#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 3.78 0.18 3.14 2.15 -1.26 -4.98 116.67 119.68 2ww0 s ASP 21 Ca 0.00 -1.05 0.25 0.00 0.43 0.00 0.00 52.55 52.18 2ww0 s ASP 21 Cb 0.00 -1.42 0.57 0.00 -0.30 0.00 0.00 42.92 41.76 2ww0 s ASP 21 CO 0.00 -0.13 1.56 -0.50 -0.17 0.00 0.00 175.17 175.92 2ww0 h TRP 22 N 7.88 0.00 0.00 -5.34 6.55 -1.96 -3.32 115.95 119.76 2ww0 h TRP 22 Ca -0.28 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.53 2ww0 h TRP 22 Cb 1.08 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.38 2ww0 h TRP 22 CO 0.55 0.00 -0.11 1.79 -1.05 0.00 0.00 178.44 179.62 2ww0 h THR 23 N 0.00 0.86 -0.04 1.49 1.35 -1.93 -0.83 112.91 113.81 2ww0 h THR 23 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2ww0 h THR 23 Cb 0.76 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2ww0 h THR 23 CO 0.00 0.11 0.09 0.06 -0.25 0.00 0.00 175.52 175.53 2ww0 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 -0.55 115.11 120.33 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2ww0 h GLN 24 CO 0.01 0.00 -0.66 0.66 0.09 0.00 0.00 178.83 178.93 2ww0 n TYR 25 N -3.37 0.39 -2.75 0.06 4.01 -0.32 -4.88 117.16 110.30 2ww0 n TYR 25 Ca -0.02 0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 2ww0 n TYR 25 Cb 0.17 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 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 -3.14 4.75 -0.42 -0.72 1.01 -0.22 -4.22 120.40 117.45 2ww0 s VAL 26 Ca 0.07 1.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 2ww0 s VAL 26 Cb 0.14 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.39 2ww0 s VAL 26 CO 0.73 -0.11 0.24 0.21 0.00 0.00 0.00 175.10 176.17 2ww0 s ASN 27 N 1.23 5.44 0.15 3.32 2.47 -1.26 -4.84 114.94 121.45 2ww0 s ASN 27 Ca 0.41 -1.82 0.19 0.00 0.42 0.00 0.00 52.86 52.06 2ww0 s ASN 27 Cb -0.16 -1.91 0.80 0.00 -1.45 0.00 0.00 41.25 38.54 2ww0 s ASN 27 CO 0.08 -0.56 1.57 -2.65 -3.72 0.00 0.00 177.10 171.82 2ww0 n PRO 28 N 4.76 0.11 0.06 0.43 -0.02 -1.26 -1.75 135.00 137.32 2ww0 n PRO 28 Ca -0.06 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2ww0 n PRO 28 Cb 0.42 -1.71 0.49 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.92 0.50 -4.66 2.45 4.77 -1.26 -3.71 117.00 113.17 2ww0 n LEU 29 Ca 0.02 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.13 2ww0 n LEU 29 Cb 0.18 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2ww0 n LEU 29 CO 0.15 -0.11 1.45 -0.32 -1.33 0.00 0.00 177.39 177.23 2ww0 s MET 30 N -3.06 4.17 0.00 3.23 1.75 -0.72 -1.04 119.30 123.63 2ww0 s MET 30 Ca 0.12 2.34 0.00 0.00 -1.25 0.00 0.00 55.69 56.90 2ww0 s MET 30 Cb 0.15 -4.04 0.00 0.00 2.84 0.00 0.00 34.83 33.78 2ww0 s MET 30 CO 0.57 -0.88 0.00 0.41 -0.65 0.00 0.00 175.02 174.47 2ww0 n GLY 31 N 4.27 0.60 0.03 2.11 0.00 0.12 -4.78 105.19 107.54 2ww0 n GLY 31 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.50 -3.48 1.61 3.41 -0.21 -1.42 113.62 114.04 2ww0 n SER 32 Ca 0.00 0.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 2ww0 n SER 32 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.77 4.75 -4.37 4.33 7.27 -0.67 -0.96 117.38 125.97 2ww0 n GLN 33 Ca 0.05 -3.78 -0.27 0.00 0.07 0.00 0.00 57.00 53.07 2ww0 n GLN 33 Cb 0.38 -2.56 -0.11 0.00 2.41 0.00 0.00 30.24 30.36 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 -0.16 3.77 0.31 1.69 0.01 -1.26 -4.44 113.70 113.61 2ww0 s SER 34 Ca 0.50 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 57.03 2ww0 s SER 34 Cb 0.20 -0.44 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 