19 0.95 -0.92 0.00 0.00 175.35 175.68 2ww0 s THR 239 N -0.99 1.55 0.46 2.17 -4.23 0.16 -4.98 115.64 109.79 2ww0 s THR 239 Ca 0.35 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 2ww0 s THR 239 Cb -0.22 -1.34 -0.06 0.00 1.34 0.00 0.00 72.50 72.22 2ww0 s THR 239 CO 0.25 0.26 0.85 -0.13 -0.54 0.00 0.00 174.62 175.31 2ww0 s ARG 240 N -0.91 3.77 0.00 3.99 0.52 -1.26 -1.41 118.95 123.64 2ww0 s ARG 240 Ca 0.07 0.58 -0.35 0.00 -0.52 0.00 0.00 55.73 55.50 2ww0 s ARG 240 Cb -0.08 -2.30 -0.14 0.00 0.52 0.00 0.00 34.95 32.95 2ww0 s ARG 240 CO 0.01 -0.17 1.66 1.17 0.02 0.00 0.00 175.30 177.99 2ww0 n LYS 241 N -1.64 1.86 -0.96 3.54 4.81 -1.26 -1.31 118.16 123.19 2ww0 n LYS 241 Ca 0.04 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2ww0 n LYS 241 Cb 0.54 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.15 2ww0 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww0 n GLY 242 N 3.71 0.92 3.75 3.14 0.00 0.16 -4.85 105.19 112.02 2ww0 n GLY 242 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 243 N -0.04 4.11 -0.14 1.61 2.12 -0.43 -4.63 118.70 121.30 2ww0 s GLU 243 Ca 0.00 2.60 -0.05 0.00 0.36 0.00 0.00 54.97 57.88 2ww0 s GLU 243 Cb 0.00 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2ww0 s GLU 243 CO 0.00 -0.66 0.03 -0.65 -0.54 0.00 0.00 175.26 173.44 2ww0 s GLN 244 N -0.30 3.56 -0.12 4.30 -0.21 -1.26 -0.78 119.66 124.86 2ww0 s GLN 244 Ca 0.65 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.68 2ww0 s GLN 244 Cb -0.48 -3.02 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 2ww0 s GLN 244 CO 0.46 0.45 -0.21 0.08 -2.12 0.00 0.00 175.29 173.95 2ww0 s VAL 245 N -0.15 2.33 -0.03 1.09 1.01 -0.20 -4.96 120.40 119.49 2ww0 s VAL 245 Ca 0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2ww0 s VAL 245 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2ww0 s VAL 245 CO 0.02 0.55 0.09 0.20 0.00 0.00 0.00 175.10 175.96 2ww0 s ASN 246 N 0.43 5.81 -0.12 3.32 0.01 -1.26 -0.55 114.94 122.58 2ww0 s ASN 246 Ca -0.15 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2ww0 s ASN 246 Cb -0.17 -1.72 0.02 0.00 0.41 0.00 0.00 41.25 39.79 2ww0 s ASN 246 CO 0.06 0.31 -0.11 0.00 -1.51 0.00 0.00 177.10 175.85 2ww0 s ALA 247 N -1.14 1.54 -0.16 0.60 0.00 -0.22 -2.19 121.76 120.19 2ww0 s ALA 247 Ca 0.21 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 2ww0 s ALA 247 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2ww0 s ALA 247 CO 0.11 -0.32 0.53 1.03 0.00 0.00 0.00 175.76 177.12 2ww0 s ARG 248 N 1.45 4.27 0.03 0.00 0.52 0.22 -1.02 118.95 124.42 2ww0 s ARG 248 Ca 0.02 0.49 0.05 0.00 -0.52 0.00 0.00 55.73 55.76 2ww0 s ARG 248 Cb -0.13 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 2ww0 s ARG 248 CO -0.07 -0.03 -0.15 0.42 0.02 0.00 0.00 175.30 175.50 2ww0 s ILE 249 N 1.22 1.16 0.13 1.52 1.01 -0.16 -0.92 121.20 125.16 2ww0 s ILE 249 Ca 0.26 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2ww0 s ILE 249 Cb -0.15 -1.03 0.05 0.00 0.01 0.00 0.00 42.46 41.33 2ww0 s ILE 249 CO 0.11 0.06 0.48 0.00 0.00 0.00 0.00 174.94 175.59 2ww0 s ALA 250 N -0.78 -1.20 0.17 9.38 0.00 -0.90 -0.83 121.76 127.60 2ww0 s ALA 250 Ca 0.03 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 2ww0 s ALA 250 Cb -0.08 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2ww0 s ALA 250 CO 0.01 -0.68 0.20 -1.54 0.00 0.00 0.00 175.76 173.75 2ww0 s SER 251 N -2.73 0.13 0.05 0.00 1.04 -1.22 -1.24 113.70 109.74 2ww0 s SER 251 Ca 0.02 -1.12 -0.06 0.00 0.48 0.00 0.00 55.95 55.27 2ww0 s SER 251 Cb 0.01 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2ww0 s SER 251 CO -0.12 -0.86 0.11 -0.55 0.98 0.00 0.00 173.24 172.80 2ww0 s SER 252 N -3.05 0.19 0.00 7.02 0.15 0.39 -4.72 113.70 113.69 2ww0 s SER 252 Ca 0.26 -0.60 0.22 0.00 0.70 0.00 0.00 55.95 56.53 2ww0 s SER 252 Cb 0.05 0.25 0.53 0.00 -1.71 0.00 0.00 66.02 65.14 2ww0 s SER 252 CO 0.05 -0.57 1.44 0.49 1.20 0.00 0.00 173.24 175.86 2ww0 n PHE 253 N 0.52 0.45 -0.06 3.44 3.01 -1.26 -0.38 117.46 123.19 2ww0 n PHE 253 Ca -0.18 -0.23 -0.10 0.00 1.01 0.00 0.00 57.45 57.96 2ww0 n PHE 253 Cb 0.60 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 2ww0 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww0 n ILE 254 N 1.11 1.28 -3.61 4.37 5.41 -1.26 -4.74 119.36 121.92 2ww0 n ILE 254 Ca 0.18 0.09 -0.05 0.00 1.00 0.00 0.00 62.75 63.97 2ww0 n ILE 254 Cb 0.51 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 2ww0 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww0 s SER 255 N -6.15 -0.23 0.25 4.38 1.04 -1.26 -4.99 113.70 106.74 2ww0 s SER 255 Ca -0.21 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 2ww0 s SER 255 Cb 0.05 0.36 0.30 0.00 0.10 0.00 0.00 66.02 66.83 2ww0 s SER 255 CO 0.29 -0.62 1.81 -0.26 0.98 0.00 0.00 173.24 175.43 2ww0 h PHE 256 N 2.00 1.01 -0.83 5.02 0.04 -1.94 0.27 116.94 122.51 2ww0 h PHE 256 Ca -0.22 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.47 2ww0 h PHE 256 Cb 1.22 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 2ww0 h PHE 256 CO 0.31 0.80 0.54 1.49 -0.60 0.00 0.00 178.31 180.85 2ww0 h GLU 257 N 0.95 1.10 -0.23 1.51 4.81 -1.99 0.04 114.58 120.76 2ww0 h GLU 257 Ca 0.21 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 2ww0 h GLU 257 Cb 0.27 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ww0 h GLU 257 CO -0.01 0.74 -0.39 0.37 -0.73 0.00 0.00 179.01 178.99 2ww0 h GLN 258 N 1.13 0.54 -0.85 1.92 5.75 -1.84 -1.72 115.11 120.03 2ww0 h GLN 258 Ca 0.30 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2ww0 h GLN 258 Cb -0.11 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2ww0 h GLN 258 CO -0.06 0.84 0.45 0.00 -2.65 0.00 0.00 178.83 177.41 2ww0 h ALA 259 N 1.13 1.10 -0.30 3.38 0.00 -0.16 0.14 119.26 124.55 2ww0 h ALA 259 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2ww0 h ALA 259 Cb 0.88 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2ww0 h ALA 259 CO 0.07 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.77 2ww0 h ALA 260 N 1.24 1.13 -0.32 0.00 0.00 -0.54 -1.33 119.26 119.44 2ww0 h ALA 260 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2ww0 h ALA 260 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ww0 h ALA 260 CO -0.04 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 2ww0 h ALA 261 N 1.32 0.44 -0.47 0.00 0.00 -0.72 -2.94 119.26 116.89 2ww0 h ALA 261 Ca 0.08 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2ww0 h ALA 261 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2ww0 h ALA 261 CO 0.04 0.24 0.31 -0.91 0.00 0.00 0.00 179.25 178.94 2ww0 h ASN 262 N 0.38 0.29 -0.18 0.00 2.35 -0.39 -1.21 115.58 116.82 2ww0 h ASN 262 Ca 0.08 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2ww0 h ASN 262 Cb 0.53 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2ww0 h ASN 262 CO 0.03 0.19 0.23 -0.03 -1.65 0.00 0.00 177.43 176.20 2ww0 h MET 263 N 0.33 0.00 0.00 0.81 4.05 -1.07 -0.89 114.93 118.16 2ww0 h MET 263 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2ww0 h MET 263 Cb 0.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2ww0 h MET 263 CO -0.05 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.18 2ww0 n ASN 264 N -3.66 0.11 0.30 1.39 5.03 -0.46 -1.92 115.26 116.05 2ww0 n ASN 264 Ca 0.02 0.53 0.17 0.00 0.87 0.00 0.00 54.58 56.16 2ww0 n ASN 264 Cb 0.35 -0.55 0.95 0.00 -1.02 0.00 0.00 39.78 39.52 2ww0 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww0 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.35 -0.89 114.58 120.95 2ww0 h GLU 265 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ww0 h GLU 265 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ww0 h GLU 265 CO 0.00 0.03 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.88 2ww0 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.61 -3.49 115.31 114.93 2ww0 h LEU 266 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ww0 h LEU 266 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ww0 h LEU 266 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2ww0 n GLY 267 N 0.95 3.13 0.76 0.83 0.00 -0.34 -1.83 105.19 108.69 2ww0 n GLY 267 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2ww0 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 268 N 14.00 2.12 -2.23 1.61 4.76 -1.26 -4.98 118.16 132.18 2ww0 n LYS 268 Ca 0.00 -2.92 -0.33 0.00 -2.87 0.00 0.00 58.31 52.19 2ww0 n LYS 268 Cb 0.00 -1.74 -0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2ww0 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww0 s ASP 269 N -2.43 5.94 0.60 4.39 1.01 -0.76 -5.07 116.67 120.35 2ww0 s ASP 269 Ca 0.40 1.90 0.06 0.00 0.71 0.00 0.00 52.55 55.62 2ww0 s ASP 269 Cb 0.35 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.84 2ww0 s ASP 269 CO 0.04 -1.06 0.81 -0.46 0.21 0.00 0.00 175.17 174.71 2ww0 n ASN 270 N -1.60 1.71 -0.06 0.27 0.23 -1.26 -4.90 115.26 109.65 2ww0 n ASN 270 Ca 0.09 -2.30 -0.07 0.00 -0.53 0.00 0.00 54.58 51.77 2ww0 n ASN 270 Cb 0.52 -0.47 -0.01 0.00 -2.08 0.00 0.00 39.78 37.74 2ww0 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww0 h ILE 271 N -0.15 0.45 -0.22 1.53 1.08 -1.96 -1.63 117.51 116.59 2ww0 h ILE 271 Ca -0.27 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2ww0 h ILE 271 Cb 1.16 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 2ww0 h ILE 271 CO 0.35 0.00 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.44 2ww0 h GLU 272 N -0.19 0.02 -0.63 2.37 3.07 -1.98 0.98 114.58 118.21 2ww0 h GLU 272 Ca 0.15 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2ww0 h GLU 272 Cb 0.41 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2ww0 h GLU 272 CO -0.38 0.01 0.28 1.96 -1.40 0.00 0.00 179.01 179.48 2ww0 h GLN 273 N 0.02 0.93 -0.31 2.33 4.20 -1.88 -0.46 115.11 119.95 2ww0 h GLN 273 Ca 0.11 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2ww0 h GLN 273 Cb 0.15 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 2ww0 h GLN 273 CO -0.21 0.77 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.33 2ww0 h LEU 274 N 0.88 0.82 -0.39 1.46 3.38 -1.00 -1.45 115.31 119.01 2ww0 h LEU 274 Ca 0.21 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2ww0 h LEU 274 Cb 0.17 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2ww0 h LEU 274 CO -0.02 1.12 -0.02 0.00 0.09 0.00 0.00 178.44 179.61 2ww0 h ALA 275 N 0.72 0.34 -0.81 1.53 0.00 -0.68 0.28 119.26 120.63 2ww0 h ALA 275 Ca 0.05 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ww0 h ALA 275 Cb 0.90 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2ww0 h ALA 275 CO 0.08 -0.41 0.52 0.37 0.00 0.00 0.00 179.25 179.80 2ww0 h GLN 276 N 0.08 0.96 -0.49 0.00 5.75 -0.81 0.77 115.11 121.37 2ww0 h GLN 276 Ca 0.19 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2ww0 h GLN 276 Cb 0.28 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2ww0 h GLN 276 CO -0.34 0.63 -0.03 0.87 -2.65 0.00 0.00 178.83 177.31 2ww0 h LYS 277 N 0.99 0.89 -0.64 1.69 1.57 -0.45 0.92 116.57 121.53 2ww0 h LYS 277 Ca 0.33 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2ww0 h LYS 277 Cb 0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2ww0 h LYS 277 CO -0.13 0.94 0.19 0.78 -0.57 0.00 0.00 179.45 180.65 2ww0 h GLY 278 N 0.74 1.08 0.96 3.86 0.00 -0.60 0.05 103.07 109.16 2ww0 h GLY 278 Ca 0.14 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2ww0 h GLY 278 CO 0.03 0.61 0.12 1.70 0.00 0.00 0.00 176.54 178.99 2ww0 h LYS 279 N 0.93 0.23 -0.57 4.80 3.64 -0.52 -0.04 116.57 125.04 2ww0 h LYS 279 Ca 0.20 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2ww0 h LYS 279 Cb 0.31 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 2ww0 h LYS 279 CO -0.00 0.15 0.26 -0.44 -2.27 0.00 0.00 179.45 177.15 2ww0 h ASP 280 N 0.24 0.35 -0.51 4.20 3.32 -0.63 0.35 116.42 123.73 2ww0 h ASP 280 Ca 0.08 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2ww0 h ASP 280 Cb -0.01 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2ww0 h ASP 280 CO -0.04 0.23 0.33 0.00 -1.72 0.00 0.00 179.24 178.04 2ww0 h ALA 281 N 1.33 0.66 -0.18 3.45 0.00 -0.28 -0.43 119.26 123.82 2ww0 h ALA 281 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2ww0 h ALA 281 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ww0 h ALA 281 CO -0.21 0.06 -0.24 -1.49 0.00 0.00 0.00 179.25 177.37 2ww0 h TRP 282 N 0.66 0.58 -0.01 0.00 4.06 -0.72 -2.99 115.95 117.52 2ww0 h TRP 282 Ca 0.20 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2ww0 h TRP 282 Cb -0.03 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2ww0 h TRP 282 CO -0.05 0.87 -0.08 -0.91 -3.56 0.00 0.00 178.44 174.71 2ww0 h ASN 283 N 0.12 0.02 -0.42 -3.49 -0.26 -0.76 0.95 115.58 111.73 2ww0 h ASN 283 Ca 0.02 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2ww0 h ASN 283 Cb 0.81 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 2ww0 h ASN 283 CO 0.06 0.10 0.23 -0.61 -1.06 0.00 0.00 177.43 176.14 2ww0 h GLN 284 N 0.02 0.63 0.06 0.81 5.75 -0.93 0.12 115.11 121.57 2ww0 h GLN 284 Ca 0.00 -0.07 -0.37 0.00 -0.15 0.00 0.00 58.65 58.07 2ww0 h GLN 284 Cb 0.16 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 2ww0 h GLN 284 CO 0.01 0.48 -2.17 1.33 -2.65 0.00 0.00 178.83 175.83 2ww0 n VAL 285 N -4.40 1.64 -0.24 2.39 0.24 -0.45 -4.13 118.33 113.38 2ww0 n VAL 285 Ca 0.04 -0.65 -0.02 0.00 -2.04 0.00 0.00 64.34 61.67 2ww0 n VAL 285 Cb 0.11 -1.48 0.18 0.00 -1.47 0.00 0.00 33.84 31.18 2ww0 n VAL 285 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ww0 h LEU 286 N 0.04 0.93 0.00 1.34 3.38 -0.87 -2.84 115.31 117.29 2ww0 h LEU 286 Ca -0.48 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2ww0 h LEU 286 Cb 2.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2ww0 h LEU 286 CO 0.02 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.91 2ww0 n GLY 287 N -1.20 -0.83 0.08 0.83 0.00 0.43 -2.31 105.19 102.19 2ww0 n GLY 287 Ca 0.08 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2ww0 n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 288 N -1.40 0.12 -3.67 1.61 4.76 -1.07 -4.20 118.16 114.31 2ww0 n LYS 288 Ca 0.04 0.37 -0.29 0.00 -2.87 0.00 0.00 58.31 55.56 2ww0 n LYS 288 Cb 0.13 -1.73 -0.15 0.00 -1.84 0.00 0.00 35.03 31.44 2ww0 n LYS 288 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ww0 s ILE 289 N -3.20 0.50 -0.15 -0.18 1.01 -0.98 -0.92 121.20 117.28 2ww0 s ILE 289 Ca 0.05 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 2ww0 s ILE 289 Cb 0.09 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2ww0 s ILE 289 CO 0.33 -0.63 0.20 -1.61 0.00 0.00 0.00 174.94 173.23 2ww0 s GLU 290 N 1.82 3.96 0.04 2.79 2.02 -0.69 -4.94 118.70 123.69 2ww0 s GLU 290 Ca 0.08 -0.06 0.07 0.00 0.02 0.00 0.00 54.97 55.08 2ww0 s GLU 290 Cb -0.17 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2ww0 s GLU 290 CO -0.27 0.46 -0.21 0.14 0.02 0.00 0.00 175.26 175.40 2ww0 s VAL 291 N -0.15 1.70 0.18 2.63 -7.23 -1.26 -0.30 120.40 115.97 2ww0 s VAL 291 Ca 0.14 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2ww0 s VAL 291 Cb -0.12 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2ww0 s VAL 291 CO 0.03 0.25 0.13 -1.61 -0.31 0.00 0.00 175.10 173.59 2ww0 s GLU 292 N -1.10 1.13 -0.52 4.82 2.02 0.34 -4.94 118.70 120.46 2ww0 s GLU 292 Ca 0.08 -1.53 -0.01 0.00 0.02 0.00 0.00 54.97 53.53 2ww0 s GLU 292 Cb -0.09 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2ww0 s GLU 292 CO 0.01 -0.36 0.44 0.41 0.02 0.00 0.00 175.26 175.78 2ww0 n GLY 293 N -0.22 0.19 3.25 -1.39 0.00 -1.26 -2.22 105.19 103.54 2ww0 n GLY 293 Ca -0.01 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 2ww0 n GLY 293 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ww0 s GLY 294 N -3.42 1.76 0.65 -0.02 0.00 -1.26 -2.71 107.32 102.32 2ww0 s GLY 294 Ca 0.08 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 2ww0 s GLY 294 CO 0.30 -1.39 0.92 0.54 0.00 0.00 0.00 173.10 173.47 2ww0 s ASN 295 N -3.24 4.94 0.27 1.64 2.20 -1.26 -4.91 114.94 114.59 2ww0 s ASN 295 Ca 0.39 0.23 -0.03 0.00 -0.94 0.00 0.00 52.86 52.51 2ww0 s ASN 295 Cb 0.05 -0.95 0.37 0.00 -2.00 0.00 0.00 41.25 38.72 2ww0 s ASN 295 CO 0.18 -1.45 1.87 0.25 -2.94 0.00 0.00 177.10 175.01 2ww0 h LEU 296 N -0.35 0.90 -0.70 3.54 5.85 -2.02 -1.69 115.31 120.84 2ww0 h LEU 296 Ca -0.43 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.25 2ww0 h LEU 296 Cb 1.31 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2ww0 h LEU 296 CO 0.56 0.77 0.38 0.44 -0.34 0.00 0.00 178.44 180.25 2ww0 h ASP 297 N 0.98 0.55 -0.43 1.25 3.32 -1.99 -1.43 116.42 118.68 2ww0 h ASP 297 Ca 0.24 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 2ww0 h ASP 297 Cb 0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2ww0 h ASP 297 CO -0.03 0.34 -0.07 1.56 -1.72 0.00 0.00 179.24 179.32 2ww0 h GLN 298 N 0.68 0.80 -0.45 3.56 4.20 -1.71 0.34 115.11 122.53 2ww0 h GLN 298 Ca 0.32 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ww0 h GLN 298 Cb 0.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2ww0 h GLN 298 CO -0.21 0.90 0.29 1.88 -0.67 0.00 0.00 178.83 181.03 2ww0 h TYR 299 N 0.63 0.57 -0.43 2.96 0.05 -1.05 0.20 116.97 119.90 2ww0 h TYR 299 Ca 0.11 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 2ww0 h TYR 299 Cb 0.59 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2ww0 h TYR 299 CO 0.05 0.36 -0.02 0.00 -1.05 0.00 0.00 178.16 177.50 2ww0 h ARG 300 N 0.61 0.77 -0.26 4.88 3.08 -0.92 -0.31 114.38 122.22 2ww0 h ARG 300 Ca 0.16 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2ww0 h ARG 300 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2ww0 h ARG 300 CO -0.03 0.85 0.17 1.15 -1.07 0.00 0.00 179.97 181.04 2ww0 h THR 301 N 0.60 1.07 -0.07 2.04 2.02 0.03 -1.46 112.91 117.15 2ww0 h THR 301 Ca 0.12 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2ww0 h THR 301 Cb 0.52 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2ww0 h THR 301 CO 0.03 0.07 0.01 0.15 0.37 0.00 0.00 175.52 176.15 2ww0 h PHE 302 N 0.35 0.12 0.00 3.16 3.57 -0.20 -1.42 116.94 122.51 2ww0 h PHE 302 Ca 0.10 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 2ww0 h PHE 302 Cb -0.