2ww0 s SER 34 CO -0.12 0.11 0.06 0.42 0.41 0.00 0.00 173.24 174.12 2ww0 s THR 35 N -1.73 1.10 0.34 1.44 -4.23 -0.42 -4.94 115.64 107.20 2ww0 s THR 35 Ca 0.23 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 2ww0 s THR 35 Cb -0.08 -2.74 0.32 0.00 1.34 0.00 0.00 72.50 71.34 2ww0 s THR 35 CO 0.12 -0.03 1.86 0.15 -0.54 0.00 0.00 174.62 176.19 2ww0 h PHE 36 N 2.18 0.87 0.00 3.99 3.57 -2.02 -2.88 116.94 122.65 2ww0 h PHE 36 Ca -0.40 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 60.89 2ww0 h PHE 36 Cb 1.24 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2ww0 h PHE 36 CO 0.56 0.32 -1.22 0.93 -2.23 0.00 0.00 178.31 176.67 2ww0 h GLU 37 N 0.74 0.00 -3.19 1.11 3.07 -1.96 -3.40 114.58 110.94 2ww0 h GLU 37 Ca 0.45 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.94 2ww0 h GLU 37 Cb 0.68 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.20 2ww0 h GLU 37 CO -0.22 0.79 -0.72 -1.17 -1.40 0.00 0.00 179.01 176.29 2ww0 s LEU 38 N -6.47 0.15 -0.02 1.33 2.96 -1.09 -4.13 118.68 111.42 2ww0 s LEU 38 Ca -0.01 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.64 2ww0 s LEU 38 Cb 0.09 -0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.64 2ww0 s LEU 38 CO 0.82 -0.28 0.59 -0.55 -1.32 0.00 0.00 176.35 175.61 2ww0 s SER 39 N 2.19 6.94 -0.21 3.68 0.15 -1.24 -1.30 113.70 123.91 2ww0 s SER 39 Ca 0.04 1.13 0.14 0.00 0.70 0.00 0.00 55.95 57.96 2ww0 s SER 39 Cb -0.13 -2.36 0.48 0.00 -1.71 0.00 0.00 66.02 62.31 2ww0 s SER 39 CO -0.05 0.08 1.39 0.35 1.20 0.00 0.00 173.24 176.21 2ww0 n THR 40 N 2.88 2.32 0.00 6.45 -2.24 -1.26 -3.53 114.28 118.90 2ww0 n THR 40 Ca -0.07 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 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 -0.88 3.81 3.63 3.38 0.00 -1.13 -1.17 105.19 112.84 2ww0 n GLY 41 Ca 0.25 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.90 -4.74 1.61 3.02 -0.84 -1.42 115.26 110.98 2ww0 n ASN 42 Ca 0.00 -0.74 -0.24 0.00 -0.03 0.00 0.00 54.58 53.56 2ww0 n ASN 42 Cb 0.00 -4.41 -0.07 0.00 -0.61 0.00 0.00 39.78 34.69 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 -3.54 2.49 0.28 3.41 -4.23 -0.51 -4.59 115.64 108.95 2ww0 s THR 43 Ca 0.07 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2ww0 s THR 43 Cb -0.04 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 2ww0 s THR 43 CO 0.79 -0.05 -0.01 -0.72 -0.54 0.00 0.00 174.62 174.08 2ww0 s TYR 44 N -2.55 1.88 -0.77 3.99 1.13 -1.26 -4.06 117.35 115.70 2ww0 s TYR 44 Ca 0.40 -0.82 -0.26 0.00 -1.41 0.00 0.00 57.07 54.99 2ww0 s TYR 44 Cb 0.02 -1.13 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 2ww0 s TYR 44 CO 0.23 0.14 1.73 -2.14 -2.51 0.00 0.00 175.55 173.00 2ww0 s PRO 45 N -3.80 2.83 -0.78 -3.49 0.02 -1.24 -4.91 135.00 123.62 2ww0 s PRO 45 Ca 0.31 -0.03 -0.26 0.00 0.02 0.00 0.00 61.00 61.04 2ww0 s PRO 45 Cb 0.06 -4.68 0.02 0.00 0.02 0.00 0.00 34.50 29.92 2ww0 s PRO 45 CO 0.12 -2.76 1.43 0.00 -0.33 0.00 0.00 177.00 175.47 2ww0 s ALA 46 N 8.27 2.60 -0.55 -1.55 0.00 -1.26 -4.43 121.76 124.84 2ww0 s ALA 46 Ca 0.60 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 2ww0 s ALA 46 Cb -0.08 -4.33 0.04 0.00 0.00 0.00 0.00 23.12 18.74 2ww0 s ALA 46 CO 0.09 -3.52 0.97 0.42 0.00 0.00 0.00 175.76 173.72 2ww0 s ILE 47 N 6.32 4.35 0.25 0.00 -1.09 -0.28 -4.79 121.20 125.96 2ww0 s ILE 47 Ca 0.44 0.35 -0.22 0.00 -2.23 0.00 0.00 60.65 58.99 2ww0 s ILE 47 Cb -0.07 -4.56 0.03 0.00 -1.58 0.00 0.00 42.46 36.28 2ww0 s ILE 47 CO 0.10 -1.14 0.74 0.00 -1.23 0.00 0.00 174.94 173.42 2ww0 s ALA 48 N 4.06 -1.32 0.62 9.38 0.00 -0.58 -2.04 121.76 131.88 2ww0 s ALA 48 Ca 0.32 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 2ww0 s ALA 48 Cb -0.12 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2ww0 s ALA 48 CO 0.20 -1.01 1.01 1.03 0.00 0.00 0.00 175.76 176.98 2ww0 s ARG 49 N -3.81 3.31 0.04 0.00 1.81 -1.26 -4.53 118.95 114.50 2ww0 s ARG 49 Ca 0.10 0.52 -0.35 0.00 -1.72 0.00 0.00 55.73 54.28 2ww0 s ARG 49 Cb -0.05 -2.12 -0.14 0.00 -0.45 0.00 0.00 34.95 32.19 2ww0 s ARG 49 CO 0.04 -0.67 1.62 -2.30 -0.68 0.00 0.00 175.30 173.31 2ww0 n PRO 50 N -2.75 1.83 -2.10 3.54 -0.02 -1.26 -1.33 135.00 132.92 2ww0 n PRO 50 Ca 0.05 0.67 -0.18 0.00 -2.02 0.00 0.00 63.50 62.02 2ww0 n PRO 50 Cb 0.55 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.23 -0.81 -1.72 6.00 8.01 -0.07 -4.91 117.44 128.17 2ww0 n TRP 51 Ca 0.20 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.99 2ww0 n TRP 51 Cb 0.25 -3.36 0.03 0.00 -2.01 0.00 0.00 31.31 26.22 2ww0 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww0 n GLY 52 N -0.72 0.66 0.26 6.99 0.00 -0.45 -1.11 105.19 110.82 2ww0 n GLY 52 Ca -0.20 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2ww0 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww0 h MET 53 N 1.80 0.70 -5.11 1.61 4.05 -1.46 -3.38 114.93 113.14 2ww0 h MET 53 Ca -0.50 -0.25 -0.65 0.00 -0.28 0.00 0.00 59.70 58.02 2ww0 h MET 53 Cb 1.30 -0.05 -0.34 0.00 -0.80 0.00 0.00 31.60 31.71 2ww0 h MET 53 CO 0.58 0.83 -0.86 -0.80 0.23 0.00 0.00 176.91 176.89 2ww0 s ASN 54 N -6.74 2.92 0.08 1.39 0.01 -1.01 -4.88 114.94 106.70 2ww0 s ASN 54 Ca -0.09 -0.55 -0.00 0.00 -0.71 0.00 0.00 52.86 51.51 2ww0 s ASN 54 Cb 0.14 -1.34 -0.04 0.00 0.41 0.00 0.00 41.25 40.41 2ww0 s ASN 54 CO 0.82 0.08 0.23 -0.36 -1.51 0.00 0.00 177.10 176.36 2ww0 s PHE 55 N 0.74 3.51 -0.02 2.20 0.08 -0.98 -4.78 117.98 118.74 2ww0 s PHE 55 Ca -0.10 0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.28 2ww0 s PHE 55 Cb -0.16 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2ww0 s PHE 55 CO 0.01 0.57 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.90 2ww0 s TRP 56 N -1.55 1.90 -0.02 0.36 0.52 -0.87 -0.83 118.94 118.46 2ww0 s TRP 56 Ca 0.35 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 56.01 2ww0 s TRP 56 Cb -0.13 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2ww0 s TRP 56 CO 0.28 -0.04 0.20 -0.08 0.02 0.00 0.00 176.95 177.33 2ww0 s THR 57 N -0.48 0.06 0.43 2.01 -1.32 -0.48 -1.12 115.64 114.73 2ww0 s THR 57 Ca 0.08 -0.49 -0.25 0.00 -1.21 0.00 0.00 61.69 59.82 2ww0 s THR 57 Cb -0.08 -0.46 -0.08 0.00 -1.51 0.00 0.00 72.50 70.37 2ww0 s THR 57 CO -0.01 -0.27 1.36 -2.16 -2.21 0.00 0.00 174.62 171.34 2ww0 s PRO 58 N -1.05 3.80 -0.27 7.08 0.04 -1.26 -0.98 135.00 142.35 2ww0 s PRO 58 Ca -0.11 2.28 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 2ww0 s PRO 58 Cb -0.06 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 31.83 2ww0 s PRO 58 CO 0.02 -0.68 -0.02 -1.14 0.04 0.00 0.00 177.00 175.22 2ww0 s GLN 59 N -2.38 2.75 -0.22 4.56 0.74 0.41 -4.61 119.66 120.91 2ww0 s GLN 59 Ca 0.59 -1.05 0.11 0.00 0.05 0.00 0.00 55.36 55.06 2ww0 s GLN 59 Cb -0.41 -3.10 -0.22 0.00 1.10 0.00 0.00 33.01 30.38 2ww0 s GLN 59 CO 0.52 -0.47 -0.02 0.25 -0.55 0.00 0.00 175.29 175.02 2ww0 n THR 60 N 4.69 1.45 -1.41 -0.34 -2.24 0.82 -0.79 114.28 116.46 2ww0 n THR 60 Ca -0.15 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.58 2ww0 n THR 60 Cb 0.46 