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2ww0 h PHE 302 CO -0.06 0.32 -0.73 1.88 -2.23 0.00 0.00 178.31 177.49 2ww0 h TYR 303 N -0.11 0.00 -0.46 0.41 0.05 -1.07 -1.46 116.97 114.33 2ww0 h TYR 303 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2ww0 h TYR 303 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2ww0 h TYR 303 CO 0.01 0.73 0.22 0.77 -1.05 0.00 0.00 178.16 178.85 2ww0 h SER 304 N 0.00 0.60 -0.73 3.88 0.02 -1.20 -0.11 113.55 116.00 2ww0 h SER 304 Ca -0.01 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2ww0 h SER 304 Cb 1.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2ww0 h SER 304 CO 0.10 0.55 0.44 0.00 -1.14 0.00 0.00 176.83 176.77 2ww0 h LEU 306 N 1.00 0.63 -0.50 0.00 5.85 -0.96 -1.67 115.31 119.66 2ww0 h LEU 306 Ca 0.26 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.82 2ww0 h LEU 306 Cb -0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2ww0 h LEU 306 CO -0.05 0.68 0.20 0.22 -0.34 0.00 0.00 178.44 179.16 2ww0 h TYR 307 N 0.54 0.36 0.00 1.25 3.20 -0.65 -0.17 116.97 121.51 2ww0 h TYR 307 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2ww0 h TYR 307 Cb 0.29 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2ww0 h TYR 307 CO 0.02 0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.68 2ww0 h ARG 308 N 0.40 0.00 -0.06 1.82 2.47 -0.38 -1.81 114.38 116.81 2ww0 h ARG 308 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2ww0 h ARG 308 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2ww0 h ARG 308 CO -0.22 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.74 2ww0 n SER 309 N -2.31 2.17 -0.35 7.04 7.64 -0.09 -3.76 113.62 123.95 2ww0 n SER 309 Ca 0.00 -1.73 0.08 0.00 1.01 0.00 0.00 58.87 58.23 2ww0 n SER 309 Cb 0.13 -0.03 0.17 0.00 -1.01 0.00 0.00 64.21 63.48 2ww0 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww0 n LEU 310 N 0.69 2.69 -0.11 -3.43 4.77 -0.68 -4.74 117.00 116.20 2ww0 n LEU 310 Ca 0.17 -3.35 -0.20 0.00 -0.03 0.00 0.00 56.01 52.60 2ww0 n LEU 310 Cb 0.45 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2ww0 n LEU 310 CO 0.16 0.93 -1.23 0.18 -1.33 0.00 0.00 177.39 176.10 2ww0 n LEU 311 N -1.25 2.19 -4.88 2.23 4.77 -1.25 -0.80 117.00 118.00 2ww0 n LEU 311 Ca 0.18 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 2ww0 n LEU 311 Cb 0.70 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2ww0 n LEU 311 CO 0.02 0.63 0.03 -0.36 -1.33 0.00 0.00 177.39 176.38 2ww0 s PHE 312 N -2.41 2.03 0.06 -1.77 0.40 -1.26 -3.46 117.98 111.56 2ww0 s PHE 312 Ca -0.30 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.19 2ww0 s PHE 312 Cb 0.10 -2.01 -0.08 0.00 0.51 0.00 0.00 43.02 41.54 2ww0 s PHE 312 CO 0.43 -0.34 0.31 -0.35 0.70 0.00 0.00 175.22 175.96 2ww0 n PRO 313 N -1.67 0.00 -2.15 0.24 -0.04 -1.26 -5.00 135.00 125.12 2ww0 n PRO 313 Ca 0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.15 2ww0 n PRO 313 Cb 0.63 -0.50 -0.00 0.00 -0.04 0.00 0.00 33.50 33.58 2ww0 n PRO 313 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ww0 s ARG 314 N -0.28 3.55 0.22 0.54 1.70 -0.55 -4.75 118.95 119.39 2ww0 s ARG 314 Ca 0.32 1.07 -0.31 0.00 -0.47 0.00 0.00 55.73 56.34 2ww0 s ARG 314 Cb -0.45 -2.07 -0.10 0.00 -0.57 0.00 0.00 34.95 31.75 2ww0 s ARG 314 CO 0.24 -0.61 1.52 0.15 -1.08 0.00 0.00 175.30 175.52 2ww0 s LYS 315 N -4.18 4.22 -0.15 3.89 1.02 -0.58 -1.63 119.74 122.33 2ww0 s LYS 315 Ca 0.61 2.37 0.16 0.00 0.02 0.00 0.00 55.97 59.13 2ww0 s LYS 315 Cb -0.13 -3.11 0.33 0.00 -0.52 0.00 0.00 37.83 34.40 2ww0 s LYS 315 CO 0.37 -0.53 1.17 0.34 -0.92 0.00 0.00 175.35 175.78 2ww0 n PHE 316 N 2.97 0.00 -4.42 3.18 7.35 0.12 -3.95 117.46 122.72 2ww0 n PHE 316 Ca 0.10 -1.15 -0.24 0.00 -0.76 0.00 0.00 57.45 55.40 2ww0 n PHE 316 Cb 0.39 -0.18 -0.09 0.00 0.35 0.00 0.00 39.48 39.94 2ww0 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww0 s TYR 317 N -2.89 2.40 0.08 -5.13 -0.85 -1.21 -4.42 117.35 105.34 2ww0 s TYR 317 Ca 0.33 -0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.62 2ww0 s TYR 317 Cb 0.31 -1.06 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 2ww0 s TYR 317 CO -0.01 0.68 -0.11 -1.21 -1.52 0.00 0.00 175.55 173.37 2ww0 s GLU 318 N -3.48 0.81 -0.03 -3.49 2.02 0.14 -4.93 118.70 109.74 2ww0 s GLU 318 Ca 0.30 -1.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 2ww0 s GLU 318 Cb -0.06 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 2ww0 s GLU 318 CO 0.16 0.12 0.58 -0.51 0.02 0.00 0.00 175.26 175.62 2ww0 s LEU 319 N -2.12 4.38 0.00 1.80 1.02 -1.26 -0.64 118.68 121.86 2ww0 s LEU 319 Ca 0.01 1.09 -0.00 0.00 0.02 0.00 0.00 54.13 55.25 2ww0 s LEU 319 Cb -0.06 -2.88 0.00 0.00 0.02 0.00 0.00 46.19 43.27 2ww0 s LEU 319 CO 0.01 0.07 0.00 -0.90 0.02 0.00 0.00 176.35 175.55 2ww0 n ASP 320 N 3.00 0.00 -0.02 2.29 5.68 0.08 -4.87 116.55 122.71 2ww0 n ASP 320 Ca -0.06 -1.00 0.09 0.00 -0.50 0.00 0.00 54.79 53.32 2ww0 n ASP 320 Cb 0.51 -0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.99 2ww0 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww0 h ALA 321 N -0.71 1.94 -0.43 2.12 0.00 -1.98 -0.15 119.26 120.05 2ww0 h ALA 321 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ww0 h ALA 321 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ww0 h ALA 321 CO 0.00 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.31 2ww0 n ASN 322 N -4.47 3.84 -0.48 0.00 3.02 -1.26 -4.90 115.26 111.01 2ww0 n ASN 322 Ca 0.06 -2.46 -0.06 0.00 -0.03 0.00 0.00 54.58 52.09 2ww0 n ASN 322 Cb 0.26 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2ww0 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww0 n GLY 323 N 0.69 0.75 3.80 7.41 0.00 -0.07 -5.00 105.19 112.77 2ww0 n GLY 323 Ca 0.19 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2ww0 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 324 N -2.17 4.32 0.22 1.61 -1.52 -1.26 -4.69 119.66 116.16 2ww0 s GLN 324 Ca 0.00 0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 54.00 2ww0 s GLN 324 Cb 0.00 -3.13 -0.09 0.00 -0.22 0.00 0.00 33.01 29.57 2ww0 s GLN 324 CO 0.00 0.54 1.31 -1.25 -0.25 0.00 0.00 175.29 175.65 2ww0 s PRO 325 N -1.42 4.38 0.14 2.91 0.04 -1.26 -0.74 135.00 139.05 2ww0 s PRO 325 Ca 0.36 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.45 2ww0 s PRO 325 Cb -0.20 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2ww0 s PRO 325 CO 0.22 -0.25 0.10 0.96 0.04 0.00 0.00 177.00 178.07 2ww0 s ILE 326 N -0.05 0.09 -0.04 0.56 -4.36 0.19 -1.36 121.20 116.24 2ww0 s ILE 326 Ca 0.56 -1.81 -0.20 0.00 -0.26 0.00 0.00 60.65 58.94 2ww0 s ILE 326 Cb -0.37 -2.01 0.04 0.00 1.25 0.00 0.00 42.46 41.37 2ww0 s ILE 326 CO 0.40 -0.43 0.44 -1.38 0.24 0.00 0.00 174.94 174.21 2ww0 s HIS 327 N -4.03 -0.36 0.00 1.37 -3.43 0.85 0.26 115.29 109.95 2ww0 s HIS 327 Ca 0.23 0.63 -0.30 0.00 -0.80 0.00 0.00 55.06 54.82 2ww0 s HIS 327 Cb 0.07 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2ww0 s HIS 327 CO 0.01 -0.45 1.11 -0.47 -2.00 0.00 0.00 174.74 172.95 2ww0 s TYR 328 N -1.14 3.47 -0.38 0.38 5.04 -1.26 -0.42 117.35 123.04 2ww0 s TYR 328 Ca -0.12 1.44 -0.26 0.00 -2.44 0.00 0.00 57.07 55.69 2ww0 s TYR 328 Cb -0.03 -3.30 0.02 0.00 0.35 0.00 0.00 41.96 38.99 2ww0 s TYR 328 CO 0.06 -0.77 0.96 0.45 -1.34 0.00 0.00 175.55 174.92 2ww0 s SER 329 N 1.13 6.70 0.00 4.32 0.15 0.76 -4.87 113.70 121.89 2ww0 s SER 329 Ca 0.55 0.61 0.25 0.00 0.70 0.00 0.00 55.95 58.06 2ww0 s SER 329 Cb -0.25 -2.48 1.45 0.00 -1.71 0.00 0.00 66.02 63.03 2ww0 s SER 329 CO 0.26 -0.91 1.87 -0.81 1.20 0.00 0.00 173.24 174.85 2ww0 n PRO 330 N 6.90 0.68 -0.09 5.44 -0.05 -1.26 0.29 135.00 146.91 2ww0 n PRO 330 Ca 0.08 0.02 -0.17 0.00 -0.05 0.00 0.00 63.50 63.38 2ww0 n PRO 330 Cb 0.48 -1.50 -0.13 0.00 -0.05 0.00 0.00 33.50 32.30 2ww0 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2ww0 n TYR 331 N -1.08 0.35 -0.64 0.54 4.01 -1.26 -4.00 117.16 115.08 2ww0 n TYR 331 Ca 0.17 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 2ww0 n TYR 331 Cb 0.12 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.10 2ww0 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww0 n ASN 332 N -3.22 0.49 0.00 7.72 0.23 -1.20 -4.87 115.26 114.41 2ww0 n ASN 332 Ca -0.39 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 2ww0 n ASN 332 Cb 1.03 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.73 2ww0 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww0 n GLY 333 N -0.06 0.65 3.93 4.83 0.00 0.14 -5.00 105.19 109.69 2ww0 n GLY 333 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2ww0 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 334 N -0.29 2.70 -0.26 1.61 -0.21 -1.26 -4.71 119.66 117.25 2ww0 s GLN 334 Ca 0.00 -0.24 -0.10 0.00 0.02 0.00 0.00 55.36 55.05 2ww0 s GLN 334 Cb 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 2ww0 s GLN 334 CO 0.00 -0.78 0.15 0.08 -2.12 0.00 0.00 175.29 172.61 2ww0 s VAL 335 N -2.97 5.04 0.18 1.09 1.01 -1.26 -0.17 120.40 123.32 2ww0 s VAL 335 Ca 0.55 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.66 2ww0 s VAL 335 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2ww0 s VAL 335 CO 0.43 0.30 -0.10 -0.76 0.00 0.00 0.00 175.10 174.97 2ww0 s LEU 336 N 1.53 2.49 0.64 3.92 1.43 0.44 -4.92 118.68 124.20 2ww0 s LEU 336 Ca 0.07 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 2ww0 s LEU 336 Cb -0.15 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2ww0 s LEU 336 CO 0.07 -0.31 1.06 -2.16 0.23 0.00 0.00 176.35 175.25 2ww0 s PRO 337 N -3.73 3.08 0.00 1.29 0.04 -1.26 -0.10 135.00 134.31 2ww0 s PRO 337 Ca 0.21 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2ww0 s PRO 337 Cb 0.02 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2ww0 s PRO 337 CO 0.04 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2ww0 n GLY 338 N -1.30 0.77 3.76 0.56 0.00 -0.46 -4.77 105.19 103.74 2ww0 n GLY 338 Ca 0.08 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 2ww0 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww0 s TYR 339 N -2.13 2.47 -0.28 1.61 2.02 -1.26 -4.21 117.35 115.58 2ww0 s TYR 339 Ca 0.00 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.08 2ww0 s TYR 339 Cb 0.00 -3.14 0.08 0.00 -0.40 0.00 0.00 41.96 38.50 2ww0 s TYR 339 CO 0.00 -1.91 0.71 1.41 -1.57 0.00 0.00 175.55 174.20 2ww0 s MET 340 N -4.56 0.76 0.18 -0.62 -2.45 -1.26 -4.12 119.30 107.23 2ww0 s MET 340 Ca 0.64 1.11 0.04 0.00 -1.25 0.00 0.00 55.69 56.24 2ww0 s MET 340 Cb -0.19 0.26 -0.05 0.00 1.25 0.00 0.00 34.83 36.10 2ww0 s MET 340 CO 0.51 -0.13 -0.07 -0.06 1.05 0.00 0.00 175.02 176.33 2ww0 s PHE 341 N 1.07 1.40 0.31 4.11 0.40 -1.26 0.16 117.98 124.17 2ww0 s PHE 341 Ca -0.05 -0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 55.33 2ww0 s PHE 341 Cb -0.05 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.78 2ww0 s PHE 341 CO -0.11 0.05 0.68 -2.37 0.70 0.00 0.00 175.22 174.17 2ww0 n THR 342 N -0.29 0.00 -2.58 0.64 5.66 -0.65 -4.84 114.28 112.21 2ww0 n THR 342 Ca -0.08 -0.79 -0.07 0.00 -3.05 0.00 0.00 64.05 60.06 2ww0 n THR 342 Cb 0.62 0.80 0.04 0.00 -1.55 0.00 0.00 70.33 70.24 2ww0 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww0 n ASP 343 N -1.42 -2.13 -3.78 1.09 8.00 0.15 -1.48 116.55 116.99 2ww0 n ASP 343 Ca -0.07 -0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 2ww0 n ASP 343 Cb 0.49 -2.47 -0.09 0.00 -0.02 0.00 0.00 41.12 39.04 2ww0 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww0 s THR 344 N -3.15 0.07 -0.23 -3.53 -1.32 -1.12 -4.31 115.64 102.04 2ww0 s THR 344 Ca 0.01 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 59.96 2ww0 s THR 344 Cb -0.00 -0.64 0.04 0.00 -1.51 0.00 0.00 72.50 70.39 2ww0 s THR 344 CO 0.31 -0.30 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.47 2ww0 s GLY 345 N -1.44 1.56 0.43 6.08 0.00 -1.26 -2.64 107.32 110.05 2ww0 s GLY 345 Ca -0.13 -1.51 0.16 0.00 0.00 0.00 0.00 44.72 43.25 2ww0 s GLY 345 CO 0.03 0.48 1.94 0.74 0.00 0.00 0.00 173.10 176.29 2ww0 h PHE 346 N 7.89 0.00 -0.88 1.90 0.04 -1.56 -0.72 116.94 123.61 2ww0 h PHE 346 Ca -0.31 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.66 2ww0 h PHE 346 Cb 1.09 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.18 2ww0 h PHE 346 CO 0.57 0.24 0.59 2.35 -0.60 0.00 0.00 178.31 181.46 2ww0 h TRP 347 N 0.00 0.45 0.01 -0.55 7.01 -1.83 -0.72 115.95 120.31 2ww0 h TRP 347 Ca -0.00 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 2ww0 h TRP 347 Cb 0.46 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2ww0 h TRP 347 CO 0.00 0.12 -0.29 -0.44 -2.79 0.00 0.00 178.44 175.04 2ww0 h ASP 348 N 0.34 0.03 -0.02 2.65 3.45 -1.54 -3.43 116.42 117.90 2ww0 h ASP 348 Ca 0.45 -0.91 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2ww0 h ASP 348 Cb 1.22 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2ww0 h ASP 348 CO -0.15 1.12 -0.28 0.35 -1.57 0.00 0.00 179.24 178.71 2ww0 n THR 349 N -4.54 0.00 0.16 0.35 -2.24 -0.76 -3.80 114.28 103.45 2ww0 n THR 349 Ca -0.14 -0.36 0.02 0.00 -2.27 0.00 0.00 64.05 61.30 2ww0 n THR 349 Cb 0.54 1.35 0.33 0.00 -2.10 0.00 0.00 70.33 70.45 2ww0 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww0 h PHE 350 N 3.35 0.06 0.10 4.78 -0.00 -1.42 -1.95 116.94 121.86 2ww0 h PHE 350 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 57.95 2ww0 h PHE 350 Cb 0.85 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.79 2ww0 h PHE 350 CO 0.00 0.42 -0.05 0.00 -0.00 0.00 0.00 178.31 178.68 2ww0 h ARG 351 N 0.05 -0.13 0.00 6.09 3.08 -1.81 -3.42 114.38 118.24 2ww0 h ARG 351 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ww0 h ARG 351 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2ww0 h ARG 351 CO 0.05 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 2ww0 h LEU 353 N 0.00 0.26 -0.24 0.00 7.12 -1.79 -0.91 115.31 119.75 2ww0 h LEU 353 Ca 0.00 -0.28 -0.21 0.00 0.13 0.00 0.00 57.88 57.52 2ww0 h LEU 353 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 2ww0 h LEU 353 CO 0.00 0.47 -0.80 -0.26 -0.13 0.00 0.00 178.44 177.72 2ww0 h PHE 354 N 0.04 0.82 -0.93 1.25 0.04 -1.61 -2.72 116.94 113.83 2ww0 h PHE 354 Ca 0.05 -0.38 0.11 0.00 2.80 0.00 0.00 57.97 60.55 2ww0 h PHE 354 Cb 0.33 -0.12 -0.08 0.00 2.20 0.00 0.00 35.95 38.28 2ww0 h PHE 354 CO 0.02 1.18 0.56 -1.35 -0.60 0.00 0.00 178.31 178.13 2ww0 h PRO 355 N 0.39 0.87 -0.92 1.51 0.11 -1.79 -0.38 132.00 131.80 2ww0 h PRO 355 Ca -0.05 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.05 2ww0 h PRO 355 Cb 1.41 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2ww0 h PRO 355 CO 0.15 0.58 0.59 1.25 -0.21 0.00 0.00 178.00 180.36 2ww0 h LEU 356 N 0.90 0.95 -0.83 2.35 5.85 -0.90 -1.32 115.31 122.30 2ww0 h LEU 356 Ca 0.46 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.14 2ww0 h LEU 356 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2ww0 h LEU 356 CO -0.27 0.63 0.33 -0.07 -0.34 0.00 0.00 178.44 178.72 2ww0 h LEU 357 N 1.10 1.09 -1.41 2.25 3.38 -0.82 -1.22 115.31 119.68 2ww0 h LEU 357 Ca 0.38 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ww0 h LEU 357 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2ww0 h LEU 357 CO -0.15 0.96 -0.30 0.78 0.09 0.00 0.00 178.44 179.83 2ww0 h ASN 358 N 1.16 0.00 0.05 -0.43 -0.26 -0.46 0.71 115.58 116.35 2ww0 h ASN 358 Ca 0.27 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.94 2ww0 h ASN 358 Cb 0.20 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2ww0 h ASN 358 CO -0.02 0.30 -0.30 0.25 -1.06 0.00 0.00 177.43 176.59 2ww0 h LEU 359 N 0.00 0.18 0.00 1.61 5.85 -0.83 -3.39 115.31 118.72 2ww0 h LEU 359 Ca -0.00 -0.97 0.00 0.00 0.84 0.00 0.00 57.88 57.75 2ww0 h LEU 359 Cb 0.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ww0 h LEU 359 CO 0.04 1.13 -0.91 0.23 -0.34 0.00 0.00 178.44 178.59 2ww0 n MET 360 N -4.44 1.98 -2.73 1.25 2.81 -0.50 -4.77 117.12 110.72 2ww0 n MET 360 Ca -0.11 -0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.60 2ww0 n MET 360 Cb 0.60 -1.01 0.01 0.00 -0.71 0.00 0.00 33.22 32.11 2ww0 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww0 n TYR 361 N -1.50 1.44 0.04 2.03 4.01 0.23 -4.57 117.16 118.84 2ww0 n TYR 361 Ca -0.00 -3.05 0.01 0.00 -0.16 0.00 0.00 57.90 54.70 2ww0 n TYR 361 Cb 0.14 -0.35 0.33 0.00 -0.31 0.00 0.00 39.34 39.16 2ww0 n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ww0 h PRO 362 N 2.94 0.42 -0.82 -0.72 0.13 -1.32 -1.55 132.00 131.08 2ww0 h PRO 362 Ca -0.00 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 65.14 2ww0 h PRO 362 Cb 1.08 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.08 2ww0 h PRO 362 CO 0.56 0.48 0.47 0.66 -0.23 0.00 0.00 178.00 179.95 2ww0 h SER 363 N 0.40 0.66 -0.37 1.44 4.64 -1.92 0.71 113.55 119.12 2ww0 h SER 363 Ca 0.09 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 2ww0 h SER 363 Cb 0.34 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2ww0 h SER 363 CO 0.01 0.37 -0.34 0.58 -0.87 0.00 0.00 176.83 176.59 2ww0 h VAL 364 N 0.78 1.28 0.00 0.95 2.07 -1.65 -3.10 116.25 116.58 2ww0 h VAL 364 Ca 0.40 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 2ww0 h VAL 364 Cb 0.38 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2ww0 h VAL 364 CO -0.25 0.50 -0.35 -1.13 0.02 0.00 0.00 177.57 176.36 2ww0 h ASN 365 N 0.68 0.00 -0.37 0.57 -1.24 -0.89 -2.28 115.58 112.05 2ww0 h ASN 365 Ca 0.06 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.13 2ww0 h ASN 365 Cb 0.92 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.92 2ww0 h ASN 365 CO 0.09 0.35 0.06 0.50 -1.29 0.00 0.00 177.43 177.14 2ww0 h LYS 366 N 0.00 0.18 -0.61 6.67 1.63 -0.81 0.52 116.57 124.15 2ww0 h LYS 366 Ca -0.00 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2ww0 h LYS 366 Cb 0.69 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 2ww0 h LYS 366 CO 0.05 0.12 0.37 0.93 -3.45 0.00 0.00 179.45 177.46 2ww0 h GLU 367 N 0.18 0.69 -0.66 1.90 5.08 -1.47 -1.22 114.58 119.08 2ww0 h GLU 367 Ca 0.18 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2ww0 h GLU 367 Cb 0.21 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2ww0 h GLU 367 CO -0.24 0.46 0.14 0.52 -1.00 0.00 0.00 179.01 178.88 2ww0 h MET 368 N 0.71 1.08 -0.30 2.33 2.86 -0.65 -1.08 114.93 119.88 2ww0 h MET 368 Ca 0.25 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2ww0 h MET 368 Cb 0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2ww0 h MET 368 CO -0.12 0.97 -0.00 1.96 1.06 0.00 0.00 176.91 180.79 2ww0 h GLN 369 N 1.00 0.53 -0.98 1.72 1.08 0.24 -1.01 115.11 117.69 2ww0 h GLN 369 Ca 0.20 -0.17 0.12 0.00 -1.45 0.00 0.00 58.65 57.35 2ww0 h GLN 369 Cb 0.40 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.70 2ww0 h GLN 369 CO 0.01 0.68 0.62 0.93 -0.95 0.00 0.00 178.83 180.11 2ww0 h GLU 370 N 0.33 0.92 -0.92 1.46 4.39 -0.99 0.56 114.58 120.34 2ww0 h GLU 370 Ca 0.09 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2ww0 h GLU 370 Cb 0.44 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 2ww0 h GLU 370 CO 0.02 0.61 0.55 0.78 -1.16 0.00 0.00 179.01 179.81 2ww0 h GLY 371 N 0.95 1.33 1.00 -3.84 0.00 -0.56 -2.38 103.07 99.57 2ww0 h GLY 371 Ca 0.48 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2ww0 h GLY 371 CO -0.25 0.54 0.40 1.41 0.00 0.00 0.00 176.54 178.64 2ww0 h LEU 372 N 1.26 0.79 -0.76 3.11 3.38 0.40 0.65 115.31 124.15 2ww0 h LEU 372 Ca 0.33 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.32 2ww0 h LEU 372 Cb -0.05 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2ww0 h LEU 372 CO -0.06 0.62 0.43 0.40 0.09 0.00 0.00 178.44 179.92 2ww0 h ILE 373 N 0.90 0.93 -0.69 1.22 1.08 -1.02 0.63 117.51 120.57 2ww0 h ILE 373 Ca 0.24 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 2ww0 h ILE 373 Cb -0.03 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.81 2ww0 h ILE 373 CO -0.04 0.14 0.23 0.78 -0.69 0.00 0.00 178.15 178.56 2ww0 h ASN 374 N 0.75 0.98 -0.54 1.72 -0.26 -0.84 -0.45 115.58 116.93 2ww0 h ASN 374 Ca 0.35 -0.17 0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2ww0 h ASN 374 Cb 0.28 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 2ww0 h ASN 374 CO -0.22 0.91 0.32 0.74 -1.06 0.00 0.00 177.43 178.12 2ww0 h THR 375 N 1.02 1.05 -0.22 2.81 2.02 0.95 0.13 112.91 120.66 2ww0 h THR 375 Ca 0.23 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww0 h THR 375 Cb 0.27 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2ww0 h THR 375 CO -0.01 0.12 0.12 0.22 0.37 0.00 0.00 175.52 176.33 2ww0 h TYR 376 N 0.64 0.30 -0.94 3.16 3.20 -0.39 -0.45 116.97 122.49 2ww0 h TYR 376 Ca 0.22 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 2ww0 h TYR 376 Cb 0.03 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2ww0 h TYR 376 CO -0.07 0.27 0.62 -0.07 -1.64 0.00 0.00 178.16 177.27 2ww0 h LEU 377 N 0.24 1.02 0.00 2.82 3.38 -0.46 0.23 115.31 122.53 2ww0 h LEU 377 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ww0 h LEU 377 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ww0 h LEU 377 CO -0.01 0.70 -0.61 -0.33 0.09 0.00 0.00 178.44 178.28 2ww0 h GLU 378 N 1.18 0.00 0.00 1.13 5.08 -0.55 -3.40 114.58 118.03 2ww0 h GLU 378 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2ww0 h GLU 378 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ww0 h GLU 378 CO -0.11 0.03 -1.09 -1.13 -1.00 0.00 0.00 179.01 175.71 2ww0 n SER 379 N -2.88 4.67 0.00 1.42 3.41 -0.20 -4.40 113.62 115.65 2ww0 n SER 379 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2ww0 n SER 379 Cb 0.56 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2ww0 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww0 n GLY 380 N 2.90 3.02 3.25 5.00 0.00 0.77 -5.04 105.19 115.10 2ww0 n GLY 380 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2ww0 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 381 N -2.72 1.35 0.45 1.61 0.40 -1.26 -4.98 117.98 112.83 2ww0 s PHE 381 Ca 0.00 -0.66 -0.20 0.00 -0.60 0.00 0.00 56.93 55.47 2ww0 s PHE 381 Cb 0.00 -0.68 -0.10 0.00 0.51 0.00 0.00 43.02 42.74 2ww0 s PHE 381 CO 0.00 0.13 0.97 -0.06 0.70 0.00 0.00 175.22 176.96 2ww0 s PHE 382 N -2.79 3.28 0.45 0.36 0.08 -1.26 -3.51 117.98 114.58 2ww0 s PHE 382 Ca 0.14 1.59 -0.20 0.00 0.12 0.00 0.00 56.93 58.57 2ww0 s PHE 382 Cb -0.01 -2.88 -0.10 0.00 -0.57 0.00 0.00 43.02 39.46 2ww0 s PHE 382 CO 0.02 -0.26 0.96 -1.25 -0.10 0.00 0.00 175.22 174.59 2ww0 s PRO 383 N -3.30 4.16 -0.06 0.24 0.04 -1.26 -4.56 135.00 130.27 2ww0 s PRO 383 Ca 0.62 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 2ww0 s PRO 383 Cb -0.10 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2ww0 s PRO 383 CO 0.16 -0.09 -0.18 0.39 0.04 0.00 0.00 177.00 177.33 2ww0 n GLU 384 N -0.85 0.27 -4.50 4.56 -0.58 -1.26 -4.57 120.64 113.72 2ww0 n GLU 384 Ca 0.07 0.11 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 2ww0 n GLU 384 Cb 0.54 -0.95 -0.14 0.00 -0.57 0.00 0.00 31.44 30.32 2ww0 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww0 s TRP 385 N -2.34 2.89 -0.08 -0.32 -0.00 -1.26 -1.35 118.94 116.48 2ww0 s TRP 385 Ca -0.15 -0.64 0.01 0.00 -0.00 0.00 0.00 56.10 55.32 2ww0 s TRP 385 Cb 0.02 -1.93 0.02 0.00 -0.00 0.00 0.00 33.47 31.58 2ww0 s TRP 385 CO 0.22 -0.25 -0.09 0.00 -0.00 0.00 0.00 176.95 176.83 2ww0 s ALA 386 N 0.60 1.14 -0.28 5.86 0.00 -1.08 -1.46 121.76 126.54 2ww0 s ALA 386 Ca -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2ww0 s ALA 386 Cb -0.15 -0.66 0.16 0.00 0.00 0.00 0.00 23.12 22.48 2ww0 s ALA 386 CO 0.03 -0.11 0.54 0.45 0.00 0.00 0.00 175.76 176.67 2ww0 s SER 387 N 1.11 -0.90 0.19 0.00 0.15 -1.26 -0.67 113.70 112.32 2ww0 s SER 387 Ca -0.07 0.81 0.02 0.00 0.70 0.00 0.00 55.95 57.42 2ww0 s SER 387 Cb -0.14 1.88 0.49 0.00 -1.71 0.00 0.00 66.02 66.54 2ww0 s SER 387 CO -0.01 -0.26 0.95 -0.81 1.20 0.00 0.00 173.24 174.31 2ww0 n PRO 388 N 5.41 -0.05 -0.40 5.44 -0.04 -1.26 -4.49 135.00 139.61 2ww0 n PRO 388 Ca -0.03 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2ww0 n PRO 388 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2ww0 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 389 N -1.30 0.87 3.72 0.55 0.00 0.98 -4.66 105.19 105.36 2ww0 n GLY 389 Ca 0.15 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2ww0 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww0 s HIS 390 N 0.65 3.03 0.11 1.61 3.76 -1.26 -4.20 115.29 118.99 2ww0 s HIS 390 Ca 0.00 0.62 0.07 0.00 -0.15 0.00 0.00 55.06 55.60 2ww0 s HIS 390 Cb 0.00 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.70 2ww0 s HIS 390 CO 0.00 -3.49 -0.16 1.03 -0.85 0.00 0.00 174.74 171.27 2ww0 s ARG 391 N 0.99 1.03 -0.53 1.40 1.81 -0.53 -4.34 118.95 118.78 2ww0 s ARG 391 Ca 0.70 -1.18 -0.17 0.00 -1.72 0.00 0.00 55.73 53.35 2ww0 s ARG 391 Cb -0.44 -1.05 0.09 0.00 -0.45 0.00 0.00 34.95 33.10 2ww0 s ARG 391 CO 0.33 0.22 0.56 0.20 -0.68 0.00 0.00 175.30 175.93 2ww0 s GLY 392 N -2.21 1.92 -0.25 -3.53 0.00 -1.26 -4.36 107.32 97.64 2ww0 s GLY 392 Ca 0.07 -2.18 -0.18 0.00 0.00 0.00 0.00 44.72 42.43 2ww0 s GLY 392 CO 0.04 1.33 0.63 0.00 0.00 0.00 0.00 173.10 175.10 2ww0 n MET 394 N 3.65 0.00 -4.21 0.00 2.81 -1.26 -4.64 117.12 113.47 2ww0 n MET 394 Ca -0.18 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.56 2ww0 n MET 394 Cb 0.57 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.00 2ww0 n MET 394 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ww0 s VAL 395 N 0.00 0.00 0.00 2.03 -7.23 -1.26 -4.69 120.40 109.25 2ww0 s VAL 395 Ca 0.00 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2ww0 s VAL 395 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2ww0 s VAL 395 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ww0 n GLY 396 N -0.47 1.11 2.40 2.32 0.00 -1.26 -4.68 105.19 104.61 2ww0 n GLY 396 Ca 0.04 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2ww0 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww0 n ASN 397 N -0.35 4.88 0.00 1.61 5.15 -1.26 -4.83 115.26 120.46 2ww0 n ASN 397 Ca 0.00 -3.73 0.14 0.00 -0.60 0.00 0.00 54.58 50.39 2ww0 n ASN 397 Cb 0.00 -0.46 0.71 0.00 -0.53 0.00 0.00 39.78 39.50 2ww0 n ASN 397 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ww0 n ASN 398 N -0.53 0.00 -0.10 1.20 4.13 -1.26 -1.78 115.26 116.92 2ww0 n ASN 398 Ca 0.41 -0.09 0.26 0.00 1.68 0.00 0.00 54.58 56.84 2ww0 n ASN 398 Cb 0.71 -0.30 0.72 0.00 -1.54 0.00 0.00 39.78 39.37 2ww0 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww0 h SER 399 N 0.00 0.00 -0.67 6.41 4.64 -1.89 0.14 113.55 122.18 2ww0 h SER 399 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2ww0 h SER 399 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2ww0 h SER 399 CO 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 176.24 2ww0 h ALA 400 N 1.52 1.19 -0.16 5.18 0.00 -1.72 -0.16 119.26 125.12 2ww0 h ALA 400 Ca 0.36 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2ww0 h ALA 400 Cb 1.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2ww0 h ALA 400 CO -0.00 0.59 -0.38 1.03 0.00 0.00 0.00 179.25 180.49 2ww0 h SER 401 N 1.00 0.61 -0.18 0.00 0.87 -0.97 -1.47 113.55 113.41 2ww0 h SER 401 Ca 0.23 -0.57 0.04 0.00 -1.23 0.00 0.00 61.79 60.26 2ww0 h SER 401 Cb 0.19 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2ww0 h SER 401 CO -0.02 1.07 -0.06 0.40 -0.53 0.00 0.00 176.83 177.69 2ww0 h ILE 402 N 0.18 0.78 -0.14 2.23 1.08 -1.15 0.19 117.51 120.68 2ww0 h ILE 402 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2ww0 h ILE 402 Cb 0.99 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.52 2ww0 h ILE 402 CO 0.08 0.00 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.42 2ww0 h LEU 403 N -0.03 0.29 -0.30 1.44 3.38 -1.01 -2.67 115.31 116.42 2ww0 h LEU 403 Ca 0.09 -0.39 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 2ww0 h LEU 403 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ww0 h LEU 403 CO -0.20 0.61 -0.70 0.58 0.09 0.00 0.00 178.44 178.82 2ww0 h VAL 404 N -0.04 1.31 -0.56 1.22 2.07 -1.22 -2.52 116.25 116.52 2ww0 h VAL 404 Ca 0.03 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.62 2ww0 h VAL 404 Cb 0.49 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2ww0 h VAL 404 CO 0.02 0.61 0.33 -0.78 0.02 0.00 0.00 177.57 177.77 2ww0 h ASP 405 N 0.47 0.53 0.18 0.57 3.58 -0.65 -0.79 116.42 120.31 2ww0 h ASP 405 Ca -0.03 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2ww0 h ASP 405 Cb 1.30 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2ww0 h ASP 405 CO 0.14 0.37 -0.09 0.00 -2.88 0.00 0.00 179.24 176.78 2ww0 h ALA 406 N 1.25 -0.24 -0.26 -0.78 0.00 -1.40 -1.69 119.26 116.15 2ww0 h ALA 406 Ca 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2ww0 h ALA 406 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2ww0 h ALA 406 CO -0.10 -0.63 0.13 -0.92 0.00 0.00 0.00 179.25 177.72 2ww0 h TYR 407 N -0.24 0.23 0.00 0.00 5.03 -1.20 -0.67 116.97 120.13 2ww0 h TYR 407 Ca -0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2ww0 h TYR 407 Cb 0.18 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2ww0 h TYR 407 CO -0.07 0.13 0.00 0.52 -1.32 0.00 0.00 178.16 177.42 2ww0 h MET 408 N 0.27 0.00 -0.47 1.82 2.86 -1.06 -2.39 114.93 115.95 2ww0 h MET 408 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2ww0 h MET 408 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ww0 h MET 408 CO -0.07 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.53 2ww0 n LYS 409 N -2.56 3.79 -0.14 1.72 5.02 -0.46 -4.95 118.16 120.58 2ww0 n LYS 409 Ca 0.00 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 2ww0 n LYS 409 Cb 0.19 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2ww0 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 410 N 0.38 0.68 3.38 0.72 0.00 -0.90 -5.01 105.19 104.44 2ww0 n GLY 410 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww0 s VAL 411 N -2.39 5.04 -0.18 1.61 1.01 -0.38 -5.00 120.40 120.10 2ww0 s VAL 411 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 2ww0 s VAL 411 Cb 0.00 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2ww0 s VAL 411 CO 0.00 -1.18 -0.07 -0.54 0.00 0.00 0.00 175.10 173.32 2ww0 s LYS 412 N 1.92 3.43 0.72 2.72 1.02 -1.26 -3.00 119.74 125.30 2ww0 s LYS 412 Ca 0.18 -0.62 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 2ww0 s LYS 412 Cb -0.16 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2ww0 s LYS 412 CO -0.02 -0.01 1.09 0.14 -0.92 0.00 0.00 175.35 175.63 2ww0 s VAL 413 N 0.98 3.41 0.12 3.17 -7.23 -1.26 -4.97 120.40 114.62 2ww0 s VAL 413 Ca -0.00 0.52 -0.14 0.00 -1.81 0.00 0.00 61.98 60.55 2ww0 s VAL 413 Cb -0.15 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 2ww0 s VAL 413 CO 0.00 -0.54 1.51 0.44 -0.31 0.00 0.00 175.10 176.20 2ww0 h ASP 414 N -0.69 0.77 -2.03 4.85 3.32 -1.99 -3.37 116.42 117.28 2ww0 h ASP 414 Ca -0.45 -0.38 -0.73 0.00 0.02 0.00 0.00 57.03 55.49 2ww0 h ASP 414 Cb 1.23 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 2ww0 h ASP 414 CO 0.53 0.97 1.44 -0.62 -1.72 0.00 0.00 179.24 179.85 2ww0 s ASP 415 N -6.41 7.04 0.38 6.45 -1.08 -1.26 -4.80 116.67 117.00 2ww0 s ASP 415 Ca -0.12 -2.93 0.12 0.00 -0.52 0.00 0.00 52.55 49.10 2ww0 s ASP 415 Cb 0.10 -2.42 0.77 0.00 -1.46 0.00 0.00 42.92 39.91 2ww0 s ASP 415 CO 0.82 -0.79 1.86 0.40 0.52 0.00 0.00 175.17 177.97 2ww0 h ILE 416 N 4.77 1.23 -0.31 4.11 2.04 -2.00 -2.62 117.51 124.73 2ww0 h ILE 416 Ca 0.33 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2ww0 h ILE 416 Cb 0.87 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2ww0 h ILE 416 CO 1.27 0.32 0.15 0.50 0.00 0.00 0.00 178.15 180.39 2ww0 h LYS 417 N 0.03 0.31 -0.60 2.37 3.64 -1.97 -1.65 116.57 118.72 2ww0 h LYS 417 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2ww0 h LYS 417 Cb 0.57 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2ww0 h LYS 417 CO 0.04 0.21 0.00 1.15 -2.27 0.00 0.00 179.45 178.58 2ww0 h THR 418 N 0.32 1.26 -0.13 1.00 2.02 -1.95 -1.70 112.91 113.74 2ww0 h THR 418 Ca 0.13 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.20 2ww0 h THR 418 Cb 0.04 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2ww0 h THR 418 CO -0.08 0.41 -0.06 0.25 0.37 0.00 0.00 175.52 176.41 2ww0 h LEU 419 N 0.95 -0.20 -0.49 2.58 5.85 -1.07 0.31 115.31 123.25 2ww0 h LEU 419 Ca 0.17 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2ww0 h LEU 419 Cb 0.55 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2ww0 h LEU 419 CO 0.03 -0.08 -0.02 0.22 -0.34 0.00 0.00 178.44 178.25 2ww0 h TYR 420 N -0.05 0.96 -0.66 1.25 3.20 -1.18 -1.45 116.97 119.04 2ww0 h TYR 420 Ca 0.07 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2ww0 h TYR 420 Cb 0.15 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2ww0 h TYR 420 CO -0.19 0.91 0.29 0.93 -1.64 0.00 0.00 178.16 178.46 2ww0 h GLU 421 N 0.73 0.98 -0.43 1.82 5.08 -1.10 -1.41 114.58 120.25 2ww0 h GLU 421 Ca 0.14 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2ww0 h GLU 421 Cb 0.54 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2ww0 h GLU 421 CO 0.03 0.80 0.21 0.78 -1.00 0.00 0.00 179.01 179.83 2ww0 h GLY 422 N 0.93 0.59 0.92 -3.84 0.00 -0.15 0.22 103.07 101.74 2ww0 h GLY 422 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.42 2ww0 h GLY 422 CO -0.02 0.10 0.23 1.41 0.00 0.00 0.00 176.54 178.26 2ww0 h LEU 423 N 0.43 0.38 -0.59 3.11 3.38 -0.72 -2.22 115.31 119.08 2ww0 h LEU 423 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2ww0 h LEU 423 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ww0 h LEU 423 CO -0.13 0.27 -0.30 0.40 0.09 0.00 0.00 178.44 178.77 2ww0 h ILE 424 N 0.47 1.28 -0.90 1.22 1.08 -0.99 -2.74 117.51 116.93 2ww0 h ILE 424 Ca 0.15 -1.45 0.05 0.00 -0.39 0.00 0.00 64.86 63.22 2ww0 h ILE 424 Cb 0.00 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 2ww0 h ILE 424 CO -0.07 0.48 0.59 -0.74 -0.69 0.00 0.00 178.15 177.72 2ww0 h HIS 425 N 0.68 1.07 0.00 1.37 2.76 -0.52 -2.10 115.15 118.41 2ww0 h HIS 425 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2ww0 h HIS 425 Cb 0.84 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2ww0 h HIS 425 CO 0.05 0.60 0.00 0.41 -1.30 0.00 0.00 177.93 177.69 2ww0 n GLY 426 N -1.40 -1.35 0.09 5.26 0.00 -0.87 -2.49 105.19 104.43 2ww0 n GLY 426 Ca 0.12 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2ww0 n GLY 426 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ww0 h THR 427 N 0.00 0.00 0.00 2.61 1.35 -1.36 -3.05 112.91 112.47 2ww0 h THR 427 Ca 0.00 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 2ww0 h THR 427 Cb 0.45 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 68.06 2ww0 h THR 427 CO 0.00 0.00 -0.46 -1.84 -0.25 0.00 0.00 175.52 172.97 2ww0 n GLU 428 N -2.24 0.67 -3.91 4.72 0.28 -1.04 -4.85 120.64 114.27 2ww0 n GLU 428 Ca 0.04 -2.08 -0.10 0.00 -0.16 0.00 0.00 57.16 54.86 2ww0 n GLU 428 Cb 0.45 -0.90 -0.09 0.00 1.43 0.00 0.00 31.44 32.32 2ww0 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2ww0 s ASN 429 N -2.16 0.13 -0.01 -1.84 0.01 -1.04 -5.03 114.94 105.00 2ww0 s ASN 429 Ca 0.23 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 2ww0 s ASN 429 Cb 0.23 0.22 -0.01 0.00 0.41 0.00 0.00 41.25 42.10 2ww0 s ASN 429 CO -0.04 -0.47 -0.12 0.54 -1.51 0.00 0.00 177.10 175.51 2ww0 s VAL 430 N -2.25 0.92 0.25 1.60 0.11 -1.26 -0.82 120.40 118.95 2ww0 s VAL 430 Ca -0.08 -0.50 -0.31 0.00 -2.93 0.00 0.00 61.98 58.17 2ww0 s VAL 430 Cb -0.03 -0.77 -0.13 0.00 -1.53 0.00 0.00 36.38 33.92 2ww0 s VAL 430 CO -0.03 0.26 1.51 1.57 -3.33 0.00 0.00 175.10 175.09 2ww0 n HIS 431 N 2.82 2.48 0.15 1.54 -0.00 0.58 -4.88 115.22 117.91 2ww0 n HIS 431 Ca -0.14 0.32 0.10 0.00 0.46 0.00 0.00 57.72 58.46 2ww0 n HIS 431 Cb 0.56 -2.53 0.60 0.00 -0.12 0.00 0.00 29.99 28.49 2ww0 n HIS 431 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2ww0 h PRO 432 N 4.74 0.13 0.00 1.57 0.11 -2.00 -3.28 132.00 133.27 2ww0 h PRO 432 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2ww0 h PRO 432 Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2ww0 h PRO 432 CO 0.79 0.08 -1.43 -1.91 -0.21 0.00 0.00 178.00 175.33 2ww0 n GLU 433 N -4.50 1.70 -3.48 1.05 4.07 -1.26 -4.91 120.64 113.31 2ww0 n GLU 433 Ca 0.01 0.02 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 2ww0 n GLU 433 Cb 0.19 -1.15 -0.07 0.00 -0.06 0.00 0.00 31.44 30.35 2ww0 n GLU 433 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ww0 s VAL 434 N -2.15 4.59 -1.05 6.31 1.01 -1.24 -4.94 120.40 122.94 2ww0 s VAL 434 Ca -0.06 -1.96 0.14 0.00 0.00 0.00 0.00 61.98 60.10 2ww0 s VAL 434 Cb 0.02 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.57 2ww0 s VAL 434 CO 0.22 -0.85 1.45 -1.54 0.00 0.00 0.00 175.10 174.38 2ww0 n SER 435 N 4.68 0.00 -0.81 3.32 3.41 -1.26 -1.22 113.62 121.74 2ww0 n SER 435 Ca -0.04 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2ww0 n SER 435 Cb 0.41 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.16 2ww0 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww0 n SER 436 N -1.47 2.40 -4.37 4.04 3.41 -1.26 -4.19 113.62 112.18 2ww0 n SER 436 Ca 0.04 -1.89 -0.35 0.00 -0.26 0.00 0.00 58.87 56.41 2ww0 n SER 436 Cb 0.16 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 2ww0 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww0 s THR 437 N -1.55 3.66 0.00 6.66 2.01 -0.36 -4.56 115.64 121.49 2ww0 s THR 437 Ca 0.33 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2ww0 s THR 437 Cb 0.18 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 70.02 2ww0 s THR 437 CO 0.25 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 2ww0 n GLY 438 N 4.65 -1.88 3.18 4.40 0.00 -1.26 -0.31 105.19 113.97 2ww0 n GLY 438 Ca -0.18 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2ww0 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 s ARG 439 N 0.00 2.30 0.32 1.61 0.52 0.00 -4.75 118.95 118.95 2ww0 s ARG 439 Ca 0.00 -1.73 -0.29 0.00 -0.52 0.00 0.00 55.73 53.18 2ww0 s ARG 439 Cb 0.00 -3.75 -0.11 0.00 0.52 0.00 0.00 34.95 31.61 2ww0 s ARG 439 CO 0.00 -1.10 1.54 -1.17 0.02 0.00 0.00 175.30 174.59 2ww0 s LEU 440 N 1.28 4.34 -0.09 2.53 2.96 -1.26 -2.54 118.68 125.90 2ww0 s LEU 440 Ca 0.06 2.