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -5.89 1.86 0.60 3.38 0.00 0.12 -4.70 107.32 102.68 2ww0 s GLY 61 Ca -0.20 0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 2ww0 s GLY 61 CO 0.74 0.74 1.08 0.54 0.00 0.00 0.00 173.10 176.20 2ww0 s LYS 62 N -4.59 3.20 0.04 2.90 1.02 -1.26 -4.91 119.74 116.14 2ww0 s LYS 62 Ca 0.64 1.32 -0.37 0.00 0.02 0.00 0.00 55.97 57.57 2ww0 s LYS 62 Cb -0.19 -2.01 -0.17 0.00 -0.52 0.00 0.00 37.83 34.95 2ww0 s LYS 62 CO 0.51 -0.92 1.39 -0.12 -0.92 0.00 0.00 175.35 175.29 2ww0 n MET 63 N -1.98 1.13 0.00 1.68 0.00 -1.26 -1.93 117.12 114.76 2ww0 n MET 63 Ca 0.10 0.41 0.00 0.00 -0.00 0.00 0.00 57.70 58.20 2ww0 n MET 63 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.69 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 2.71 2.23 3.68 -5.12 0.00 -1.26 -5.04 105.19 102.39 2ww0 n GLY 64 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.49 7.17 0.48 1.61 -1.08 -0.81 -4.93 116.67 117.62 2ww0 s ASP 65 Ca 0.00 1.52 0.23 0.00 -0.52 0.00 0.00 52.55 53.78 2ww0 s ASP 65 Cb 0.00 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.18 2ww0 s ASP 65 CO 0.00 -0.54 1.91 1.23 0.52 0.00 0.00 175.17 178.29 2ww0 h GLY 66 N 8.52 0.39 -7.66 2.66 0.00 -1.90 -3.18 103.07 101.90 2ww0 h GLY 66 Ca -0.28 -0.09 -0.72 0.00 0.00 0.00 0.00 47.33 46.25 2ww0 h GLY 66 CO 0.90 0.01 1.37 -0.98 0.00 0.00 0.00 176.54 177.84 2ww0 s TRP 67 N -5.20 3.31 -0.23 5.60 0.51 -1.26 -4.38 118.94 117.29 2ww0 s TRP 67 Ca -0.06 -1.90 0.18 0.00 -2.12 0.00 0.00 56.10 52.19 2ww0 s TRP 67 Cb 0.21 -4.38 0.11 0.00 -0.81 0.00 0.00 33.47 28.60 2ww0 s TRP 67 CO 0.77 -1.48 1.39 -0.56 -0.51 0.00 0.00 176.95 176.56 2ww0 h GLN 68 N 7.59 0.00 -3.47 4.98 3.07 -1.92 -3.34 115.11 122.02 2ww0 h GLN 68 Ca 0.30 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.69 2ww0 h GLN 68 Cb 0.90 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.10 2ww0 h GLN 68 CO 1.25 0.32 -0.74 -0.47 0.09 0.00 0.00 178.83 179.28 2ww0 s TYR 69 N -3.05 0.16 -0.03 0.06 5.04 -1.26 0.12 117.35 118.40 2ww0 s TYR 69 Ca 0.04 0.14 0.05 0.00 -2.44 0.00 0.00 57.07 54.85 2ww0 s TYR 69 Cb 0.07 -0.44 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 2ww0 s TYR 69 CO 0.74 -0.17 -0.17 0.95 -1.34 0.00 0.00 175.55 175.56 2ww0 s THR 70 N 1.69 1.37 0.47 4.34 -4.23 -1.26 -4.78 115.64 113.25 2ww0 s THR 70 Ca -0.01 -0.71 0.18 0.00 -1.18 0.00 0.00 61.69 59.97 2ww0 s THR 70 Cb -0.13 -1.16 0.35 0.00 1.34 0.00 0.00 72.50 72.90 2ww0 s THR 70 CO -0.03 0.39 1.99 0.22 -0.54 0.00 0.00 174.62 176.66 2ww0 h TYR 71 N 6.02 0.25 -0.15 3.99 5.03 -1.41 -1.08 116.97 129.61 2ww0 h TYR 71 Ca -0.34 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.97 2ww0 h TYR 71 Cb 1.16 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.36 2ww0 h TYR 71 CO 0.42 0.11 0.00 0.25 -1.32 0.00 0.00 178.16 177.62 2ww0 n THR 72 N -4.45 0.19 -2.55 1.81 -2.24 -1.26 -4.90 114.28 100.88 2ww0 n THR 72 Ca 0.09 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 2ww0 n THR 72 Cb 0.44 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.81 2.98 -0.10 6.98 0.00 -0.41 -4.97 121.76 124.43 2ww0 s ALA 73 Ca 0.33 0.65 0.16 0.00 0.00 0.00 0.00 51.96 53.10 2ww0 s ALA 73 Cb 0.18 -3.26 -0.19 0.00 0.00 0.00 0.00 23.12 19.85 2ww0 s ALA 73 CO 0.27 -0.25 0.65 0.09 0.00 0.00 0.00 175.76 176.52 2ww0 n ASN 74 N -0.51 0.71 -4.27 0.00 3.02 -1.26 -4.98 115.26 107.97 2ww0 n ASN 74 Ca 0.07 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.69 2ww0 n ASN 74 Cb 0.51 0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.78 