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.92 2ww0 s LEU 440 Cb -0.24 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.80 2ww0 s LEU 440 CO -0.02 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 2ww0 n GLY 441 N 1.56 0.47 0.31 7.98 0.00 -1.26 -4.93 105.19 109.33 2ww0 n GLY 441 Ca 0.05 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2ww0 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww0 h TYR 442 N 0.00 0.07 0.74 1.61 -0.00 -1.82 -1.32 116.97 116.25 2ww0 h TYR 442 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.68 2ww0 h TYR 442 Cb 0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2ww0 h TYR 442 CO 0.10 0.04 -0.41 0.93 -0.00 0.00 0.00 178.16 178.82 2ww0 h GLU 443 N 0.08 -1.04 -0.17 0.10 3.07 -1.91 0.20 114.58 114.91 2ww0 h GLU 443 Ca 0.11 0.07 0.03 0.00 -0.50 0.00 0.00 59.36 59.07 2ww0 h GLU 443 Cb 0.34 0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 2ww0 h GLU 443 CO -0.01 -0.69 -0.00 1.88 -1.40 0.00 0.00 179.01 178.79 2ww0 h TYR 444 N -1.08 -0.01 -0.16 4.33 0.05 -1.77 -1.47 116.97 116.85 2ww0 h TYR 444 Ca -0.10 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.72 2ww0 h TYR 444 Cb 0.85 0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 2ww0 h TYR 444 CO -0.07 -0.03 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.07 2ww0 h TYR 445 N 0.05 -0.05 -0.48 4.88 3.20 -1.01 0.67 116.97 124.23 2ww0 h TYR 445 Ca 0.08 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2ww0 h TYR 445 Cb 0.10 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2ww0 h TYR 445 CO -0.16 -0.05 0.07 -0.91 -1.64 0.00 0.00 178.16 175.47 2ww0 h ASN 446 N 0.02 0.70 0.11 -2.11 -0.26 -0.48 0.10 115.58 113.66 2ww0 h ASN 446 Ca 0.08 -0.13 -0.21 0.00 -0.56 0.00 0.00 56.30 55.47 2ww0 h ASN 446 Cb 0.11 -0.18 0.02 0.00 -1.06 0.00 0.00 38.32 37.21 2ww0 h ASN 446 CO -0.15 0.72 -0.91 0.50 -1.06 0.00 0.00 177.43 176.53 2ww0 h LYS 447 N 0.71 0.42 0.00 0.81 3.64 -0.51 -3.40 116.57 118.24 2ww0 h LYS 447 Ca 0.15 -0.60 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 2ww0 h LYS 447 Cb 0.33 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2ww0 h LYS 447 CO 0.01 1.25 -1.97 1.28 -2.27 0.00 0.00 179.45 177.75 2ww0 n LEU 448 N -4.05 0.00 0.00 5.20 4.77 0.23 -4.99 117.00 118.16 2ww0 n LEU 448 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2ww0 n LEU 448 Cb 0.84 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2ww0 n LEU 448 CO 0.51 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2ww0 n GLY 449 N 1.56 0.66 3.65 -0.72 0.00 0.36 -5.04 105.19 105.65 2ww0 n GLY 449 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2ww0 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 450 N -2.49 -0.33 -0.37 1.61 1.13 -1.24 -4.76 117.35 110.90 2ww0 s TYR 450 Ca 0.00 0.01 -0.17 0.00 -1.41 0.00 0.00 57.07 55.50 2ww0 s TYR 450 Cb 0.00 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 2ww0 s TYR 450 CO 0.00 -0.99 0.45 0.08 -2.51 0.00 0.00 175.55 172.58 2ww0 s VAL 451 N -3.72 5.07 0.50 -3.49 1.01 -1.26 -3.39 120.40 115.12 2ww0 s VAL 451 Ca 0.07 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2ww0 s VAL 451 Cb -0.03 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2ww0 s VAL 451 CO -0.03 -0.25 0.83 -2.65 0.00 0.00 0.00 175.10 173.00 2ww0 n PRO 452 N 5.62 0.95 0.12 2.72 -0.02 -1.26 -4.49 135.00 138.64 2ww0 n PRO 452 Ca -0.07 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2ww0 n PRO 452 Cb 0.49 -1.93 0.43 0.00 -0.02 0.00 0.00 33.50 32.47 2ww0 n PRO 452 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2ww0 h TYR 453 N 0.90 0.00 -0.04 6.00 5.03 0.39 -3.36 116.97 125.89 2ww0 h TYR 453 Ca -0.45 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 60.82 2ww0 h TYR 453 Cb 1.37 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.59 2ww0 h TYR 453 CO 0.38 0.00 -0.56 -0.40 -1.32 0.00 0.00 178.16 176.26 2ww0 n ASP 454 N -2.32 1.80 -0.60 -2.11 5.75 -1.26 -4.71 116.55 113.10 2ww0 n ASP 454 Ca 0.04 -3.73 0.06 0.00 -0.01 0.00 0.00 54.79 51.16 2ww0 n ASP 454 Cb 0.36 -0.50 0.20 0.00 -1.03 0.00 0.00 41.12 40.16 2ww0 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww0 n VAL 455 N -0.96 2.15 -1.70 2.12 0.24 -1.26 -4.90 118.33 114.03 2ww0 n VAL 455 Ca 0.19 -3.17 -0.13 0.00 -2.04 0.00 0.00 64.34 59.19 2ww0 n VAL 455 Cb 0.74 -0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.86 2ww0 n VAL 455 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2ww0 n LYS 456 N -1.10 -0.92 -4.08 7.34 0.00 -1.26 -4.99 118.16 113.14 2ww0 n LYS 456 Ca 0.19 0.82 -0.32 0.00 -0.00 0.00 0.00 58.31 58.99 2ww0 n LYS 456 Cb 0.70 -4.91 -0.15 0.00 -0.00 0.00 0.00 35.03 30.66 2ww0 n LYS 456 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2ww0 s ILE 457 N -2.53 2.09 0.42 0.58 1.01 -1.26 -5.11 121.20 116.40 2ww0 s ILE 457 Ca 0.00 -1.35 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 2ww0 s ILE 457 Cb 0.00 -2.09 -0.11 0.00 0.01 0.00 0.00 42.46 40.27 2ww0 s ILE 457 CO 0.00 0.18 0.96 0.20 0.00 0.00 0.00 174.94 176.28 2ww0 s ASN 458 N 1.19 6.95 -1.35 3.58 0.01 -1.26 -3.61 114.94 120.45 2ww0 s ASN 458 Ca -0.04 1.73 -0.01 0.00 -0.71 0.00 0.00 52.86 53.83 2ww0 s ASN 458 Cb -0.17 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2ww0 s ASN 458 CO -0.08 -0.35 0.09 -0.62 -1.51 0.00 0.00 177.10 174.63 2ww0 n GLU 459 N -0.51 -1.76 -0.36 -0.60 1.02 0.46 -4.88 120.64 114.00 2ww0 n GLU 459 Ca 0.07 0.77 0.06 0.00 -0.02 0.00 0.00 57.16 58.03 2ww0 n GLU 459 Cb 0.53 -5.17 0.22 0.00 -0.02 0.00 0.00 31.44 27.01 2ww0 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww0 h ASN 460 N -0.21 0.94 -0.36 1.62 -1.07 -1.59 -0.82 115.58 114.10 2ww0 h ASN 460 Ca -0.39 0.04 -0.15 0.00 0.07 0.00 0.00 56.30 55.87 2ww0 h ASN 460 Cb 1.28 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 37.38 2ww0 h ASN 460 CO 0.45 0.52 -0.36 0.00 0.07 0.00 0.00 177.43 178.11 2ww0 h ALA 461 N 1.52 0.53 -0.69 4.14 0.00 -0.78 0.59 119.26 124.57 2ww0 h ALA 461 Ca 0.48 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ww0 h ALA 461 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2ww0 h ALA 461 CO -0.25 0.62 0.16 0.00 0.00 0.00 0.00 179.25 179.78 2ww0 h ALA 462 N 0.75 0.91 -0.11 0.00 0.00 -1.02 -1.99 119.26 117.81 2ww0 h ALA 462 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ww0 h ALA 462 Cb 0.95 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ww0 h ALA 462 CO 0.09 0.64 0.04 0.00 0.00 0.00 0.00 179.25 180.02 2ww0 h ARG 463 N 1.05 0.18 0.16 0.00 3.08 -0.81 -1.82 114.38 116.22 2ww0 h ARG 463 Ca 0.22 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2ww0 h ARG 463 Cb 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2ww0 h ARG 463 CO 0.00 0.31 -0.27 1.15 -1.07 0.00 0.00 179.97 180.09 2ww0 h THR 464 N 0.01 0.41 -0.33 2.04 2.02 -0.79 0.24 112.91 116.50 2ww0 h THR 464 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 2ww0 h THR 464 Cb 0.20 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 2ww0 h THR 464 CO -0.00 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.70 2ww0 h LEU 465 N -0.51 -0.42 -0.63 2.58 3.38 -1.30 -1.23 115.31 117.18 2ww0 h LEU 465 Ca 0.02 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2ww0 h LEU 465 Cb 0.52 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ww0 h LEU 465 CO -0.13 -0.15 -0.37 -0.33 0.09 0.00 0.00 178.44 177.54 2ww0 h GLU 466 N -0.05 0.66 -0.95 1.13 5.08 -1.03 -2.61 114.58 116.81 2ww0 h GLU 466 Ca 0.17 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2ww0 h GLU 466 Cb 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2ww0 h GLU 466 CO -0.37 0.93 0.61 1.88 -1.00 0.00 0.00 179.01 181.05 2ww0 h TYR 467 N 0.55 1.13 -0.07 4.33 0.05 -0.12 0.17 116.97 123.00 2ww0 h TYR 467 Ca 0.05 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.88 2ww0 h TYR 467 Cb 0.89 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2ww0 h TYR 467 CO 0.04 0.60 -0.07 0.00 -1.05 0.00 0.00 178.16 177.69 2ww0 h ALA 468 N 1.42 -0.01 -0.72 3.88 0.00 -0.87 0.39 119.26 123.35 2ww0 h ALA 468 Ca 0.40 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 2ww0 h ALA 468 Cb 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ww0 h ALA 468 CO -0.16 -0.54 0.26 -0.92 0.00 0.00 0.00 179.25 177.90 2ww0 h TYR 469 N -0.09 1.13 -0.24 0.00 3.20 -1.07 -1.66 116.97 118.24 2ww0 h TYR 469 Ca 0.05 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2ww0 h TYR 469 Cb 0.16 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2ww0 h TYR 469 CO -0.17 0.88 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.78 2ww0 h ASP 470 N 1.05 -0.10 -0.37 -2.11 3.32 0.09 -1.46 116.42 116.84 2ww0 h ASP 470 Ca 0.24 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.36 2ww0 h ASP 470 Cb 0.25 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2ww0 h ASP 470 CO -0.01 -0.02 0.25 0.44 -1.72 0.00 0.00 179.24 178.17 2ww0 h ASP 471 N 0.07 0.39 -0.69 6.45 3.32 0.17 -0.88 116.42 125.25 2ww0 h ASP 471 Ca 0.11 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ww0 h ASP 471 Cb 0.15 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2ww0 h ASP 471 CO -0.19 0.28 0.43 -0.25 -1.72 0.00 0.00 179.24 177.78 2ww0 h TRP 472 N 0.46 0.89 -0.56 4.55 7.01 -0.35 0.18 115.95 128.13 2ww0 h TRP 472 Ca 0.14 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.16 2ww0 h TRP 472 Cb 0.01 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.74 2ww0 h TRP 472 CO -0.00 0.59 0.35 0.00 -2.79 0.00 0.00 178.44 176.59 2ww0 h ILE 474 N 0.70 1.24 -0.69 0.00 2.04 -0.87 -1.66 117.51 118.28 2ww0 h ILE 474 Ca 0.22 -0.84 0.13 0.00 1.00 0.00 0.00 64.86 65.37 2ww0 h ILE 474 Cb -0.02 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 2ww0 h ILE 474 CO -0.08 0.28 0.19 0.22 0.00 0.00 0.00 178.15 178.76 2ww0 h TYR 475 N 0.34 0.32 -0.52 1.37 5.03 -0.19 0.18 116.97 123.50 2ww0 h TYR 475 Ca 0.09 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.45 2ww0 h TYR 475 Cb 0.37 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 2ww0 h TYR 475 CO 0.03 -0.02 0.34 0.00 -1.32 0.00 0.00 178.16 177.19 2ww0 h ARG 476 N 0.32 0.68 -0.23 1.82 2.47 -0.29 -0.33 114.38 118.83 2ww0 h ARG 476 Ca 0.37 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.93 2ww0 h ARG 476 Cb 0.58 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2ww0 h ARG 476 CO -0.43 0.45 -0.34 1.25 0.56 0.00 0.00 179.97 181.46 2ww0 h LEU 477 N 0.70 0.69 -0.83 3.04 5.85 -0.52 -2.42 115.31 121.82 2ww0 h LEU 477 Ca 0.19 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2ww0 h LEU 477 Cb -0.08 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2ww0 h LEU 477 CO -0.04 1.08 0.53 0.00 -0.34 0.00 0.00 178.44 179.66 2ww0 h ALA 478 N 0.64 1.10 -0.21 1.25 0.00 -0.39 0.13 119.26 121.78 2ww0 h ALA 478 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ww0 h ALA 478 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ww0 h ALA 478 CO 0.08 0.33 0.05 -0.22 0.00 0.00 0.00 179.25 179.49 2ww0 h LYS 479 N 1.01 0.33 -0.89 0.00 3.64 -1.02 -1.45 116.57 118.18 2ww0 h LYS 479 Ca 0.34 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 2ww0 h LYS 479 Cb 0.05 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 2ww0 h LYS 479 CO -0.13 0.45 0.51 1.49 -2.27 0.00 0.00 179.45 179.50 2ww0 h GLU 480 N 0.15 0.75 0.00 1.90 4.57 -0.83 -1.20 114.58 119.93 2ww0 h GLU 480 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ww0 h GLU 480 Cb 0.27 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2ww0 h GLU 480 CO 0.00 0.50 0.00 1.28 -1.18 0.00 0.00 179.01 179.61 2ww0 n LEU 481 N -4.76 0.00 -3.54 1.64 4.32 0.38 -4.88 117.00 110.15 2ww0 n LEU 481 Ca 0.17 0.31 -0.21 0.00 -0.02 0.00 0.00 56.01 56.26 2ww0 n LEU 481 Cb 0.39 -0.31 0.08 0.00 -1.62 0.00 0.00 43.42 41.96 2ww0 n LEU 481 CO 0.24 -0.05 0.17 0.29 -1.22 0.00 0.00 177.39 176.82 2ww0 n LYS 482 N -1.31 -7.15 -0.96 3.23 5.02 -0.45 -4.98 118.16 111.56 2ww0 n LYS 482 Ca 0.11 0.82 -0.29 0.00 -2.02 0.00 0.00 58.31 56.93 2ww0 n LYS 482 Cb 0.21 -5.83 0.18 0.00 -0.02 0.00 0.00 35.03 29.58 2ww0 n LYS 482 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ww0 s ARG 483 N -5.90 0.38 0.42 1.97 1.81 -0.61 -4.95 118.95 112.06 2ww0 s ARG 483 Ca 0.31 0.82 -0.26 0.00 -1.72 0.00 0.00 55.73 54.88 2ww0 s ARG 483 Cb -0.14 -1.71 -0.10 0.00 -0.45 0.00 0.00 34.95 32.56 2ww0 s ARG 483 CO 0.74 -2.84 1.27 -2.30 -0.68 0.00 0.00 175.30 171.49 2ww0 n PRO 484 N -4.30 1.94 -0.26 3.54 -0.02 -1.26 -4.76 135.00 129.89 2ww0 n PRO 484 Ca 0.06 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2ww0 n PRO 484 Cb 0.55 -2.38 0.38 0.00 -0.02 0.00 0.00 33.50 32.02 2ww0 n PRO 484 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ww0 h LYS 485 N 2.11 0.68 -0.66 -0.52 1.57 -1.99 -0.30 116.57 117.46 2ww0 h LYS 485 Ca -0.48 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2ww0 h LYS 485 Cb 1.29 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2ww0 h LYS 485 CO 0.60 0.45 0.43 -0.22 -0.57 0.00 0.00 179.45 180.14 2ww0 h LYS 486 N 0.70 0.84 0.28 3.15 3.64 -1.99 0.14 116.57 123.33 2ww0 h LYS 486 Ca 0.43 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2ww0 h LYS 486 Cb 0.67 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2ww0 h LYS 486 CO -0.19 0.56 -0.13 0.93 -2.27 0.00 0.00 179.45 178.34 2ww0 h GLU 487 N 0.87 -0.36 -0.75 1.90 5.08 -1.45 -2.33 114.58 117.54 2ww0 h GLU 487 Ca 0.25 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2ww0 h GLU 487 Cb -0.06 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2ww0 h GLU 487 CO -0.07 -0.14 0.43 0.82 -1.00 0.00 0.00 179.01 179.05 2ww0 h ILE 488 N -0.51 0.96 -0.15 3.13 2.04 -1.01 -1.90 117.51 120.06 2ww0 h ILE 488 Ca -0.04 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 2ww0 h ILE 488 Cb 0.38 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2ww0 h ILE 488 CO 0.06 0.14 -0.31 0.28 0.00 0.00 0.00 178.15 178.32 2ww0 h SER 489 N 0.77 0.30 -0.37 1.72 0.02 -0.72 -1.43 113.55 113.84 2ww0 h SER 489 Ca 0.34 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2ww0 h SER 489 Cb 0.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2ww0 h SER 489 CO -0.20 0.60 0.15 0.25 -1.14 0.00 0.00 176.83 176.49 2ww0 h LEU 490 N 0.26 0.51 -0.15 5.07 5.85 -0.77 0.04 115.31 126.12 2ww0 h LEU 490 Ca 0.04 -0.17 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 2ww0 h LEU 490 Cb 0.68 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2ww0 h LEU 490 CO 0.05 0.54 -0.96 -0.26 -0.34 0.00 0.00 178.44 177.47 2ww0 h PHE 491 N 0.45 0.16 -0.98 1.25 0.04 -1.37 -1.30 116.94 115.19 2ww0 h PHE 491 Ca 0.12 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.84 2ww0 h PHE 491 Cb 0.18 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 2ww0 h PHE 491 CO -0.00 0.99 0.64 0.00 -0.60 0.00 0.00 178.31 179.33 2ww0 h ALA 492 N 0.97 1.33 -0.14 2.45 0.00 -1.14 -0.02 119.26 122.71 2ww0 h ALA 492 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ww0 h ALA 492 Cb 1.64 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ww0 h ALA 492 CO 0.14 0.48 -0.02 -0.22 0.00 0.00 0.00 179.25 179.62 2ww0 h LYS 493 N 1.20 0.25 -0.01 0.00 3.64 -0.72 -3.16 116.57 117.78 2ww0 h LYS 493 Ca 0.41 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2ww0 h LYS 493 Cb 0.08 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2ww0 h LYS 493 CO -0.15 0.53 -0.31 0.00 -2.27 0.00 0.00 179.45 177.25 2ww0 h ARG 494 N -0.04 0.02 -0.02 1.90 3.08 -0.82 -1.43 114.38 117.06 2ww0 h ARG 494 Ca 0.04 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2ww0 h ARG 494 Cb 0.43 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ww0 h ARG 494 CO 0.01 0.33 0.10 0.00 -1.07 0.00 0.00 179.97 179.34 2ww0 h ALA 495 N 1.67 1.21 -0.00 0.04 0.00 -0.97 0.25 119.26 121.46 2ww0 h ALA 495 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ww0 h ALA 495 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ww0 h ALA 495 CO 0.04 -0.11 -0.10 -1.33 0.00 0.00 0.00 179.25 177.76 2ww0 n MET 496 N -3.19 0.49 0.31 0.00 2.81 -0.54 -4.38 117.12 112.62 2ww0 n MET 496 Ca -0.02 -0.13 0.18 0.00 -1.81 0.00 0.00 57.70 55.92 2ww0 n MET 496 Cb 0.17 -1.50 1.03 0.00 -0.71 0.00 0.00 33.22 32.21 2ww0 n MET 496 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ww0 h ASN 497 N 0.31 0.00 -0.33 7.83 2.35 -1.07 -1.12 115.58 123.55 2ww0 h ASN 497 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2ww0 h ASN 497 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2ww0 h ASN 497 CO 0.00 0.00 0.34 0.10 -1.65 0.00 0.00 177.43 176.22 2ww0 h TYR 498 N 0.00 0.00 0.00 1.19 -0.00 -1.82 0.24 116.97 116.58 2ww0 h TYR 498 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.70 2ww0 h TYR 498 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.76 2ww0 h TYR 498 CO 0.00 0.00 -0.18 0.87 -0.00 0.00 0.00 178.16 178.85 2ww0 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.56 -2.69 116.57 114.00 2ww0 h LYS 499 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2ww0 h LYS 499 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2ww0 h LYS 499 CO -0.00 0.18 0.00 -0.91 -0.57 0.00 0.00 179.45 178.15 2ww0 h ASN 500 N 0.00 0.00 -0.27 0.86 2.35 -0.72 -2.53 115.58 115.27 2ww0 h ASN 500 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ww0 h ASN 500 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2ww0 h ASN 500 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 2ww0 n LEU 501 N -2.38 2.69 -4.70 1.61 4.77 -1.01 -4.97 117.00 113.01 2ww0 n LEU 501 Ca 0.01 -1.85 -0.41 0.00 -0.03 0.00 0.00 56.01 53.73 2ww0 n LEU 501 Cb 0.16 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2ww0 n LEU 501 CO 0.17 0.66 0.51 0.12 -1.33 0.00 0.00 177.39 177.52 2ww0 s PHE 502 N -0.98 3.53 -0.36 -1.77 5.36 -0.96 -0.80 117.98 122.01 2ww0 s PHE 502 Ca 0.20 1.31 -0.13 0.00 -0.96 0.00 0.00 56.93 57.34 2ww0 s PHE 502 Cb 0.11 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 2ww0 s PHE 502 CO 0.14 -0.05 0.25 0.34 -1.46 0.00 0.00 175.22 174.44 2ww0 s ASP 503 N 0.97 6.04 0.27 6.13 -1.08 -0.21 -4.96 116.67 123.83 2ww0 s ASP 503 Ca 0.40 -0.56 -0.05 0.00 -0.52 0.00 0.00 52.55 51.82 2ww0 s ASP 503 Cb -0.18 -2.14 0.32 0.00 -1.46 0.00 0.00 42.92 39.47 2ww0 s ASP 503 CO 0.17 -0.29 1.93 0.11 0.52 0.00 0.00 175.17 177.62 2ww0 h LYS 504 N 8.52 1.23 0.06 4.34 1.79 -1.92 0.34 116.57 130.93 2ww0 h LYS 504 Ca -0.30 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2ww0 h LYS 504 Cb 1.15 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2ww0 h LYS 504 CO 0.66 0.83 -0.03 1.05 -1.08 0.00 0.00 179.45 180.88 2ww0 h GLU 505 N 1.26 -0.08 0.00 3.15 4.11 -1.95 -3.17 114.58 117.90 2ww0 h GLU 505 Ca 0.34 0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.63 2ww0 h GLU 505 Cb -0.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2ww0 h GLU 505 CO -0.07 0.21 -0.68 0.66 0.07 0.00 0.00 179.01 179.20 2ww0 h SER 506 N -0.37 0.00 -0.98 3.06 4.64 -1.97 -3.47 113.55 114.46 2ww0 h SER 506 Ca -0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 2ww0 h SER 506 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 2ww0 h SER 506 CO 0.01 0.68 -0.22 0.29 -0.87 0.00 0.00 176.83 176.72 2ww0 n LYS 507 N -3.32 -0.73 -4.27 4.77 5.02 0.12 -5.01 118.16 114.73 2ww0 n LYS 507 Ca 0.01 0.63 -0.16 0.00 -2.02 0.00 0.00 58.31 56.77 2ww0 n LYS 507 Cb 0.79 -4.61 -0.10 0.00 -0.02 0.00 0.00 35.03 31.08 2ww0 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww0 s LEU 508 N -2.53 2.52 0.43 -0.35 1.43 -1.18 -4.94 118.68 114.07 2ww0 s LEU 508 Ca 0.00 -0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 51.88 2ww0 s LEU 508 Cb 0.00 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.68 2ww0 s LEU 508 CO 0.00 -0.26 1.23 -0.04 0.23 0.00 0.00 176.35 177.51 2ww0 s MET 509 N -3.53 3.85 -0.15 1.70 -1.94 -1.26 -1.04 119.30 116.91 2ww0 s MET 509 Ca 0.17 1.96 -0.20 0.00 -1.71 0.00 0.00 55.69 55.91 2ww0 s MET 509 Cb 0.00 -2.58 0.05 0.00 2.01 0.00 0.00 34.83 34.31 2ww0 s MET 509 CO 0.02 -0.53 0.54 0.50 -0.01 0.00 0.00 175.02 175.54 2ww0 s ARG 510 N -2.45 0.71 0.34 2.03 3.52 0.02 -4.80 118.95 118.32 2ww0 s ARG 510 Ca 0.60 0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 56.47 2ww0 s ARG 510 Cb -0.33 0.34 -0.12 0.00 -1.56 0.00 0.00 34.95 33.27 2ww0 s ARG 510 CO 0.42 -0.13 1.28 0.41 -0.81 0.00 0.00 175.30 176.46 2ww0 n GLY 511 N 2.27 0.55 3.13 8.12 0.00 -1.26 -4.78 105.19 113.22 2ww0 n GLY 511 Ca -0.16 0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2ww0 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww0 s ARG 512 N -1.83 1.43 0.66 1.61 3.52 -1.26 -0.75 118.95 122.33 2ww0 s ARG 512 Ca 0.56 -0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 2ww0 s ARG 512 Cb -0.58 -1.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.48 2ww0 s ARG 512 CO 0.62 0.29 1.06 -0.80 -0.81 0.00 0.00 175.30 175.66 2ww0 s ASN 513 N -0.18 5.80 0.49 -2.12 0.01 0.57 0.28 114.94 119.79 2ww0 s ASN 513 Ca 0.02 1.25 0.22 0.00 -0.71 0.00 0.00 52.86 53.64 2ww0 s ASN 513 Cb -0.08 -2.16 1.29 0.00 0.41 0.00 0.00 41.25 40.70 2ww0 s ASN 513 CO 0.00 -1.12 2.05 -0.08 -1.51 0.00 0.00 177.10 176.44 2ww0 h GLU 514 N -0.49 0.00 0.00 -0.60 4.81 -1.90 -0.28 114.58 116.11 2ww0 h GLU 514 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2ww0 h GLU 514 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2ww0 h GLU 514 CO 0.63 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.65 2ww0 n ASP 515 N -3.92 0.00 0.00 1.04 5.68 -1.26 -4.90 116.55 113.19 2ww0 n ASP 515 Ca -0.02 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 2ww0 n ASP 515 Cb 0.23 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2ww0 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww0 n GLY 516 N 1.07 1.09 3.75 6.12 0.00 -0.11 -5.06 105.19 112.04 2ww0 n GLY 516 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2ww0 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 517 N -2.29 4.00 0.63 2.61 -4.23 -1.26 -4.78 115.64 110.32 2ww0 s THR 517 Ca 0.00 1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 62.25 2ww0 s THR 517 Cb 0.00 -4.22 -0.02 0.00 1.34 0.00 0.00 72.50 69.60 2ww0 s THR 517 CO 0.00 0.42 1.20 -0.36 -0.54 0.00 0.00 174.62 175.34 2ww0 s PHE 518 N -0.90 2.35 0.40 3.99 0.08 -1.26 -0.32 117.98 122.31 2ww0 s PHE 518 Ca 0.43 1.54 -0.25 0.00 0.12 0.00 0.00 56.93 58.77 2ww0 s PHE 518 Cb -0.27 -3.45 -0.09 0.00 -0.57 0.00 0.00 43.02 38.65 2ww0 s PHE 518 CO 0.34 -2.23 1.11 -1.14 -0.10 0.00 0.00 175.22 173.19 2ww0 s GLN 519 N -3.53 4.10 0.40 0.44 -0.44 0.07 -4.75 119.66 115.95 2ww0 s GLN 519 Ca 0.76 1.68 0.04 0.00 -2.50 0.00 0.00 55.36 55.34 2ww0 s GLN 519 Cb -0.29 -2.62 -0.05 0.00 -1.64 0.00 0.00 33.01 28.41 2ww0 s GLN 519 CO 0.36 -0.24 0.05 -1.12 0.50 0.00 0.00 175.29 174.84 2ww0 s SER 520 N -1.34 3.19 0.06 6.67 0.01 -1.26 -4.22 113.70 116.82 2ww0 s SER 520 Ca 0.57 -1.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.26 2ww0 s SER 520 Cb -0.27 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 2ww0 s SER 520 CO 0.33 -0.67 0.18 -0.81 0.41 0.00 0.00 173.24 172.69 2ww0 n PRO 521 N -0.91 0.00 -3.70 12.44 -0.04 -1.26 -5.08 135.00 136.44 2ww0 n PRO 521 Ca -0.07 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 2ww0 n PRO 521 Cb 0.66 -0.34 -0.12 0.00 -0.04 0.00 0.00 33.50 33.67 2ww0 n PRO 521 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2ww0 s PHE 522 N -0.31 3.13 -0.38 0.54 5.36 -1.26 -5.05 117.98 120.01 2ww0 s PHE 522 Ca 0.22 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 2ww0 s PHE 522 Cb -0.31 -2.28 0.10 0.00 -0.34 0.00 0.00 43.02 40.18 2ww0 s PHE 522 CO 0.18 -0.32 0.16 -1.12 -1.46 0.00 0.00 175.22 172.66 2ww0 s SER 523 N 1.65 5.16 0.57 6.13 0.01 -1.26 -4.94 113.70 121.02 2ww0 s SER 523 Ca 0.06 -1.90 0.27 0.00 1.31 0.00 0.00 55.95 55.69 2ww0 s SER 523 Cb -0.15 -1.79 1.71 0.00 0.21 0.00 0.00 66.02 65.99 2ww0 s SER 523 CO 0.06 -0.48 2.23 -0.65 0.41 0.00 0.00 173.24 174.81 2ww0 h PRO 524 N 8.01 0.00 -0.28 12.44 0.11 -1.97 -1.63 132.00 148.68 2ww0 h PRO 524 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2ww0 h PRO 524 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ww0 h PRO 524 CO 0.65 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 2ww0 n LEU 525 N -3.95 2.49 -4.73 2.35 4.77 -1.26 -2.53 117.00 114.14 2ww0 n LEU 525 Ca -0.03 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.47 2ww0 n LEU 525 Cb 0.09 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2ww0 n LEU 525 CO 0.29 0.53 0.61 -0.75 -1.33 0.00 0.00 177.39 176.74 2ww0 s LYS 526 N -1.64 4.61 0.14 3.23 2.20 -0.62 -1.88 119.74 125.78 2ww0 s LYS 526 Ca 0.35 1.32 -0.08 0.00 -0.36 0.00 0.00 55.97 57.20 2ww0 s LYS 526 Cb 0.20 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2ww0 s LYS 526 CO 0.28 0.17 0.43 -1.58 -0.36 0.00 0.00 175.35 174.30 2ww0 s TRP 527 N 0.21 3.52 0.00 4.03 0.52 -0.83 -4.14 118.94 122.24 2ww0 s TRP 527 Ca 0.45 0.75 0.00 0.00 0.02 0.00 0.00 56.10 57.32 2ww0 s TRP 527 Cb -0.22 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.96 2ww0 s TRP 527 CO 0.27 0.43 0.00 0.41 0.02 0.00 0.00 176.95 178.08 2ww0 n GLY 528 N 0.41 -0.61 7.00 0.98 0.00 -0.55 -4.54 105.19 107.88 2ww0 n GLY 528 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2ww0 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww0 n ASP 529 N -0.30 0.00 0.20 1.61 -0.08 -1.26 -1.20 116.55 115.53 2ww0 n ASP 529 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2ww0 n ASP 529 Cb 0.00 0.00 0.44 0.00 2.34 0.00 0.00 41.12 43.90 2ww0 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ww0 h ALA 530 N -0.68 1.34 -5.13 -1.67 0.00 -1.92 1.35 119.26 112.55 2ww0 h ALA 530 Ca 0.00 -0.28 -0.63 0.00 0.00 0.00 0.00 54.91 54.00 2ww0 h ALA 530 Cb 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.63 2ww0 h ALA 530 CO 0.00 0.38 -0.44 1.19 0.00 0.00 0.00 179.25 180.38 2ww0 n PHE 531 N -3.95 0.93 -4.04 0.00 3.72 -0.34 -0.16 117.46 113.61 2ww0 n PHE 531 Ca -0.02 -2.41 -0.33 0.00 -0.05 0.00 0.00 57.45 54.64 2ww0 n PHE 531 Cb 0.37 -0.34 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 2ww0 n PHE 531 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2ww0 s THR 532 N -2.76 2.41 -1.39 4.37 -4.23 -1.26 -3.99 115.64 108.79 2ww0 s THR 532 Ca 0.04 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2ww0 s THR 532 Cb -0.00 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.65 2ww0 s THR 532 CO 0.02 0.27 0.58 -0.62 -0.54 0.00 0.00 174.62 174.33 2ww0 n GLU 533 N 4.59 -4.06 -3.82 3.99 1.02 -1.26 -4.84 120.64 116.27 2ww0 n GLU 533 Ca -0.18 0.50 0.04 0.00 -0.02 0.00 0.00 57.16 57.50 2ww0 n GLU 533 Cb 0.47 -4.87 0.01 0.00 -0.02 0.00 0.00 31.44 27.03 2ww0 n GLU 533 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ww0 s GLY 534 N -4.26 -0.32 0.36 0.62 0.00 -1.26 -4.93 107.32 97.53 2ww0 s GLY 534 Ca 0.07 0.48 0.01 0.00 0.00 0.00 0.00 44.72 45.28 2ww0 s GLY 534 CO 0.86 3.65 0.04 1.16 0.00 0.00 0.00 173.10 178.81 2ww0 n ASN 535 N -0.78 2.34 -0.16 1.64 0.23 -1.26 -1.49 115.26 115.79 2ww0 n ASN 535 Ca -0.01 -2.70 0.14 0.00 -0.53 0.00 0.00 54.58 51.48 2ww0 n ASN 535 Cb 0.61 0.48 0.49 0.00 -2.08 0.00 0.00 39.78 39.27 2ww0 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww0 h SER 536 N 1.06 0.42 0.38 0.53 0.87 -1.68 0.90 113.55 116.03 2ww0 h SER 536 Ca -0.29 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2ww0 h SER 536 Cb 0.96 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2ww0 h SER 536 CO 0.48 0.22 -0.06 -0.50 -0.53 0.00 0.00 176.83 176.45 2ww0 h TRP 537 N 0.45 0.00 0.06 2.24 4.06 -1.92 -0.83 115.95 120.00 2ww0 h TRP 537 Ca 0.36 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.95 2ww0 h TRP 537 Cb 0.76 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.88 2ww0 h TRP 537 CO -0.00 0.06 -1.99 0.72 -3.56 0.00 0.00 178.44 173.67 2ww0 n HIS 538 N -3.39 0.83 0.16 0.49 8.25 0.23 -4.52 115.22 117.27 2ww0 n HIS 538 Ca -0.02 0.23 0.06 0.00 -0.26 0.00 0.00 57.72 57.73 2ww0 n HIS 538 Cb 0.20 -1.10 0.07 0.00 1.12 0.00 0.00 29.99 30.28 2ww0 n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ww0 h TYR 539 N -0.30 0.00 -0.41 4.41 -1.99 -1.20 -3.28 116.97 114.20 2ww0 h TYR 539 Ca -0.47 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.38 2ww0 h TYR 539 Cb 1.80 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.51 2ww0 h TYR 539 CO 0.06 0.31 0.41 1.15 -0.00 0.00 0.00 178.16 180.08 2ww0 h THR 540 N 0.00 0.44 -0.05 -2.88 2.02 -1.38 0.01 112.91 111.06 2ww0 h THR 540 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2ww0 h THR 540 Cb 1.24 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2ww0 h THR 540 CO 0.04 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.72 2ww0 n TRP 541 N -3.82 0.06 -1.79 3.16 7.02 -1.24 -4.58 117.44 116.25 2ww0 n TRP 541 Ca 0.07 -0.03 -0.42 0.00 -1.02 0.00 0.00 57.50 56.11 2ww0 n TRP 541 Cb 0.59 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.47 2ww0 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww0 n SER 542 N -0.32 4.83 -3.14 -0.99 7.64 -0.01 -4.45 113.62 117.17 2ww0 n SER 542 Ca 0.18 -2.86 -0.19 0.00 1.01 0.00 0.00 58.87 57.00 2ww0 n SER 542 Cb 0.21 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 2ww0 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww0 n VAL 543 N 4.50 0.38 -0.16 0.44 0.31 -1.26 -4.75 118.33 117.79 2ww0 n VAL 543 Ca 0.54 -4.74 0.15 0.00 -0.01 0.00 0.00 64.34 60.28 2ww0 n VAL 543 Cb 0.36 -0.44 0.50 0.00 -0.91 0.00 0.00 33.84 33.35 2ww0 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww0 h PHE 544 N 3.00 0.48 0.00 3.52 -1.00 -1.88 -1.23 116.94 119.82 2ww0 h PHE 544 Ca 0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2ww0 h PHE 544 Cb 0.90 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2ww0 h PHE 544 CO 0.52 0.19 -0.47 -2.39 -1.61 0.00 0.00 178.31 174.55 2ww0 n HIS 545 N -4.48 0.28 -3.03 -0.55 1.44 -1.26 -4.52 115.22 103.10 2ww0 n HIS 545 Ca 0.14 0.08 -0.15 0.00 -2.01 0.00 0.00 57.72 55.78 2ww0 n HIS 545 Cb 0.51 -0.49 0.01 0.00 0.12 0.00 0.00 29.99 30.14 2ww0 n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2ww0 n ASP 546 N -1.80 -0.08 -0.20 4.39 2.03 -0.48 0.03 116.55 120.44 2ww0 n ASP 546 Ca 0.05 -3.19 -0.00 0.00 0.52 0.00 0.00 54.79 52.17 2ww0 n ASP 546 Cb 0.39 0.13 0.23 0.00 -0.72 0.00 0.00 41.12 41.14 2ww0 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww0 h PRO 547 N 2.99 0.97 -0.81 -0.67 0.11 -1.76 -1.30 132.00 131.51 2ww0 h PRO 547 Ca 0.03 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2ww0 h PRO 547 Cb 1.02 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 2ww0 h PRO 547 CO 0.39 0.67 0.38 0.37 -0.21 0.00 0.00 178.00 179.60 2ww0 h GLN 548 N 0.99 1.18 -0.71 1.05 5.75 -1.91 0.22 115.11 121.68 2ww0 h GLN 548 Ca 0.26 -0.18 0.10 0.00 -0.15 0.00 0.00 58.65 58.67 2ww0 h GLN 548 Cb -0.05 -0.21 -0.07 0.00 1.07 0.00 0.00 27.48 28.22 2ww0 h GLN 548 CO -0.05 0.92 0.34 0.78 -2.65 0.00 0.00 178.83 178.17 2ww0 h GLY 549 N 1.16 1.06 0.92 2.39 0.00 -1.65 0.20 103.07 107.15 2ww0 h GLY 549 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 2ww0 h GLY 549 CO -0.03 0.04 -0.09 -2.00 0.00 0.00 0.00 176.54 174.46 2ww0 h LEU 550 N 0.58 0.65 -0.68 3.11 5.85 -0.84 -1.77 115.31 122.21 2ww0 h LEU 550 Ca 0.35 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2ww0 h LEU 550 Cb 0.40 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2ww0 h LEU 550 CO -0.28 0.87 0.25 0.40 -0.34 0.00 0.00 178.44 179.33 2ww0 h ILE 551 N 0.43 0.69 -0.18 4.05 2.04 0.41 -2.19 117.51 122.76 2ww0 h ILE 551 Ca 0.08 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2ww0 h ILE 551 Cb 0.59 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2ww0 h ILE 551 CO 0.03 0.07 0.08 0.44 0.00 0.00 0.00 178.15 178.78 2ww0 h ASP 552 N 0.40 0.24 -0.32 1.72 3.32 -0.30 -2.42 116.42 119.05 2ww0 h ASP 552 Ca 0.36 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.36 2ww0 h ASP 552 Cb 0.51 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2ww0 h ASP 552 CO -0.37 0.30 0.22 -0.07 -1.72 0.00 0.00 179.24 177.60 2ww0 h LEU 553 N 0.16 0.08 -0.06 1.55 3.38 -0.88 -0.43 115.31 119.11 2ww0 h LEU 553 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ww0 h LEU 553 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ww0 h LEU 553 CO -0.01 0.05 -0.07 0.23 0.09 0.00 0.00 178.44 178.74 2ww0 n MET 554 N -4.46 0.36 -0.78 1.13 2.81 -0.86 -4.93 117.12 110.38 2ww0 n MET 554 Ca 0.04 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2ww0 n MET 554 Cb 0.33 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2ww0 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 555 N 1.35 0.50 0.00 3.03 0.00 -0.17 -4.61 105.19 105.29 2ww0 n GLY 555 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ww0 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 556 N -0.40 -0.41 0.32 -0.02 0.00 -0.95 -4.37 105.19 99.35 2ww0 n GLY 556 Ca 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.31 2ww0 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww0 h LYS 557 N 0.00 0.91 -0.19 1.61 2.10 -1.93 -2.19 116.57 116.89 2ww0 h LYS 557 Ca 0.00 -0.15 0.05 0.00 -2.00 0.00 0.00 60.65 58.55 2ww0 h LYS 557 Cb 0.00 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 31.12 2ww0 h LYS 557 CO 0.00 0.76 -0.16 0.93 -2.00 0.00 0.00 179.45 178.98 2ww0 h GLU 558 N 0.89 -0.16 -0.05 0.07 3.07 -1.91 0.16 114.58 116.65 2ww0 h GLU 558 Ca 0.21 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.97 2ww0 h GLU 558 Cb 0.19 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2ww0 h GLU 558 CO -0.02 -0.11 -0.47 0.52 -1.40 0.00 0.00 179.01 177.54 2ww0 h MET 559 N -0.17 0.12 0.11 2.33 2.86 -1.72 -0.93 114.93 117.53 2ww0 h MET 559 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2ww0 h MET 559 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2ww0 h MET 559 CO -0.29 0.57 -0.05 0.35 1.06 0.00 0.00 176.91 178.55 2ww0 h PHE 560 N 0.10 -0.13 -0.74 -0.22 3.04 -0.68 -0.70 116.94 117.61 2ww0 h PHE 560 Ca 0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2ww0 h PHE 560 Cb 0.86 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.39 2ww0 h PHE 560 CO 0.01 -0.01 0.33 0.28 -2.02 0.00 0.00 178.31 176.90 2ww0 h VAL 561 N -0.23 1.24 -0.69 1.41 2.07 -0.49 -0.88 116.25 118.67 2ww0 h VAL 561 Ca -0.01 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2ww0 h VAL 561 Cb 0.19 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2ww0 h VAL 561 CO 0.02 0.30 0.40 0.74 0.02 0.00 0.00 177.57 179.05 2ww0 h THR 562 N 1.06 1.00 -0.09 2.57 2.02 -0.91 -0.12 112.91 118.44 2ww0 h THR 562 Ca 0.25 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2ww0 h THR 562 Cb 0.15 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ww0 h THR 562 CO -0.03 0.14 0.05 -0.03 0.37 0.00 0.00 175.52 176.02 2ww0 h MET 563 N 0.75 0.13 -0.22 6.66 -1.53 -0.44 -2.75 114.93 117.53 2ww0 h MET 563 Ca 0.30 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.59 2ww0 h MET 563 Cb 0.15 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 2ww0 h MET 563 CO -0.16 0.14 -0.01 0.52 0.14 0.00 0.00 176.91 177.54 2ww0 h MET 564 N 0.07 0.05 -0.47 0.39 2.86 -0.72 -2.73 114.93 114.38 2ww0 h MET 564 Ca 0.03 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2ww0 h MET 564 Cb 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2ww0 h MET 564 CO -0.01 0.04 0.31 -0.44 1.06 0.00 0.00 176.91 177.87 2ww0 h ASP 565 N 0.06 0.34 1.13 1.22 3.32 -0.87 0.10 116.42 121.72 2ww0 h ASP 565 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ww0 h ASP 565 Cb 0.14 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ww0 h ASP 565 CO -0.18 0.22 0.00 -1.54 -1.72 0.00 0.00 179.24 176.02 2ww0 n SER 566 N -4.47 0.46 -0.21 6.45 3.41 -1.03 -1.74 113.62 116.48 2ww0 n SER 566 Ca 0.06 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.17 2ww0 n SER 566 Cb 0.25 -0.68 0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2ww0 n SER 566 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ww0 h VAL 567 N 0.00 1.17 0.00 -3.33 2.07 -0.94 -2.22 116.25 113.00 2ww0 h VAL 567 Ca 0.00 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 2ww0 h VAL 567 Cb 0.57 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2ww0 h VAL 567 CO 0.00 0.17 -0.84 -0.26 0.02 0.00 0.00 177.57 176.67 2ww0 h PHE 568 N 0.82 0.00 0.00 1.57 0.04 -1.55 0.43 116.94 118.26 2ww0 h PHE 568 Ca 0.22 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.79 2ww0 h PHE 568 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2ww0 h PHE 568 CO -0.02 0.79 -0.89 0.00 -0.60 0.00 0.00 178.31 177.58 2ww0 h ALA 569 N 1.21 0.50 -2.55 2.45 0.00 -1.08 -3.17 119.26 116.62 2ww0 h ALA 569 Ca -0.02 -0.73 -0.52 0.00 0.00 0.00 0.00 54.91 53.64 2ww0 h ALA 569 Cb 1.