1.35 -0.16 3.52 1.02 -1.26 -1.63 119.74 119.80 2ww0 s LYS 75 Ca -0.05 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 2ww0 s LYS 75 Cb 0.08 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 2ww0 s LYS 75 CO 0.82 0.38 0.00 0.42 -0.92 0.00 0.00 175.35 176.06 2ww0 s ILE 76 N -0.91 4.27 -0.90 2.17 1.01 -0.22 -4.36 121.20 122.27 2ww0 s ILE 76 Ca 0.08 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2ww0 s ILE 76 Cb -0.09 -2.89 0.14 0.00 0.01 0.00 0.00 42.46 39.63 2ww0 s ILE 76 CO 0.03 0.49 0.95 -2.11 0.00 0.00 0.00 174.94 174.30 2ww0 n ARG 77 N 3.37 1.32 0.00 2.79 1.85 0.03 -1.38 116.66 124.64 2ww0 n ARG 77 Ca -0.17 -1.39 0.00 0.00 -1.00 0.00 0.00 57.85 55.29 2ww0 n ARG 77 Cb 0.52 -1.18 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 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 0.39 1.44 3.24 2.89 0.00 -1.23 -4.80 105.19 107.12 2ww0 n GLY 78 Ca 0.07 -0.97 -0.35 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 3.03 -0.01 1.61 0.40 0.58 -0.45 117.98 121.13 2ww0 s PHE 79 Ca 0.00 -1.31 0.02 0.00 -0.60 0.00 0.00 56.93 55.04 2ww0 s PHE 79 Cb 0.00 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 2ww0 s PHE 79 CO 0.00 -0.66 -0.04 0.21 0.70 0.00 0.00 175.22 175.42 2ww0 s LYS 80 N 1.39 2.67 -0.17 0.44 2.20 -0.15 -1.26 119.74 124.85 2ww0 s LYS 80 Ca 0.02 -0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 54.77 2ww0 s LYS 80 Cb -0.16 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 2ww0 s LYS 80 CO -0.04 0.62 0.66 -1.14 -0.36 0.00 0.00 175.35 175.09 2ww0 s GLN 81 N -1.34 4.25 0.08 4.03 0.74 0.47 -1.39 119.66 126.51 2ww0 s GLN 81 Ca 0.17 0.69 0.03 0.00 0.05 0.00 0.00 55.36 56.30 2ww0 s GLN 81 Cb -0.11 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 2ww0 s GLN 81 CO 0.07 -0.20 -0.09 -0.08 -0.55 0.00 0.00 175.29 174.44 2ww0 s THR 82 N 1.75 0.83 0.00 -0.34 -1.32 -0.01 -3.24 115.64 113.30 2ww0 s THR 82 Ca 0.31 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2ww0 s THR 82 Cb -0.16 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 2ww0 s THR 82 CO 0.11 -0.53 0.65 1.41 -2.21 0.00 0.00 174.62 174.06 2ww0 n HIS 83 N 0.77 0.00 -1.69 9.09 8.25 -1.25 -2.33 115.22 128.06 2ww0 n HIS 83 Ca -0.18 -0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 56.65 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 0.94 0.64 0.00 0.00 176.34 177.92 2ww0 n GLN 84 N -0.21 2.83 0.12 -0.41 7.27 -1.26 -4.86 117.38 120.85 2ww0 n GLN 84 Ca 0.00 1.03 0.11 0.00 0.07 0.00 0.00 57.00 58.21 2ww0 n GLN 84 Cb 0.23 -2.93 0.02 0.00 2.41 0.00 0.00 30.24 29.97 2ww0 n GLN 84 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2ww0 h PRO 85 N 8.62 0.00 -1.71 3.69 0.13 -1.90 -3.49 132.00 137.34 2ww0 h PRO 85 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2ww0 h PRO 85 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 2ww0 h PRO 85 CO 0.95 0.01 0.42 0.45 -0.23 0.00 0.00 178.00 179.60 2ww0 s SER 86 N -5.47 -0.47 0.37 1.44 0.15 -1.26 -4.58 113.70 103.88 2ww0 s SER 86 Ca 0.00 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.25 2ww0 s SER 86 Cb 0.09 0.42 0.73 0.00 -1.71 0.00 0.00 66.02 65.55 2ww0 s SER 86 CO 0.78 -0.42 1.97 1.55 1.20 0.00 0.00 173.24 178.32 2ww0 h PRO 87 N 2.82 0.55 -0.54 5.44 0.13 -1.81 0.12 132.00 138.72 2ww0 h PRO 87 Ca -0.22 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2ww0 h PRO 87 Cb 1.16 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2ww0 h PRO 87 CO 0.32 0.46 -0.05 -1.49 -0.23 0.00 0.00 178.00 177.01 2ww0 