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2ww0 h ALA 569 CO 0.10 0.91 0.10 0.14 0.00 0.00 0.00 179.25 180.50 2ww0 s VAL 570 N -3.20 4.58 0.89 0.00 -7.23 -0.86 -4.94 120.40 109.64 2ww0 s VAL 570 Ca -0.03 1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 61.31 2ww0 s VAL 570 Cb 0.10 -3.87 0.12 0.00 0.56 0.00 0.00 36.38 33.29 2ww0 s VAL 570 CO 0.83 0.24 1.08 -0.81 -0.31 0.00 0.00 175.10 176.13 2ww0 n PRO 571 N 0.81 -0.25 -1.50 4.82 -0.04 -1.26 -3.76 135.00 133.82 2ww0 n PRO 571 Ca -0.03 -0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.07 2ww0 n PRO 571 Cb 0.51 -2.33 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 2ww0 n PRO 571 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ww0 n PRO 572 N -3.66 3.72 -2.17 0.54 -0.04 -1.26 -4.65 135.00 127.49 2ww0 n PRO 572 Ca 0.12 -2.47 -0.29 0.00 -0.04 0.00 0.00 63.50 60.81 2ww0 n PRO 572 Cb 0.52 -2.62 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 2ww0 n PRO 572 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ww0 s ILE 573 N 0.75 4.71 0.16 0.52 -1.16 -1.26 -4.79 121.20 120.12 2ww0 s ILE 573 Ca 0.64 0.58 -0.24 0.00 -0.51 0.00 0.00 60.65 61.12 2ww0 s ILE 573 Cb 0.21 -3.84 0.06 0.00 0.61 0.00 0.00 42.46 39.50 2ww0 s ILE 573 CO -0.07 -1.00 0.76 0.72 -2.81 0.00 0.00 174.94 172.53 2ww0 s PHE 574 N -3.02 -0.33 -0.24 3.50 -0.12 -1.26 -4.99 117.98 111.52 2ww0 s PHE 574 Ca 0.52 0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 57.46 2ww0 s PHE 574 Cb -0.11 0.61 0.07 0.00 -0.63 0.00 0.00 43.02 42.96 2ww0 s PHE 574 CO 0.50 -0.89 -0.01 0.34 -0.05 0.00 0.00 175.22 175.12 2ww0 s ASP 575 N -2.77 3.72 -0.08 1.98 -1.08 -0.79 -4.99 116.67 112.66 2ww0 s ASP 575 Ca 0.06 -1.20 0.19 0.00 -0.52 0.00 0.00 52.55 51.08 2ww0 s ASP 575 Cb -0.02 -1.04 0.66 0.00 -1.46 0.00 0.00 42.92 41.06 2ww0 s ASP 575 CO -0.04 -0.28 1.57 -0.90 0.52 0.00 0.00 175.17 176.04 2ww0 n ASP 576 N 4.75 4.40 -0.30 -0.34 5.75 -1.26 -1.97 116.55 127.58 2ww0 n ASP 576 Ca -0.09 -2.33 0.32 0.00 -0.01 0.00 0.00 54.79 52.67 2ww0 n ASP 576 Cb 0.44 -0.53 0.70 0.00 -1.03 0.00 0.00 41.12 40.71 2ww0 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww0 h SER 577 N 3.87 0.08 1.11 -1.12 4.64 -1.94 0.33 113.55 120.54 2ww0 h SER 577 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ww0 h SER 577 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2ww0 h SER 577 CO 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 2ww0 n TYR 578 N -4.28 0.83 0.06 4.77 9.36 -1.26 -3.20 117.16 123.44 2ww0 n TYR 578 Ca 0.24 0.28 0.03 0.00 3.32 0.00 0.00 57.90 61.77 2ww0 n TYR 578 Cb 1.13 -0.95 -0.04 0.00 -0.63 0.00 0.00 39.34 38.84 2ww0 n TYR 578 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2ww0 n TYR 579 N -2.21 0.00 0.00 2.98 4.01 0.11 -4.95 117.16 117.10 2ww0 n TYR 579 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2ww0 n TYR 579 Cb 0.33 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2ww0 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww0 n GLY 580 N 1.93 2.82 3.08 2.72 0.00 -0.57 -4.92 105.19 110.25 2ww0 n GLY 580 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2ww0 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 581 N 0.00 0.58 -1.14 1.61 -2.07 -1.26 -4.99 119.66 112.39 2ww0 s GLN 581 Ca 0.00 -1.10 -0.22 0.00 -1.82 0.00 0.00 55.36 52.22 2ww0 s GLN 581 Cb 0.00 0.11 -0.00 0.00 -1.09 0.00 0.00 33.01 32.03 2ww0 s GLN 581 CO 0.00 -0.08 1.78 0.08 -1.32 0.00 0.00 175.29 175.75 2ww0 s VAL 582 N -3.32 3.79 0.80 3.63 1.01 -1.26 -4.95 120.40 120.10 2ww0 s VAL 582 Ca 0.03 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 2ww0 s VAL 582 Cb 0.04 -4.77 0.05 0.00 0.00 0.00 0.00 36.38 31.69 2ww0 s VAL 582 CO -0.07 -1.51 1.00 2.30 0.00 0.00 0.00 175.10 176.82 2ww0 n ILE 583 N 7.18 1.94 -0.22 2.22 -5.35 -1.26 -4.59 119.36 119.28 2ww0 n ILE 583 Ca 0.43 -0.26 0.13 0.00 -0.27 0.00 0.00 62.75 62.78 2ww0 n ILE 583 Cb 0.47 -1.07 0.42 0.00 -1.74 0.00 0.00 39.64 37.73 2ww0 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww0 h HIS 584 N -0.79 0.69 0.00 4.28 2.07 -1.78 0.93 115.15 120.55 2ww0 h HIS 584 Ca -0.46 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.02 2ww0 h HIS 584 Cb 1.31 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 2ww0 h HIS 584 CO 0.43 0.27 -0.29 1.05 -3.07 0.00 0.00 177.93 176.32 2ww0 h GLU 585 N 0.60 0.00 -0.06 5.12 9.09 -1.89 0.13 114.58 127.57 2ww0 h GLU 585 Ca 0.40 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.75 2ww0 h GLU 585 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2ww0 h GLU 585 CO -0.16 0.29 -0.22 0.82 0.05 0.00 0.00 179.01 179.78 2ww0 h ILE 586 N 0.00 1.44 -0.50 -1.06 2.04 -1.15 -2.98 117.51 115.30 2ww0 h ILE 586 Ca -0.00 -1.63 0.07 0.00 1.00 0.00 0.00 64.86 64.29 2ww0 h ILE 586 Cb 0.70 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 2ww0 h ILE 586 CO 0.04 0.46 0.18 -0.09 0.00 0.00 0.00 178.15 178.74 2ww0 h ARG 587 N -0.26 0.35 -0.68 2.37 9.65 -1.09 -1.07 114.38 123.65 2ww0 h ARG 587 Ca -0.01 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.95 2ww0 h ARG 587 Cb 0.86 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.31 2ww0 h ARG 587 CO 0.05 0.23 0.45 0.93 2.80 0.00 0.00 179.97 184.43 2ww0 h GLU 588 N 0.36 0.51 -0.20 0.20 5.08 -0.78 -0.64 114.58 119.12 2ww0 h GLU 588 Ca 0.24 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 2ww0 h GLU 588 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2ww0 h GLU 588 CO -0.24 0.34 -0.48 1.98 -1.00 0.00 0.00 179.01 179.61 2ww0 h MET 589 N 0.52 0.67 -0.76 2.33 4.05 -1.05 -3.31 114.93 117.39 2ww0 h MET 589 Ca 0.32 -0.46 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2ww0 h MET 589 Cb 0.54 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 2ww0 h MET 589 CO -0.10 1.08 0.40 1.79 0.23 0.00 0.00 176.91 180.31 2ww0 h THR 590 N 0.37 1.23 0.00 -0.77 1.35 -0.45 -2.86 112.91 111.78 2ww0 h THR 590 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2ww0 h THR 590 Cb 1.10 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2ww0 h THR 590 CO 0.11 0.26 0.00 -0.37 -0.25 0.00 0.00 175.52 175.27 2ww0 h VAL 591 N 1.06 0.00 0.00 6.82 -1.51 -1.56 -3.24 116.25 117.82 2ww0 h VAL 591 Ca 0.27 -0.66 -0.05 0.00 -1.23 0.00 0.00 66.70 65.03 2ww0 h VAL 591 Cb 0.05 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2ww0 h VAL 591 CO -0.04 0.00 -0.24 0.24 -1.23 0.00 0.00 177.57 176.30 2ww0 h MET 592 N 0.00 0.00 -5.80 5.19 2.86 -1.61 -3.47 114.93 112.11 2ww0 h MET 592 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 2ww0 h MET 592 Cb 0.71 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.51 2ww0 h MET 592 CO 0.00 0.24 -0.76 -1.71 1.06 0.00 0.00 176.91 175.74 2ww0 n ASN 593 N -3.25 -3.17 -2.74 1.22 4.05 -1.22 -4.93 115.26 105.22 2ww0 n ASN 593 Ca 0.02 -0.64 -0.19 0.00 0.45 0.00 0.00 54.58 54.22 2ww0 n ASN 593 Cb 0.53 -4.89 -0.00 0.00 1.23 0.00 0.00 39.78 36.65 2ww0 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww0 n MET 594 N -4.40 2.20 0.00 1.20 2.81 -1.26 -5.09 117.12 112.57 2ww0 n MET 594 Ca -0.20 -3.95 0.00 0.00 -1.81 0.00 0.00 57.70 51.75 2ww0 n MET 594 Cb 0.64 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2ww0 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 595 N -0.17 3.10 1.79 3.03 0.00 -1.20 -1.52 105.19 110.22 2ww0 n GLY 595 Ca 0.25 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2ww0 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 596 N 2.77 5.57 -4.55 1.61 3.02 0.15 -4.07 115.26 119.76 2ww0 n ASN 596 Ca 0.00 -2.95 -0.41 0.00 -0.03 0.00 0.00 54.58 51.19 2ww0 n ASN 596 Cb 0.00 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 2ww0 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww0 s TYR 597 N -2.79 2.44 -1.24 3.10 5.04 -0.58 -4.88 117.35 118.44 2ww0 s TYR 597 Ca 0.54 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 54.58 2ww0 s TYR 597 Cb 0.41 -4.64 0.18 0.00 0.35 0.00 0.00 41.96 38.26 2ww0 s TYR 597 CO 0.15 -1.98 1.74 0.00 -1.34 0.00 0.00 175.55 174.12 2ww0 n ALA 598 N 9.01 5.04 0.28 3.97 0.00 -1.26 -4.77 120.51 132.78 2ww0 n ALA 598 Ca 0.18 -4.36 0.18 0.00 0.00 0.00 0.00 53.44 49.44 2ww0 n ALA 598 Cb 0.50 -2.92 0.91 0.00 0.00 0.00 0.00 19.45 17.94 2ww0 n ALA 598 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ww0 h HIS 599 N 6.00 0.00 0.00 0.00 2.76 -1.93 -1.46 115.15 120.52 2ww0 h HIS 599 Ca 0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2ww0 h HIS 599 Cb 0.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2ww0 h HIS 599 CO 1.19 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.23 2ww0 n GLY 600 N -0.98 -0.79 3.23 5.26 0.00 -1.26 -4.73 105.19 105.93 2ww0 n GLY 600 Ca -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ww0 s ASN 601 N -2.64 1.51 0.12 1.61 2.47 -0.55 -3.87 114.94 113.59 2ww0 s ASN 601 Ca 0.12 -1.04 -0.13 0.00 0.42 0.00 0.00 52.86 52.23 2ww0 s ASN 601 Cb 0.09 0.04 -0.07 0.00 -1.45 0.00 0.00 41.25 39.86 2ww0 s ASN 601 CO 0.22 -0.42 1.44 1.56 -3.72 0.00 0.00 177.10 176.18 2ww0 h GLN 602 N 2.81 0.82 -0.93 0.43 7.50 -1.85 -3.30 115.11 120.59 2ww0 h GLN 602 Ca -0.36 -0.45 0.21 0.00 0.50 0.00 0.00 58.65 58.55 2ww0 h GLN 602 Cb 1.19 0.02 -0.07 0.00 0.05 0.00 0.00 27.48 28.67 2ww0 h GLN 602 CO 0.64 1.08 0.61 -1.35 -1.50 0.00 0.00 178.83 178.32 2ww0 h PRO 603 N 0.60 0.41 -0.11 1.46 0.11 -1.92 -1.81 132.00 130.74 2ww0 h PRO 603 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2ww0 h PRO 603 Cb 0.96 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2ww0 h PRO 603 CO 0.09 0.27 0.00 1.51 -0.21 0.00 0.00 178.00 179.66 2ww0 n ILE 604 N -4.53 0.11 0.27 4.15 3.06 -1.24 -4.50 119.36 116.68 2ww0 n ILE 604 Ca 0.20 -0.54 0.11 0.00 -2.50 0.00 0.00 62.75 60.03 2ww0 n ILE 604 Cb 0.72 1.32 0.55 0.00 0.54 0.00 0.00 39.64 42.77 2ww0 n ILE 604 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ww0 n GLN 605 N 1.31 0.17 0.00 9.51 6.02 -0.68 -1.34 117.38 132.36 2ww0 n GLN 605 Ca 0.16 0.54 0.11 0.00 -0.01 0.00 0.00 57.00 57.80 2ww0 n GLN 605 Cb 0.59 -1.93 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 2ww0 n GLN 605 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2ww0 n HIS 606 N -2.26 0.06 -0.12 1.08 1.44 -1.26 -4.68 115.22 109.48 2ww0 n HIS 606 Ca 0.00 0.02 -0.05 0.00 -2.01 0.00 0.00 57.72 55.68 2ww0 n HIS 606 Cb 0.12 -0.34 0.02 0.00 0.12 0.00 0.00 29.99 29.91 2ww0 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww0 h MET 607 N 0.00 0.05 -0.96 -1.40 -1.53 -1.52 -1.43 114.93 108.15 2ww0 h MET 607 Ca 0.00 -0.00 0.24 0.00 -3.44 0.00 0.00 59.70 56.50 2ww0 h MET 607 Cb 0.81 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.78 2ww0 h MET 607 CO 0.00 0.04 0.64 0.82 0.14 0.00 0.00 176.91 178.55 2ww0 h ILE 608 N 0.06 0.59 0.00 1.77 2.04 -1.83 0.41 117.51 120.55 2ww0 h ILE 608 Ca 0.19 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2ww0 h ILE 608 Cb 0.29 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ww0 h ILE 608 CO -0.36 0.06 -0.05 1.88 0.00 0.00 0.00 178.15 179.67 2ww0 h TYR 609 N 0.32 0.00 0.00 1.37 -1.99 -1.60 -2.62 116.97 112.45 2ww0 h TYR 609 Ca 0.51 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.23 2ww0 h TYR 609 Cb 1.43 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.15 2ww0 h TYR 609 CO -0.00 0.05 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.10 2ww0 h LEU 610 N 0.00 0.00 -1.70 3.88 4.07 -0.26 -1.04 115.31 120.27 2ww0 h LEU 610 Ca -0.00 0.00 0.29 0.00 0.08 0.00 0.00 57.88 58.24 2ww0 h LEU 610 Cb 0.32 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 2ww0 h LEU 610 CO 0.01 0.04 0.72 1.88 -1.08 0.00 0.00 178.44 180.01 2ww0 h TYR 611 N 0.00 0.31 -0.68 1.13 0.05 -1.61 0.32 116.97 116.49 2ww0 h TYR 611 Ca -0.00 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 2ww0 h TYR 611 Cb 0.09 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2ww0 h TYR 611 CO 0.00 0.04 0.42 -0.44 -1.05 0.00 0.00 178.16 177.13 2ww0 h ASP 612 N 0.19 0.81 0.51 3.88 5.19 -1.41 -2.15 116.42 123.43 2ww0 h ASP 612 Ca 0.54 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 2ww0 h ASP 612 Cb 1.76 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.07 2ww0 h ASP 612 CO -0.14 0.62 0.00 1.88 -3.12 0.00 0.00 179.24 178.48 2ww0 h TYR 613 N 0.93 0.00 -0.53 4.55 -1.99 -0.52 -2.31 116.97 117.10 2ww0 h TYR 613 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 2ww0 h TYR 613 Cb -0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.68 2ww0 h TYR 613 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.14 2ww0 n ALA 614 N -1.86 2.33 -1.65 3.88 0.00 -0.86 -4.93 120.51 117.42 2ww0 n ALA 614 Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 53.44 52.15 2ww0 n ALA 614 Cb 0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 2ww0 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww0 n GLY 615 N 1.03 0.39 2.44 0.00 0.00 -0.87 -4.91 105.19 103.28 2ww0 n GLY 615 Ca 0.18 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 2ww0 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww0 n GLN 616 N -1.93 1.58 -0.04 1.61 6.02 -0.93 -4.59 117.38 119.10 2ww0 n GLN 616 Ca -0.03 -3.69 0.24 0.00 -0.01 0.00 0.00 57.00 53.51 2ww0 n GLN 616 Cb 0.35 -1.74 0.72 0.00 1.02 0.00 0.00 30.24 30.59 2ww0 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww0 h PRO 617 N 2.97 0.00 0.00 -1.09 0.13 -1.83 -1.25 132.00 130.93 2ww0 h PRO 617 Ca 0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 2ww0 h PRO 617 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2ww0 h PRO 617 CO 0.58 0.00 -0.33 0.11 -0.23 0.00 0.00 178.00 178.13 2ww0 h TRP 618 N 0.00 0.00 -0.14 1.56 0.09 -1.90 -0.29 115.95 115.27 2ww0 h TRP 618 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 58.89 59.14 2ww0 h TRP 618 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.57 2ww0 h TRP 618 CO 0.00 0.33 -0.50 0.87 0.09 0.00 0.00 178.44 179.24 2ww0 h LYS 619 N 0.00 0.37 -0.30 0.12 1.57 -1.61 -1.23 116.57 115.49 2ww0 h LYS 619 Ca -0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 2ww0 h LYS 619 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2ww0 h LYS 619 CO 0.04 0.79 0.05 0.00 -0.57 0.00 0.00 179.45 179.75 2ww0 h ALA 620 N 1.18 0.40 -0.35 3.86 0.00 -1.38 -2.52 119.26 120.45 2ww0 h ALA 620 Ca 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ww0 h ALA 620 Cb 0.98 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2ww0 h ALA 620 CO 0.08 0.10 0.00 1.96 0.00 0.00 0.00 179.25 181.39 2ww0 h GLN 621 N 0.32 0.10 0.09 0.00 4.20 -0.88 -0.34 115.11 118.61 2ww0 h GLN 621 Ca 0.09 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2ww0 h GLN 621 Cb 0.35 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2ww0 h GLN 621 CO 0.01 0.07 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.15 2ww0 h TYR 622 N 0.10 -0.42 -0.11 2.96 3.20 -1.13 -2.60 116.97 118.97 2ww0 h TYR 622 Ca 0.17 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.82 2ww0 h TYR 622 Cb 0.23 0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.69 2ww0 h TYR 622 CO -0.24 -0.24 -0.84 -1.49 -1.64 0.00 0.00 178.16 173.71 2ww0 h TRP 623 N -0.31 1.03 -0.57 -3.82 4.06 -1.26 -2.51 115.95 112.58 2ww0 h TRP 623 Ca 0.02 -0.48 0.07 0.00 2.06 0.00 0.00 58.89 60.56 2ww0 h TRP 623 Cb 0.33 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.28 2ww0 h TRP 623 CO -0.17 1.31 0.25 -0.07 -3.56 0.00 0.00 178.44 176.20 2ww0 h LEU 624 N 0.49 0.31 -0.90 -4.49 4.07 -1.06 0.17 115.31 113.91 2ww0 h LEU 624 Ca -0.07 0.05 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 2ww0 h LEU 624 Cb 1.47 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 2ww0 h LEU 624 CO 0.17 0.21 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.47 2ww0 h ARG 625 N 0.47 0.61 -0.06 1.13 9.65 -1.37 -0.59 114.38 124.22 2ww0 h ARG 625 Ca 0.27 -0.21 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 2ww0 h ARG 625 Cb 0.25 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 2ww0 h ARG 625 CO -0.23 0.76 -0.24 1.96 2.80 0.00 0.00 179.97 185.02 2ww0 h GLN 626 N 0.55 -0.33 0.08 0.20 1.08 -0.73 -0.98 115.11 114.98 2ww0 h GLN 626 Ca 0.09 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2ww0 h GLN 626 Cb 0.62 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 2ww0 h GLN 626 CO 0.04 -0.22 -0.11 0.28 -0.95 0.00 0.00 178.83 177.87 2ww0 h VAL 627 N -0.34 0.74 -0.33 -0.54 2.07 -0.42 0.09 116.25 117.52 2ww0 h VAL 627 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2ww0 h VAL 627 Cb 0.46 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2ww0 h VAL 627 CO -0.26 0.00 0.22 0.24 0.02 0.00 0.00 177.57 177.79 2ww0 h MET 628 N -0.23 0.31 0.13 1.57 2.86 -0.96 0.74 114.93 119.36 2ww0 h MET 628 Ca 0.01 -0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 2ww0 h MET 628 Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ww0 h MET 628 CO -0.05 0.21 -1.31 -0.44 1.06 0.00 0.00 176.91 176.37 2ww0 h ASP 629 N 0.32 0.44 0.00 1.22 3.32 -0.66 -3.39 116.42 117.67 2ww0 h ASP 629 Ca 0.14 -0.49 -0.17 0.00 0.02 0.00 0.00 57.03 56.52 2ww0 h ASP 629 Cb 0.14 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2ww0 h ASP 629 CO -0.03 1.39 -1.80 0.54 -1.72 0.00 0.00 179.24 177.62 2ww0 n ARG 630 N -3.52 1.51 -0.00 3.56 1.74 -0.03 -4.59 116.66 115.33 2ww0 n ARG 630 Ca -0.10 -0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.06 2ww0 n ARG 630 Cb 1.03 -1.32 0.16 0.00 -1.02 0.00 0.00 32.46 31.31 2ww0 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww0 n MET 631 N -2.33 2.24 -3.99 5.56 2.81 0.20 -4.84 117.12 116.77 2ww0 n MET 631 Ca -0.16 -1.81 -0.21 0.00 -1.81 0.00 0.00 57.70 53.72 2ww0 n MET 631 Cb 0.76 -1.46 -0.17 0.00 -0.71 0.00 0.00 33.22 31.64 2ww0 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww0 s TYR 632 N -1.99 0.68 0.09 2.03 1.51 -1.26 -3.54 117.35 114.87 2ww0 s TYR 632 Ca 0.30 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 2ww0 s TYR 632 Cb 0.20 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 2ww0 s TYR 632 CO 0.30 -0.23 -0.07 0.95 -1.11 0.00 0.00 175.55 175.39 2ww0 s THR 633 N 1.30 0.73 -2.41 -0.71 -4.23 -0.06 -4.85 115.64 105.41 2ww0 s THR 633 Ca -0.05 -1.79 0.29 0.00 -1.18 0.00 0.00 61.69 58.95 2ww0 s THR 633 Cb -0.13 -1.51 0.62 0.00 1.34 0.00 0.00 72.50 72.82 2ww0 s THR 633 CO -0.02 -0.76 1.84 -0.81 -0.54 0.00 0.00 174.62 174.32 2ww0 n PRO 634 N 0.23 1.54 -0.48 3.99 -0.04 -1.26 -4.07 135.00 134.91 2ww0 n PRO 634 Ca -0.14 -0.78 -0.05 0.00 -0.04 0.00 0.00 63.50 62.49 2ww0 n PRO 634 Cb 0.60 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2ww0 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 635 N 1.14 -0.76 0.26 0.55 0.00 -1.26 -4.75 105.19 100.37 2ww0 n GLY 635 Ca 0.20 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.60 2ww0 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww0 h PRO 636 N 0.00 0.00 -1.22 1.61 0.11 -1.91 -1.45 132.00 129.14 2ww0 h PRO 636 Ca -0.07 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.38 2ww0 h PRO 636 Cb 0.21 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.99 2ww0 h PRO 636 CO 0.06 0.12 0.35 -0.40 -0.21 0.00 0.00 178.00 177.91 2ww0 n ASP 637 N -3.66 6.70 -0.01 -2.05 3.85 -1.26 -0.61 116.55 119.51 2ww0 n ASP 637 Ca -0.02 -3.78 -0.06 0.00 -0.71 0.00 0.00 54.79 50.22 2ww0 n ASP 637 Cb 0.23 -0.79 0.13 0.00 -1.35 0.00 0.00 41.12 39.34 2ww0 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww0 h GLY 638 N 2.32 0.63 -1.28 6.12 0.00 -1.33 -3.46 103.07 106.07 2ww0 h GLY 638 Ca 0.51 -0.57 -0.46 0.00 0.00 0.00 0.00 47.33 46.81 2ww0 h GLY 638 CO 1.29 0.52 0.18 -0.19 0.00 0.00 0.00 176.54 178.34 2ww0 s TYR 639 N -4.38 2.17 -0.55 5.60 1.51 -0.16 -0.88 117.35 120.66 2ww0 s TYR 639 Ca -0.08 0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 2ww0 s TYR 639 Cb 0.13 -3.23 0.18 0.00 -0.11 0.00 0.00 41.96 38.94 2ww0 s TYR 639 CO 0.82 -1.67 1.15 0.00 -1.11 0.00 0.00 175.55 174.73 2ww0 n GLY 641 N 0.10 -1.20 3.78 0.00 0.00 -1.20 -4.47 105.19 102.19 2ww0 n GLY 641 Ca 0.07 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2ww0 n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww0 s ASP 642 N -1.97 6.36 0.18 1.61 1.01 -1.25 -2.92 116.67 119.70 2ww0 s ASP 642 Ca 0.00 2.99 -0.04 0.00 0.71 0.00 0.00 52.55 56.21 2ww0 s ASP 642 Cb 0.00 -2.66 0.09 0.00 1.01 0.00 0.00 42.92 41.36 2ww0 s ASP 642 CO 0.00 -0.86 1.49 -0.08 0.21 0.00 0.00 175.17 175.93 2ww0 h GLU 643 N 2.98 0.57 -5.55 8.23 4.22 -1.56 -3.44 114.58 120.04 2ww0 h GLU 643 Ca -0.51 -0.37 -0.27 0.00 0.08 0.00 0.00 59.36 58.30 2ww0 h GLU 643 Cb 1.24 0.05 0.18 0.00 0.50 0.00 0.00 28.75 30.72 2ww0 h GLU 643 CO 0.64 0.98 -0.86 -0.25 -2.18 0.00 0.00 179.01 177.34 2ww0 n ASP 644 N -3.95 -6.51 -3.80 1.04 8.00 -1.26 -2.00 116.55 108.07 2ww0 n ASP 644 Ca -0.03 -0.74 -0.30 0.00 0.71 0.00 0.00 54.79 54.43 2ww0 n ASP 644 Cb 0.61 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 2ww0 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww0 n ASN 645 N -3.14 -4.15 0.00 -2.24 4.13 -1.26 -2.18 115.26 106.42 2ww0 n ASN 645 Ca -0.07 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.48 2ww0 n ASN 645 Cb 0.61 -3.37 0.00 0.00 -1.54 0.00 0.00 39.78 35.49 2ww0 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 646 N -1.44 2.75 0.30 7.41 0.00 -1.24 -4.61 105.19 108.35 2ww0 n GLY 646 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww0 h GLN 647 N 1.38 -0.67 0.00 1.61 5.75 -1.45 0.74 115.11 122.47 2ww0 h GLN 647 Ca 0.00 0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2ww0 h GLN 647 Cb 0.00 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2ww0 h GLN 647 CO 0.00 -0.39 -0.22 1.15 -2.65 0.00 0.00 178.83 176.73 2ww0 h THR 648 N -0.86 1.13 0.09 2.39 2.02 -1.63 -1.35 112.91 114.70 2ww0 h THR 648 Ca -0.07 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 2ww0 h THR 648 Cb 0.60 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2ww0 h THR 648 CO 0.12 0.22 -0.04 0.28 0.37 0.00 0.00 175.52 176.46 2ww0 h SER 649 N 0.00 -0.10 -0.15 4.18 0.02 -1.67 -3.25 113.55 112.57 2ww0 h SER 649 Ca -0.00 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.51 2ww0 h SER 649 Cb 0.40 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2ww0 h SER 649 CO 0.03 0.50 0.12 0.00 -1.14 0.00 0.00 176.83 176.34 2ww0 h ALA 650 N -0.04 1.97 -0.45 3.77 0.00 0.62 -0.72 119.26 124.42 2ww0 h ALA 650 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ww0 h ALA 650 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2ww0 h ALA 650 CO 0.02 -0.20 0.23 2.35 0.00 0.00 0.00 179.25 181.65 2ww0 h TRP 651 N 0.00 0.42 -0.46 0.00 7.01 -1.29 0.59 115.95 122.23 2ww0 h TRP 651 Ca 0.07 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 2ww0 h TRP 651 Cb 0.32 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2ww0 h TRP 651 CO 0.00 0.22 0.13 -0.92 -2.79 0.00 0.00 178.44 175.08 2ww0 h TYR 652 N 0.46 0.75 0.25 2.65 5.03 -1.21 -0.27 116.97 124.63 2ww0 h TYR 652 Ca 0.19 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2ww0 h TYR 652 Cb 0.09 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 2ww0 h TYR 652 CO -0.10 0.68 -0.22 0.28 -1.32 0.00 0.00 178.16 177.48 2ww0 h VAL 653 N 0.61 0.52 0.34 1.81 2.07 -0.67 0.18 116.25 121.11 2ww0 h VAL 653 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2ww0 h VAL 653 Cb 0.29 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2ww0 h VAL 653 CO -0.00 0.00 -0.39 -0.26 0.02 0.00 0.00 177.57 176.94 2ww0 h PHE 654 N -0.49 -1.05 -0.84 1.57 0.04 -0.91 -2.70 116.94 112.55 2ww0 h PHE 654 Ca -0.01 0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2ww0 h PHE 654 Cb 0.45 0.42 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 2ww0 h PHE 654 CO -0.15 -0.53 0.55 0.77 -0.60 0.00 0.00 178.31 178.35 2ww0 h SER 655 N -0.76 0.66 0.15 2.17 0.02 -0.80 0.15 113.55 115.13 2ww0 h SER 655 Ca -0.02 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2ww0 h SER 655 Cb 0.70 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2ww0 h SER 655 CO -0.09 0.37 -0.34 0.00 -1.14 0.00 0.00 176.83 175.62 2ww0 h ALA 656 N 1.60 1.16 -0.16 3.77 0.00 -0.55 -2.58 119.26 122.50 2ww0 h ALA 656 Ca 0.40 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2ww0 h ALA 656 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ww0 h ALA 656 CO -0.17 0.55 -0.47 -0.07 0.00 0.00 0.00 179.25 179.10 2ww0 h LEU 657 N 0.25 0.42 0.00 0.00 3.38 -0.43 0.13 115.31 119.07 2ww0 h LEU 657 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ww0 h LEU 657 Cb 0.73 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ww0 h LEU 657 CO 0.06 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2ww0 n GLY 658 N 0.02 0.46 3.45 0.83 0.00 -0.53 -4.49 105.19 104.94 2ww0 n GLY 658 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww0 s PHE 659 N -1.38 0.00 -0.11 1.61 -0.12 -1.18 0.10 117.98 116.89 2ww0 s PHE 659 Ca 0.00 -0.35 -0.10 0.00 -0.05 0.00 0.00 56.93 56.43 2ww0 s PHE 659 Cb 0.00 0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.69 2ww0 s PHE 659 CO 0.00 -0.84 0.30 -0.47 -0.05 0.00 0.00 175.22 174.16 2ww0 s TYR 660 N -3.89 -0.34 -1.33 3.49 6.14 0.01 -3.80 117.35 117.62 2ww0 s TYR 660 Ca 0.10 0.82 -0.17 0.00 0.64 0.00 0.00 57.07 58.46 2ww0 s TYR 660 Cb 0.00 0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.55 2ww0 s TYR 660 CO -0.03 -0.17 1.90 -0.35 0.64 0.00 0.00 175.55 177.54 2ww0 n PRO 661 N 3.09 2.99 -0.32 4.97 -0.04 -1.26 0.07 135.00 144.50 2ww0 n PRO 661 Ca -0.14 -3.01 0.06 0.00 -0.04 0.00 0.00 63.50 60.36 2ww0 n PRO 661 Cb 0.57 -3.43 0.22 0.00 -0.04 0.00 0.00 33.50 30.82 2ww0 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww0 h VAL 662 N 5.10 0.84 -2.88 0.52 2.07 -1.87 -3.32 116.25 116.71 2ww0 h VAL 662 Ca 0.48 -0.27 -0.61 0.00 0.82 0.00 0.00 66.70 67.11 2ww0 h VAL 662 Cb 0.80 -0.02 -0.41 0.00 -1.52 0.00 0.00 31.29 30.14 2ww0 h VAL 662 CO 1.59 0.15 -0.71 0.00 0.02 0.00 0.00 177.57 178.62 2ww0 n PRO 664 N 2.44 1.95 0.00 0.00 -0.02 -1.25 -1.61 135.00 136.51 2ww0 n PRO 664 Ca 0.21 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2ww0 n PRO 664 Cb 0.39 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2ww0 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww0 n GLY 665 N 0.83 2.46 4.02 -1.23 0.00 -1.26 -4.85 105.19 105.16 2ww0 n GLY 665 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2ww0 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 666 N -2.46 2.35 -0.35 2.61 -4.23 -0.63 -4.92 115.64 108.01 2ww0 s THR 666 Ca 0.00 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 2ww0 s THR 666 Cb 0.00 -2.46 0.69 0.00 1.34 0.00 0.00 72.50 72.08 2ww0 s THR 666 CO 0.00 0.00 1.80 -0.90 -0.54 0.00 0.00 174.62 174.98 2ww0 n ASP 667 N -2.28 4.25 -4.47 3.99 5.75 -1.26 -4.96 116.55 117.57 2ww0 n ASP 667 Ca 0.13 -3.39 -0.33 0.00 -0.01 0.00 0.00 54.79 51.20 2ww0 n ASP 667 Cb 0.61 -0.76 -0.13 0.00 -1.03 0.00 0.00 41.12 39.81 2ww0 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww0 s GLU 668 N -3.11 2.99 -0.24 0.11 2.02 -1.26 -0.01 118.70 119.20 2ww0 s GLU 668 Ca 0.54 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.85 2ww0 s GLU 668 Cb 0.45 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.10 2ww0 s GLU 668 CO 0.11 0.45 -0.00 0.71 0.02 0.00 0.00 175.26 176.56 2ww0 s TYR 669 N -0.26 3.03 0.35 1.61 1.51 -0.28 -4.51 117.35 118.80 2ww0 s TYR 669 Ca 0.02 -0.95 -0.26 0.00 -1.01 0.00 0.00 57.07 54.88 2ww0 s TYR 669 Cb -0.13 -2.15 -0.09 0.00 -0.11 0.00 0.00 41.96 39.48 2ww0 s TYR 669 CO 0.03 -0.55 1.07 0.08 -1.11 0.00 0.00 175.55 175.07 2ww0 s VAL 670 N 1.48 3.62 -0.08 0.71 1.01 0.11 -1.17 120.40 126.09 2ww0 s VAL 670 Ca 0.04 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 2ww0 s VAL 670 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2ww0 s VAL 670 CO -0.01 0.15 0.84 -0.32 0.00 0.00 0.00 175.10 175.76 2ww0 s MET 671 N -2.08 4.43 0.00 2.72 1.75 0.85 -0.81 119.30 126.16 2ww0 s MET 671 Ca 0.53 1.11 0.00 0.00 -1.25 0.00 0.00 55.69 56.07 2ww0 s MET 671 Cb -0.26 -3.50 0.00 0.00 2.84 0.00 0.00 34.83 33.92 2ww0 s MET 671 CO 0.33 -0.11 0.00 0.41 -0.65 0.00 0.00 175.02 175.00 2ww0 n GLY 672 N 3.15 1.18 3.13 2.11 0.00 0.28 -4.92 105.19 110.13 2ww0 n GLY 672 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2ww0 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww0 s THR 673 N 2.87 -0.03 0.30 2.61 -1.32 -1.23 -4.75 115.64 114.09 2ww0 s THR 673 Ca 0.00 0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.30 2ww0 s THR 673 Cb 0.00 -0.45 -0.09 0.00 -1.51 0.00 0.00 72.50 70.45 2ww0 s THR 673 CO 0.00 0.04 1.02 -2.16 -2.21 0.00 0.00 174.62 171.32 2ww0 s PRO 674 N 1.07 4.59 0.10 7.08 0.04 -1.26 -4.28 135.00 142.35 2ww0 s PRO 674 Ca -0.08 1.59 0.18 0.00 0.04 0.00 0.00 61.00 62.73 2ww0 s PRO 674 Cb -0.08 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 2ww0 s PRO 674 CO -0.08 0.23 0.91 1.25 0.04 0.00 0.00 177.00 179.35 2ww0 h LEU 675 N 3.53 0.00 -9.83 -3.56 5.85 -0.95 -3.48 115.31 106.87 2ww0 h LEU 675 Ca -0.47 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.73 2ww0 h LEU 675 Cb 1.21 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2ww0 h LEU 675 CO 0.66 0.48 -0.55 -0.36 -0.34 0.00 0.00 178.44 178.33 2ww0 s PHE 676 N -3.00 2.95 0.12 1.25 0.08 -1.26 -4.90 117.98 113.22 2ww0 s PHE 676 Ca -0.02 -0.18 0.18 0.00 0.12 0.00 0.00 56.93 57.03 2ww0 s PHE 676 Cb 0.09 -1.42 0.58 0.00 -0.57 0.00 0.00 43.02 41.70 2ww0 s PHE 676 CO 0.80 0.49 1.69 0.87 -0.10 0.00 0.00 175.22 178.97 2ww0 h LYS 677 N 1.56 0.00 -2.75 0.44 1.57 -1.25 -3.40 116.57 112.74 2ww0 h LYS 677 Ca -0.47 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 2ww0 h LYS 677 Cb 1.24 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.30 2ww0 h LYS 677 CO 0.60 0.40 -0.30 0.21 -0.57 0.00 0.00 179.45 179.79 2ww0 s LYS 678 N -3.50 0.40 0.01 3.15 2.20 -0.94 -0.02 119.74 121.03 2ww0 s LYS 678 Ca 0.01 0.66 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 2ww0 s LYS 678 Cb 0.10 0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2ww0 s LYS 678 CO 0.69 -0.12 -0.13 0.00 -0.36 0.00 0.00 175.35 175.44 2ww0 s ALA 679 N 0.90 1.10 -0.08 3.13 0.00 -0.81 -0.50 121.76 125.49 2ww0 s ALA 679 Ca -0.06 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2ww0 s ALA 679 Cb -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2ww0 s ALA 679 CO -0.07 0.25 -0.17 0.99 0.00 0.00 0.00 175.76 176.75 2ww0 s THR 680 N -0.49 1.55 -0.12 0.00 2.01 0.59 0.24 115.64 119.43 2ww0 s THR 680 Ca 0.04 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 2ww0 s THR 680 Cb -0.06 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2ww0 s THR 680 CO 0.00 0.45 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.62 2ww0 s LEU 681 N 0.53 3.52 -0.33 4.42 1.43 0.95 -1.70 118.68 127.49 2ww0 s LEU 681 Ca -0.16 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2ww0 s LEU 681 Cb -0.17 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.28 2ww0 s LEU 681 CO 0.06 0.29 0.07 -1.00 0.23 0.00 0.00 176.35 175.99 2ww0 s HIS 682 N -0.33 3.30 0.50 0.29 3.76 -0.10 -0.67 115.29 122.04 2ww0 s HIS 682 Ca 0.07 -1.76 -0.08 0.00 -0.15 0.00 0.00 55.06 53.14 2ww0 s HIS 682 Cb -0.12 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 2ww0 s HIS 682 CO 0.02 -0.80 0.85 -0.06 -0.85 0.00 0.00 174.74 173.91 2ww0 s PHE 683 N 1.30 3.56 0.59 1.40 0.08 -0.66 -4.83 117.98 119.41 2ww0 s PHE 683 Ca -0.02 1.01 0.34 0.00 0.12 0.00 0.00 56.93 58.38 2ww0 s PHE 683 Cb -0.20 -2.46 1.94 0.00 -0.57 0.00 0.00 43.02 41.73 2ww0 s PHE 683 CO 0.00 -0.35 2.27 0.93 -0.10 0.00 0.00 175.22 177.96 2ww0 h GLU 684 N 0.33 0.00 0.00 0.44 5.08 -1.88 -1.68 114.58 116.87 2ww0 h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ww0 h GLU 684 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ww0 h GLU 684 CO 0.62 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.91 2ww0 n ASN 685 N -3.62 0.00 0.00 1.42 2.04 -1.26 -4.87 115.26 108.97 2ww0 n ASN 685 Ca -0.03 -1.02 0.00 0.00 -0.44 0.00 0.00 54.58 53.09 2ww0 n ASN 685 Cb 0.10 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 2ww0 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww0 n GLY 686 N 0.89 2.05 3.92 4.83 0.00 -0.63 -5.07 105.19 111.18 2ww0 n GLY 686 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2ww0 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 687 N -1.48 5.49 0.09 1.61 0.01 -1.26 -4.88 114.94 114.53 2ww0 s ASN 687 Ca 0.00 0.69 0.05 0.00 -0.71 0.00 0.00 52.86 52.88 2ww0 s ASN 687 Cb 0.00 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.99 2ww0 s ASN 687 CO 0.00 -1.13 -0.12 -0.44 -1.51 0.00 0.00 177.10 173.89 2ww0 s SER 688 N -4.33 1.66 -0.09 -1.22 0.01 -1.26 -1.66 113.70 106.82 2ww0 s SER 688 Ca 0.55 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2ww0 s SER 688 Cb -0.11 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.11 2ww0 s SER 688 CO 0.45 -0.16 -0.10 -0.22 0.41 0.00 0.00 173.24 173.62 2ww0 s LEU 689 N -2.18 1.44 -0.18 2.44 1.98 0.16 -1.16 118.68 121.19 2ww0 s LEU 689 Ca 0.03 -0.30 -0.07 0.00 -2.89 0.00 0.00 54.13 50.91 2ww0 s LEU 689 Cb -0.06 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.92 2ww0 s LEU 689 CO 0.02 -0.04 0.05 -0.69 -1.89 0.00 0.00 176.35 173.80 2ww0 s VAL 690 N 1.13 4.65 -0.41 1.68 1.01 -0.38 -0.03 120.40 128.04 2ww0 s VAL 690 Ca -0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2ww0 s VAL 690 Cb -0.14 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.24 2ww0 s VAL 690 CO -0.02 0.47 0.23 -0.63 0.00 0.00 0.00 175.10 175.16 2ww0 s ILE 691 N 0.32 3.85 -0.33 2.22 1.01 0.14 -0.19 121.20 128.21 2ww0 s ILE 691 Ca 0.02 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 2ww0 s ILE 691 Cb -0.13 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2ww0 s ILE 691 CO 0.01 -0.56 0.46 -1.81 0.00 0.00 0.00 174.94 173.04 2ww0 s ASP 692 N 2.04 6.28 -0.52 3.58 -0.00 0.43 -1.92 116.67 126.56 2ww0 s ASP 692 Ca 0.04 -0.02 0.07 0.00 -0.00 0.00 0.00 52.55 52.64 2ww0 s ASP 692 Cb -0.23 -2.24 0.31 0.00 -0.00 0.00 0.00 42.92 40.75 2ww0 s ASP 692 CO -0.00 -0.40 0.80 0.00 -0.00 0.00 0.00 175.17 175.56 2ww0 n ALA 693 N 5.60 3.64 0.08 5.23 0.00 0.97 -0.29 120.51 135.73 2ww0 n ALA 693 Ca -0.06 -4.26 