h TRP 88 N 0.55 1.05 0.15 1.56 4.06 -1.95 -3.16 115.95 118.20 2ww0 h TRP 88 Ca 0.14 -0.19 -0.29 0.00 2.06 0.00 0.00 58.89 60.61 2ww0 h TRP 88 Cb 0.12 -0.27 0.02 0.00 -1.00 0.00 0.00 29.16 28.03 2ww0 h TRP 88 CO 0.01 0.96 -1.28 0.82 -3.56 0.00 0.00 178.44 175.39 2ww0 h ILE 89 N 0.87 1.37 -0.36 1.49 1.08 -1.84 -3.50 117.51 116.62 2ww0 h ILE 89 Ca 0.15 -2.73 0.03 0.00 -0.39 0.00 0.00 64.86 61.91 2ww0 h ILE 89 Cb 0.58 2.85 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 2ww0 h ILE 89 CO 0.04 0.81 -0.04 -3.20 -0.69 0.00 0.00 178.15 175.07 2ww0 n ASN 90 N -3.68 -1.00 -4.90 1.72 2.85 0.40 -4.84 115.26 105.81 2ww0 n ASN 90 Ca -0.12 0.12 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 2ww0 n ASN 90 Cb 1.02 -0.33 -0.02 0.00 1.24 0.00 0.00 39.78 41.69 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 -3.28 5.06 0.20 1.20 -1.08 -1.26 -4.38 116.67 113.12 2ww0 s ASP 91 Ca 0.00 -0.78 -0.22 0.00 -0.52 0.00 0.00 52.55 51.03 2ww0 s ASP 91 Cb 0.00 -0.44 0.05 0.00 -1.46 0.00 0.00 42.92 41.08 2ww0 s ASP 91 CO 0.00 -0.74 0.63 -0.72 0.52 0.00 0.00 175.17 174.86 2ww0 s TYR 92 N -2.50 -0.41 -1.22 -5.34 1.13 -1.26 -2.49 117.35 105.25 2ww0 s TYR 92 Ca 0.48 0.12 -0.02 0.00 -1.41 0.00 0.00 57.07 56.24 2ww0 s TYR 92 Cb -0.04 0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 41.41 2ww0 s TYR 92 CO 0.28 -0.97 0.85 0.41 -2.51 0.00 0.00 175.55 173.61 2ww0 n GLY 93 N -0.40 -0.47 3.27 5.49 0.00 -1.24 -3.77 105.19 108.06 2ww0 n GLY 93 Ca -0.13 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.53 2.48 0.19 1.61 -2.07 -1.26 -4.49 119.66 110.59 2ww0 s GLN 94 Ca 0.09 -0.90 -0.19 0.00 -1.82 0.00 0.00 55.36 52.54 2ww0 s GLN 94 Cb -0.02 -2.13 0.04 0.00 -1.09 0.00 0.00 33.01 29.81 2ww0 s GLN 94 CO 0.77 0.40 0.55 -0.59 -1.32 0.00 0.00 175.29 175.10 2ww0 s PHE 95 N -0.21 -0.20 0.14 9.60 -0.71 -1.20 -4.61 117.98 120.79 2ww0 s PHE 95 Ca -0.02 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.75 2ww0 s PHE 95 Cb -0.13 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 2ww0 s PHE 95 CO 0.03 -0.92 0.01 -1.54 -1.34 0.00 0.00 175.22 171.47 2ww0 s SER 96 N -2.85 0.83 0.01 1.98 1.04 -0.51 -0.40 113.70 113.80 2ww0 s SER 96 Ca 0.07 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2ww0 s SER 96 Cb -0.01 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 2ww0 s SER 96 CO -0.04 -0.62 -0.09 -0.51 0.98 0.00 0.00 173.24 172.95 2ww0 s ILE 97 N -3.82 0.73 -0.16 -1.02 2.07 -0.39 -0.47 121.20 118.15 2ww0 s ILE 97 Ca 0.22 -0.57 -0.05 0.00 -1.41 0.00 0.00 60.65 58.84 2ww0 s ILE 97 Cb 0.07 -0.64 0.08 0.00 0.13 0.00 0.00 42.46 42.09 2ww0 s ILE 97 CO 0.02 0.08 0.31 -0.32 -1.91 0.00 0.00 174.94 173.12 2ww0 s MET 98 N -0.55 0.21 0.31 3.50 -2.45 0.17 -0.31 119.30 120.18 2ww0 s MET 98 Ca 0.01 0.80 -0.25 0.00 -1.25 0.00 0.00 55.69 55.00 2ww0 s MET 98 Cb -0.05 0.00 -0.10 0.00 1.25 0.00 0.00 34.83 35.93 2ww0 s MET 98 CO 0.00 -0.31 0.91 -1.25 1.05 0.00 0.00 175.02 175.42 2ww0 s PRO 99 N 2.48 4.52 0.34 4.11 0.04 -1.26 0.41 135.00 145.63 2ww0 s PRO 99 Ca 0.01 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2ww0 s PRO 99 Cb -0.12 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2ww0 s PRO 99 CO -0.10 0.28 0.44 0.44 0.04 0.00 0.00 177.00 178.09 2ww0 n ILE 100 N 0.52 0.00 -3.79 0.56 -5.35 -0.46 -4.93 119.36 105.90 2ww0 n ILE 100 Ca 0.02 -1.87 -0.13 0.00 -0.27 0.00 0.00 62.75 60.50 2ww0 n ILE 100 Cb 0.50 1.10 -0.09 0.00 -1.74 0.00 0.00 39.64 39.41 2ww0 n ILE 100 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2ww0 s VAL 101 N -2.91 0.07 0.00 7.28 1.01 -1.26 -1.57 120.40 123.02 2ww0 s VAL 101 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2ww0 s VAL 101 Cb -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2ww0 s VAL 101 CO 0.22 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2ww0 n GLY 102 N 1.31 1.10 3.75 4.51 0.00 -0.18 -4.91 105.19 110.77 2ww0 n GLY 102 Ca -0.22 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 4.84 -0.63 1.61 -1.52 -1.26 -4.80 119.66 117.89 2ww0 s GLN 103 Ca 0.00 1.47 -0.27 0.00 -1.95 0.00 0.00 55.36 54.61 2ww0 s GLN 103 Cb 0.00 -3.28 0.01 0.00 -0.22 0.00 0.00 33.01 29.52 2ww0 s GLN 103 CO 0.00 0.51 1.47 -1.25 -0.25 0.00 0.00 175.29 175.77 2ww0 s PRO 104 N -1.12 3.11 -0.04 2.91 0.04 -1.26 -4.99 135.00 133.65 2ww0 s PRO 104 Ca 0.41 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.76 2ww0 s PRO 104 Cb -0.26 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 2ww0 s PRO 104 CO 0.32 -2.19 -0.20 0.14 0.04 0.00 0.00 177.00 175.10 2ww0 s VAL 105 N 6.63 1.65 -0.14 -0.36 -7.23 -1.26 -5.02 120.40 114.67 2ww0 s VAL 105 Ca 0.50 -0.85 0.19 0.00 -1.81 0.00 0.00 61.98 60.01 2ww0 s VAL 105 Cb -0.10 -1.40 -0.28 0.00 0.56 0.00 0.00 36.38 35.16 2ww0 s VAL 105 CO 0.21 0.47 0.21 0.33 -0.31 0.00 0.00 175.10 176.00 2ww0 n PHE 106 N 2.97 0.00 -1.58 2.82 7.35 -1.26 -4.70 117.46 123.06 2ww0 n PHE 106 Ca -0.17 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.04 2ww0 n PHE 106 Cb 0.53 -0.82 -0.03 0.00 0.35 0.00 0.00 39.48 39.50 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 -2.58 1.38 0.01 -2.13 -0.08 -1.26 -4.85 116.55 107.04 2ww0 n ASP 107 Ca -0.23 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.30 2ww0 n ASP 107 Cb 0.96 -1.24 0.45 0.00 2.34 0.00 0.00 41.12 43.62 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 1.52 0.02 -0.13 -0.67 0.28 -1.26 -1.60 120.64 118.80 2ww0 n GLU 108 Ca 0.14 0.15 -0.24 0.00 -0.16 0.00 0.00 57.16 57.04 2ww0 n GLU 108 Cb 0.27 -1.53 -0.11 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 -1.56 0.62 0.24 3.44 1.02 -1.26 -4.05 120.64 119.09 2ww0 n GLU 109 Ca 0.05 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 2ww0 n GLU 109 Cb 0.25 -1.53 0.59 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.56 0.01 0.00 3.49 1.57 -1.92 -1.75 116.57 117.42 2ww0 h LYS 110 Ca -0.62 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 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 -0.26 0.07 -0.32 2.89 -0.57 0.00 0.00 179.45 181.26 2ww0 n ARG 111 N -4.47 0.16 -1.83 3.15 1.85 -0.63 -4.93 116.66 109.96 2ww0 n ARG 111 Ca -0.03 0.08 -0.34 0.00 -1.00 0.00 0.00 57.85 56.57 2ww0 n ARG 111 Cb 0.14 -1.63 0.04 0.00 -1.05 0.00 0.00 32.46 29.96 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 -3.08 2.48 0.02 2.89 0.00 -0.66 -4.92 121.76 118.48 2ww0 s ALA 112 Ca 0.10 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2ww0 s ALA 112 Cb 0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2ww0 s ALA 112 CO 0.65 -1.24 -0.14 0.45 0.00 0.00 0.00 175.76 175.48 2ww0 s SER 113 N -2.31 1.62 0.78 0.00 0.15 -0.48 -4.95 113.70 108.51 2ww0 s SER 113 Ca 0.69 -0.35 -0.14 0.00 0.70 0.00 0.00 55.95 56.85 2ww0 s SER 113 Cb -0.23 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.00 2ww0 s SER 113 CO 0.39 0.10 1.10 0.79 1.20 0.00 0.00 173.24 176.82 2ww0 n TRP 114 N 2.31 1.02 -3.85 3.44 7.02 -1.26 -1.06 117.44 125.06 2ww0 n TRP 114 Ca -0.16 0.40 -0.08 0.00 -1.02 0.00 0.00 57.50 56.64 2ww0 n TRP 114 Cb 0.55 -2.10 -0.01 