0.20 0.00 0.00 0.00 0.00 53.44 49.32 2ww0 n ALA 693 Cb 0.49 -0.83 0.75 0.00 0.00 0.00 0.00 19.45 19.86 2ww0 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww0 h PRO 694 N 3.39 0.00 -0.66 0.00 0.13 -1.76 -0.77 132.00 132.32 2ww0 h PRO 694 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ww0 h PRO 694 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2ww0 h PRO 694 CO 0.70 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.76 2ww0 n ASN 695 N -3.93 4.55 -4.77 1.44 4.05 -1.26 -4.97 115.26 110.38 2ww0 n ASN 695 Ca 0.07 -2.39 -0.36 0.00 0.45 0.00 0.00 54.58 52.35 2ww0 n ASN 695 Cb 0.58 -0.56 0.00 0.00 1.23 0.00 0.00 39.78 41.03 2ww0 n ASN 695 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2ww0 s ASN 696 N -0.89 5.80 0.32 1.20 3.84 -0.30 -4.70 114.94 120.21 2ww0 s ASN 696 Ca 0.49 2.31 -0.15 0.00 0.21 0.00 0.00 52.86 55.73 2ww0 s ASN 696 Cb 0.31 -2.60 0.06 0.00 -0.55 0.00 0.00 41.25 38.47 2ww0 s ASN 696 CO 0.25 -1.17 0.78 -1.54 -2.79 0.00 0.00 177.10 172.63 2ww0 n SER 697 N -0.97 -1.99 0.10 -4.21 3.41 -1.24 -4.91 113.62 103.81 2ww0 n SER 697 Ca 0.10 -2.31 -0.00 0.00 -0.26 0.00 0.00 58.87 56.40 2ww0 n SER 697 Cb 0.49 3.31 0.30 0.00 -0.26 0.00 0.00 64.21 68.04 2ww0 n SER 697 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2ww0 h THR 698 N 1.91 1.25 0.16 6.66 2.02 -1.97 -3.19 112.91 119.75 2ww0 h THR 698 Ca -0.30 -1.19 -0.33 0.00 0.77 0.00 0.00 66.41 65.36 2ww0 h THR 698 Cb 1.13 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2ww0 h THR 698 CO 0.38 0.36 -1.64 -0.33 0.37 0.00 0.00 175.52 174.66 2ww0 h GLU 699 N 0.21 0.35 -4.26 6.66 3.07 -1.95 -3.42 114.58 115.24 2ww0 h GLU 699 Ca 0.03 -0.59 -0.75 0.00 -0.50 0.00 0.00 59.36 57.55 2ww0 h GLU 699 Cb 0.62 0.22 -0.18 0.00 -0.84 0.00 0.00 28.75 28.57 2ww0 h GLU 699 CO 0.04 1.24 1.49 0.09 -1.40 0.00 0.00 179.01 180.47 2ww0 n ASN 700 N -3.54 5.24 -0.50 1.42 5.03 -1.21 -4.36 115.26 117.35 2ww0 n ASN 700 Ca -0.21 -3.04 0.05 0.00 0.87 0.00 0.00 54.58 52.26 2ww0 n ASN 700 Cb 1.07 -1.52 0.10 0.00 -1.02 0.00 0.00 39.78 38.40 2ww0 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww0 n PHE 701 N 4.80 0.23 -3.49 3.10 1.16 -0.98 -3.71 117.46 118.57 2ww0 n PHE 701 Ca 0.37 -0.28 -0.37 0.00 -1.87 0.00 0.00 57.45 55.30 2ww0 n PHE 701 Cb 0.40 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.20 2ww0 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww0 s TYR 702 N -0.93 3.70 -0.30 2.97 2.02 -0.44 -4.70 117.35 119.67 2ww0 s TYR 702 Ca 0.17 0.98 -0.22 0.00 -0.37 0.00 0.00 57.07 57.63 2ww0 s TYR 702 Cb 0.10 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2ww0 s TYR 702 CO 0.14 0.61 0.69 0.42 -1.57 0.00 0.00 175.55 175.84 2ww0 s ILE 703 N -1.16 4.88 -0.12 2.71 1.01 -1.26 -0.27 121.20 127.00 2ww0 s ILE 703 Ca 0.26 1.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 2ww0 s ILE 703 Cb -0.16 -4.05 -0.26 0.00 0.01 0.00 0.00 42.46 37.99 2ww0 s ILE 703 CO 0.15 -0.17 0.47 -0.78 0.00 0.00 0.00 174.94 174.61 2ww0 h ASP 704 N 8.12 0.34 -5.18 3.58 3.58 -1.26 -3.41 116.42 122.20 2ww0 h ASP 704 Ca -0.26 -0.83 -0.07 0.00 0.42 0.00 0.00 57.03 56.29 2ww0 h ASP 704 Cb 1.11 -0.11 -0.12 0.00 1.72 0.00 0.00 39.33 41.93 2ww0 h ASP 704 CO 0.83 1.66 -0.21 -0.94 -2.88 0.00 0.00 179.24 177.70 2ww0 s SER 705 N -7.02 -0.05 -0.06 2.28 1.04 -1.23 -4.88 113.70 103.77 2ww0 s SER 705 Ca -0.22 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 2ww0 s SER 705 Cb 0.05 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2ww0 s SER 705 CO 0.75 -0.90 0.16 -0.32 0.98 0.00 0.00 173.24 173.91 2ww0 s MET 706 N -3.91 0.18 0.01 4.02 1.75 -1.26 -1.60 119.30 118.50 2ww0 s MET 706 Ca 0.11 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.81 2ww0 s MET 706 Cb 0.02 0.08 -0.01 0.00 2.84 0.00 0.00 34.83 37.76 2ww0 s MET 706 CO -0.04 -0.03 -0.08 -1.54 -0.65 0.00 0.00 175.02 172.68 2ww0 s SER 707 N 0.16 0.87 -0.31 1.11 1.04 -0.27 0.38 113.70 116.68 2ww0 s SER 707 Ca -0.01 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2ww0 s SER 707 Cb -0.02 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.12 2ww0 s SER 707 CO -0.00 0.01 0.01 0.12 0.98 0.00 0.00 173.24 174.35 2ww0 s PHE 708 N -0.50 3.51 -1.50 5.02 2.19 0.96 -0.23 117.98 127.43 2ww0 s PHE 708 Ca -0.00 -2.55 -0.13 0.00 0.33 0.00 0.00 56.93 54.58 2ww0 s PHE 708 Cb -0.05 -2.51 0.07 0.00 -1.31 0.00 0.00 43.02 39.23 2ww0 s PHE 708 CO 0.00 -0.91 1.03 0.09 1.83 0.00 0.00 175.22 177.26 2ww0 n ASN 709 N 4.40 -5.22 0.00 6.13 4.13 0.10 -2.16 115.26 122.65 2ww0 n ASN 709 Ca -0.05 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.49 2ww0 n ASN 709 Cb 0.42 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 2ww0 n ASN 709 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 710 N -1.76 2.88 3.77 7.41 0.00 -1.26 -5.02 105.19 111.20 2ww0 n GLY 710 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2ww0 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww0 s ALA 711 N -2.07 3.25 0.28 4.61 0.00 -0.92 -4.99 121.76 121.93 2ww0 s ALA 711 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 2ww0 s ALA 711 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2ww0 s ALA 711 CO 0.00 -0.41 1.19 0.34 0.00 0.00 0.00 175.76 176.88 2ww0 s ASP 712 N -1.05 7.07 -0.33 0.00 2.15 -1.26 -0.03 116.67 123.22 2ww0 s ASP 712 Ca 0.53 2.41 0.01 0.00 0.43 0.00 0.00 52.55 55.94 2ww0 s ASP 712 Cb -0.31 -2.63 0.10 0.00 -0.30 0.00 0.00 42.92 39.78 2ww0 s ASP 712 CO 0.39 -0.31 0.09 -2.28 -0.17 0.00 0.00 175.17 172.89 2ww0 s HIS 713 N -0.99 2.54 -1.53 -5.34 5.65 0.16 -4.79 115.29 111.00 2ww0 s HIS 713 Ca 0.47 -2.28 0.22 0.00 0.25 0.00 0.00 55.06 53.73 2ww0 s HIS 713 Cb -0.35 -2.21 -0.04 0.00 -1.18 0.00 0.00 32.58 28.80 2ww0 s HIS 713 CO 0.45 -0.90 1.05 0.25 -0.65 0.00 0.00 174.74 174.93 2ww0 n THR 714 N 4.54 0.00 -1.70 0.89 -2.24 -1.26 -4.14 114.28 110.36 2ww0 n THR 714 Ca 0.01 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2ww0 n THR 714 Cb 0.42 1.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.76 2ww0 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 715 N -2.73 2.56 -0.19 -0.78 1.02 -1.26 -3.71 119.74 114.66 2ww0 s LYS 715 Ca 0.14 1.71 0.10 0.00 0.02 0.00 0.00 55.97 57.94 2ww0 s LYS 715 Cb 0.17 -1.89 0.59 0.00 -0.52 0.00 0.00 37.83 36.19 2ww0 s LYS 715 CO 0.70 -1.50 1.43 0.09 -0.92 0.00 0.00 175.35 175.16 2ww0 n ASN 716 N -2.25 4.41 -3.67 2.83 5.03 -0.31 -4.92 115.26 116.38 2ww0 n ASN 716 Ca 0.13 -2.72 -0.10 0.00 0.87 0.00 0.00 54.58 52.76 2ww0 n ASN 716 Cb 0.50 -0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 38.57 2ww0 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww0 s TYR 717 N -2.30 -0.17 0.19 3.10 1.13 -1.26 -0.10 117.35 117.93 2ww0 s TYR 717 Ca 0.40 -0.15 0.11 0.00 -1.41 0.00 0.00 57.07 56.02 2ww0 s TYR 717 Cb 0.31 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 2ww0 s TYR 717 CO 0.11 -0.77 -0.24 -0.51 -2.51 0.00 0.00 175.55 171.63 2ww0 s LEU 718 N -2.83 2.43 -0.14 -3.49 1.43 -0.32 -4.93 118.68 110.84 2ww0 s LEU 718 Ca 0.05 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 2ww0 s LEU 718 Cb 0.01 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 2ww0 s LEU 718 CO -0.09 0.13 0.00 -0.13 0.23 0.00 0.00 176.35 176.49 2ww0 s ARG 719 N -2.62 3.57 0.21 1.70 0.52 -1.26 -1.13 118.95 119.95 2ww0 s ARG 719 Ca 0.20 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.78 2ww0 s ARG 719 Cb -0.08 -2.96 0.19 0.00 0.52 0.00 0.00 34.95 32.61 2ww0 s ARG 719 CO 0.10 0.38 1.51 1.58 0.02 0.00 0.00 175.30 178.89 2ww0 n HIS 720 N 3.14 -0.04 0.04 -0.53 -0.00 0.99 -0.60 115.22 118.21 2ww0 n HIS 720 Ca -0.17 1.21 0.02 0.00 -0.00 0.00 0.00 57.72 58.77 2ww0 n HIS 720 Cb 0.53 -0.82 0.36 0.00 -0.00 0.00 0.00 29.99 30.06 2ww0 n HIS 720 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2ww0 h GLU 721 N 0.00 0.44 -0.15 1.57 3.07 -1.96 -1.59 114.58 115.97 2ww0 h GLU 721 Ca 0.31 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 2ww0 h GLU 721 Cb 0.55 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2ww0 h GLU 721 CO -0.96 0.44 -0.08 -0.44 -1.40 0.00 0.00 179.01 176.58 2ww0 h ASP 722 N 0.43 0.32 -0.04 1.42 3.32 -1.25 -2.75 116.42 117.87 2ww0 h ASP 722 Ca 0.10 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.75 2ww0 h ASP 722 Cb 0.23 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2ww0 h ASP 722 CO 0.00 0.67 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.02 2ww0 h LEU 723 N -0.03 -0.30 -2.19 1.55 3.38 -0.79 -2.36 115.31 114.57 2ww0 h LEU 723 Ca 0.03 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2ww0 h LEU 723 Cb 0.55 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ww0 h LEU 723 CO 0.02 -0.14 0.23 -0.26 0.09 0.00 0.00 178.44 178.38 2ww0 h PHE 724 N -0.16 0.00 0.00 1.13 -1.00 -1.28 0.52 116.94 116.15 2ww0 h PHE 724 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2ww0 h PHE 724 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2ww0 h PHE 724 CO -0.18 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.39 2ww0 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.11 -3.44 116.57 115.10 2ww0 h LYS 725 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2ww0 h LYS 725 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2ww0 h LYS 725 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ww0 n GLY 726 N 0.10 -1.37 0.00 3.86 0.00 0.18 -4.85 105.19 103.11 2ww0 n GLY 726 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2ww0 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 727 N 0.00 0.40 3.07 -0.02 0.00 -0.31 -4.93 105.19 103.41 2ww0 n GLY 727 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 2ww0 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww0 s THR 728 N 0.00 1.04 -0.15 2.61 2.01 -1.26 -1.25 115.64 118.64 2ww0 s THR 728 Ca 0.00 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 2ww0 s THR 728 Cb 0.00 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2ww0 s THR 728 CO 0.00 0.30 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.47 2ww0 s ILE 729 N -0.06 2.90 -0.15 1.82 1.01 0.73 0.01 121.20 127.46 2ww0 s ILE 729 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2ww0 s ILE 729 Cb -0.08 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2ww0 s ILE 729 CO 0.00 0.51 0.02 -0.54 0.00 0.00 0.00 174.94 174.93 2ww0 s LYS 730 N 0.67 3.67 -0.21 2.79 1.02 0.68 -0.42 119.74 127.94 2ww0 s LYS 730 Ca -0.07 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2ww0 s LYS 730 Cb -0.15 -3.02 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2ww0 s LYS 730 CO 0.02 0.36 -0.07 0.08 -0.92 0.00 0.00 175.35 174.83 2ww0 s VAL 731 N 0.09 1.44 -0.47 3.17 1.01 0.60 -1.12 120.40 125.12 2ww0 s VAL 731 Ca 0.03 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2ww0 s VAL 731 Cb -0.13 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2ww0 s VAL 731 CO 0.02 0.03 0.84 -0.62 0.00 0.00 0.00 175.10 175.37 2ww0 s ASP 732 N 1.46 6.42 0.31 3.32 2.15 -0.63 -4.28 116.67 125.41 2ww0 s ASP 732 Ca -0.03 -0.12 -0.15 0.00 0.43 0.00 0.00 52.55 52.68 2ww0 s ASP 732 Cb -0.17 -2.41 -0.09 0.00 -0.30 0.00 0.00 42.92 39.95 2ww0 s ASP 732 CO -0.07 -1.00 0.73 -0.04 -0.17 0.00 0.00 175.17 174.61 2ww0 s MET 733 N 3.50 4.02 0.16 4.34 -1.94 -1.26 -0.76 119.30 127.37 2ww0 s MET 733 Ca 0.31 0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 54.93 2ww0 s MET 733 Cb -0.12 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 2ww0 s MET 733 CO 0.23 0.19 0.17 0.45 -0.01 0.00 0.00 175.02 176.05 2ww0 s SER 734 N -2.20 0.17 0.00 3.03 0.15 0.63 -4.82 113.70 110.66 2ww0 s SER 734 Ca 0.53 -1.11 0.23 0.00 0.70 0.00 0.00 55.95 56.29 2ww0 s SER 734 Cb -0.11 0.37 0.41 0.00 -1.71 0.00 0.00 66.02 64.98 2ww0 s SER 734 CO 0.18 -0.83 1.38 -0.46 1.20 0.00 0.00 173.24 174.71 2ww0 n ASN 735 N -0.18 3.42 -4.25 5.45 6.94 -1.26 -1.33 115.26 124.05 2ww0 n ASN 735 Ca -0.05 -1.98 -0.27 0.00 -0.02 0.00 0.00 54.58 52.26 2ww0 n ASN 735 Cb 0.64 -0.24 -0.15 0.00 -2.36 0.00 0.00 39.78 37.67 2ww0 n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ww0 s ARG 736 N -1.46 1.61 0.51 -3.83 1.81 -1.26 -4.94 118.95 111.39 2ww0 s ARG 736 Ca 0.37 -0.87 -0.21 0.00 -1.72 0.00 0.00 55.73 53.31 2ww0 s ARG 736 Cb 0.22 -1.64 -0.06 0.00 -0.45 0.00 0.00 34.95 33.02 2ww0 s ARG 736 CO 0.31 0.44 1.14 -1.25 -0.68 0.00 0.00 175.30 175.26 2ww0 s PRO 737 N -0.83 3.50 -0.43 3.54 0.04 -1.26 -4.81 135.00 134.75 2ww0 s PRO 737 Ca 0.08 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2ww0 s PRO 737 Cb -0.09 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.37 2ww0 s PRO 737 CO 0.00 -0.74 0.29 1.21 0.04 0.00 0.00 177.00 177.81 2ww0 s ASN 738 N -1.62 5.79 0.00 6.66 3.84 -1.26 -4.96 114.94 123.40 2ww0 s ASN 738 Ca 0.69 -1.40 0.15 0.00 0.21 0.00 0.00 52.86 52.51 2ww0 s ASN 738 Cb -0.26 -2.05 0.74 0.00 -0.55 0.00 0.00 41.25 39.14 2ww0 s ASN 738 CO 0.30 -0.55 1.40 0.18 -2.79 0.00 0.00 177.10 175.64 2ww0 n LEU 739 N 5.01 0.00 -0.00 3.21 4.32 -1.26 -3.22 117.00 125.05 2ww0 n LEU 739 Ca -0.11 0.29 0.06 0.00 -0.02 0.00 0.00 56.01 56.22 2ww0 n LEU 739 Cb 0.43 -0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 41.87 2ww0 n LEU 739 CO 0.41 -0.15 -0.40 0.59 -1.22 0.00 0.00 177.39 176.63 2ww0 n ASN 740 N -1.29 1.61 -4.73 -1.43 3.02 -1.26 -4.90 115.26 106.29 2ww0 n ASN 740 Ca 0.07 -0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.91 2ww0 n ASN 740 Cb 0.12 1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 40.57 2ww0 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww0 s ARG 741 N -2.53 4.55 -0.61 3.52 3.52 -1.20 -4.08 118.95 122.13 2ww0 s ARG 741 Ca -0.01 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 2ww0 s ARG 741 Cb 0.08 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 2ww0 s ARG 741 CO 0.48 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 2ww0 n GLY 742 N 2.58 0.36 0.01 8.12 0.00 -1.24 -4.72 105.19 110.28 2ww0 n GLY 742 Ca 0.01 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.47 2ww0 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww0 n THR 743 N -3.61 0.00 -1.82 2.61 -2.24 -1.26 -4.54 114.28 103.41 2ww0 n THR 743 Ca -0.07 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 2ww0 n THR 743 Cb 0.45 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 2ww0 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 744 N -3.29 3.09 0.31 -0.78 1.02 -1.26 -4.84 119.74 113.98 2ww0 s LYS 744 Ca -0.06 2.16 -0.00 0.00 0.02 0.00 0.00 55.97 58.09 2ww0 s LYS 744 Cb 0.12 -2.19 0.48 0.00 -0.52 0.00 0.00 37.83 35.72 2ww0 s LYS 744 CO 0.79 -1.21 1.92 1.49 -0.92 0.00 0.00 175.35 177.42 2ww0 h GLU 745 N 1.34 0.89 0.00 1.68 4.22 -1.99 -1.09 114.58 119.63 2ww0 h GLU 745 Ca -0.51 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.82 2ww0 h GLU 745 Cb 1.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ww0 h GLU 745 CO 0.57 0.68 0.00 -0.85 -2.18 0.00 0.00 179.01 177.23 2ww0 n GLU 746 N -4.36 0.57 0.03 1.92 0.00 -1.26 -1.91 120.64 115.64 2ww0 n GLU 746 Ca 0.06 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.38 2ww0 n GLU 746 Cb 0.12 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.42 2ww0 n GLU 746 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ww0 n ASP 747 N -1.13 0.46 -4.78 -1.84 8.00 -0.41 -4.90 116.55 111.95 2ww0 n ASP 747 Ca 0.15 0.17 -0.36 0.00 0.71 0.00 0.00 54.79 55.47 2ww0 n ASP 747 Cb 0.13 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2ww0 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww0 s MET 748 N -3.06 3.86 0.99 -1.24 -1.94 -0.80 -1.16 119.30 115.95 2ww0 s MET 748 Ca 0.11 1.56 -0.16 0.00 -1.71 0.00 0.00 55.69 55.48 2ww0 s MET 748 Cb 0.16 -2.32 0.20 0.00 2.01 0.00 0.00 34.83 34.88 2ww0 s MET 748 CO 0.64 -0.42 1.24 -2.14 -0.01 0.00 0.00 175.02 174.34 2ww0 s PRO 749 N -2.84 0.42 0.32 2.03 0.02 -1.26 -4.88 135.00 128.81 2ww0 s PRO 749 Ca 0.64 -0.21 -0.29 0.00 0.02 0.00 0.00 61.00 61.16 2ww0 s PRO 749 Cb -0.22 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 2ww0 s PRO 749 CO 0.27 -2.59 1.56 0.98 -0.33 0.00 0.00 177.00 176.89 2ww0 n TYR 750 N -3.94 2.87 -4.03 6.54 9.36 -1.26 -5.02 117.16 121.68 2ww0 n TYR 750 Ca 0.13 0.32 -0.16 0.00 3.32 0.00 0.00 57.90 61.51 2ww0 n TYR 750 Cb 0.60 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.58 2ww0 n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ww0 s SER 751 N 0.30 0.45 0.25 2.98 0.01 -1.26 -4.67 113.70 111.76 2ww0 s SER 751 Ca 0.61 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.77 2ww0 s SER 751 Cb -0.49 -0.14 0.35 0.00 0.21 0.00 0.00 66.02 65.95 2ww0 s SER 751 CO 0.53 -0.01 1.86 0.15 0.41 0.00 0.00 173.24 176.18 2ww0 h PHE 752 N 6.56 1.05 -0.98 2.43 3.57 -0.74 -1.56 116.94 127.28 2ww0 h PHE 752 Ca -0.33 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.32 2ww0 h PHE 752 Cb 1.17 -0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 2ww0 h PHE 752 CO 0.45 0.54 0.62 0.77 -2.23 0.00 0.00 178.31 178.46 2ww0 h SER 753 N 1.04 0.88 -0.12 0.41 0.02 -1.91 -2.39 113.55 111.47 2ww0 h SER 753 Ca 0.39 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.24 2ww0 h SER 753 Cb 0.16 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2ww0 h SER 753 CO -0.17 0.47 -0.51 0.11 -1.14 0.00 0.00 176.83 175.59 2ww0 h LYS 754 N 0.94 0.55 -0.94 3.45 1.57 -1.71 -3.14 116.57 117.31 2ww0 h LYS 754 Ca 0.48 -0.44 0.14 0.00 -1.87 0.00 0.00 60.65 58.97 2ww0 h LYS 754 Cb 0.51 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.76 2ww0 h LYS 754 CO -0.25 1.06 -0.40 1.49 -0.57 0.00 0.00 179.45 180.79 2ww0 h GLU 755 N 0.17 -0.03 -0.20 3.15 4.81 -0.92 -1.26 114.58 120.30 2ww0 h GLU 755 Ca -0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2ww0 h GLU 755 Cb 1.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2ww0 h GLU 755 CO 0.11 -0.02 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.94 2ww0 h LEU 756 N -0.03 0.45 0.00 1.64 3.38 -1.59 -3.52 115.31 115.65 2ww0 h LEU 756 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ww0 h LEU 756 Cb 0.58 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ww0 h LEU 756 CO -0.94 0.77 0.00 -0.62 0.09 0.00 0.00 178.44 177.74