0.00 -2.42 0.00 0.00 31.31 27.34 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 -2.00 -0.02 0.03 -5.99 -0.71 -0.65 -1.33 117.98 107.32 2ww0 s PHE 115 Ca 0.73 -0.51 -0.00 0.00 -1.04 0.00 0.00 56.93 56.11 2ww0 s PHE 115 Cb -0.31 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 2ww0 s PHE 115 CO 0.51 -1.35 -0.03 0.00 -1.34 0.00 0.00 175.22 173.01 2ww0 s ALA 116 N -3.32 0.29 0.42 1.99 0.00 -1.26 -4.82 121.76 115.07 2ww0 s ALA 116 Ca 0.14 -0.86 0.17 0.00 0.00 0.00 0.00 51.96 51.41 2ww0 s ALA 116 Cb -0.05 0.20 1.05 0.00 0.00 0.00 0.00 23.12 24.31 2ww0 s ALA 116 CO 0.09 -0.25 1.98 0.45 0.00 0.00 0.00 175.76 178.03 2ww0 h HIS 117 N 4.01 0.00 0.00 0.00 3.86 -1.95 0.26 115.15 121.32 2ww0 h HIS 117 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ww0 h HIS 117 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ww0 h HIS 117 CO 0.61 0.21 0.00 1.63 0.86 0.00 0.00 177.93 181.23 2ww0 n LYS 118 N -4.12 0.16 -0.28 2.45 5.02 -1.26 -1.66 118.16 118.47 2ww0 n LYS 118 Ca -0.02 0.17 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 2ww0 n LYS 118 Cb 0.28 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.04 3.37 3.15 0.72 0.00 0.90 -4.99 105.19 108.31 2ww0 n GLY 119 Ca 0.06 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.82 1.49 -0.19 1.61 2.12 -0.67 -1.88 118.70 119.37 2ww0 s GLU 120 Ca 0.30 -0.61 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 2ww0 s GLU 120 Cb 0.21 -1.40 0.05 0.00 0.26 0.00 0.00 34.13 33.25 2ww0 s GLU 120 CO 0.12 0.33 -0.06 0.08 -0.54 0.00 0.00 175.26 175.19 2ww0 s VAL 121 N -0.27 1.26 -0.22 3.70 1.01 0.57 -4.94 120.40 121.52 2ww0 s VAL 121 Ca 0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2ww0 s VAL 121 Cb -0.08 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2ww0 s VAL 121 CO 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.09 2ww0 s ALA 122 N 1.55 2.72 0.16 5.51 0.00 -1.26 -0.95 121.76 129.48 2ww0 s ALA 122 Ca -0.01 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2ww0 s ALA 122 Cb -0.16 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2ww0 s ALA 122 CO -0.07 -0.44 -0.05 0.95 0.00 0.00 0.00 175.76 176.14 2ww0 s THR 123 N 1.43 0.91 0.47 0.00 -4.23 -0.22 -4.51 115.64 109.50 2ww0 s THR 123 Ca 0.05 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 58.72 2ww0 s THR 123 Cb -0.14 -1.98 0.33 0.00 1.34 0.00 0.00 72.50 72.05 2ww0 s THR 123 CO -0.05 -0.62 2.02 -0.65 -0.54 0.00 0.00 174.62 174.77 2ww0 h PRO 124 N 2.74 0.26 -0.01 3.99 0.11 -1.88 -2.94 132.00 134.26 2ww0 h PRO 124 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ww0 h PRO 124 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ww0 h PRO 124 CO 0.64 0.17 -0.33 2.48 -0.21 0.00 0.00 178.00 180.75 2ww0 n TYR 125 N -4.46 0.00 -3.65 0.65 4.11 -1.26 -1.53 117.16 111.01 2ww0 n TYR 125 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.86 2ww0 n TYR 125 Cb 0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.62 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 -1.87 -0.82 -0.03 -3.48 5.04 -1.11 -4.20 117.35 110.88 2ww0 s TYR 126 Ca 0.13 1.82 0.01 0.00 -2.44 0.00 0.00 57.07 56.59 2ww0 s TYR 126 Cb 0.13 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.84 2ww0 s TYR 126 CO 0.40 -0.41 -0.03 -0.47 -1.34 0.00 0.00 175.55 173.70 2ww0 s TYR 127 N 0.91 0.56 0.02 4.97 5.04 -0.48 -1.05 117.35 127.31 2ww0 s TYR 127 Ca -0.05 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2ww0 s TYR 127 Cb -0.05 -0.52 -0.01 0.00 0.35 0.00 0.00 41.96 41.73 2ww0 s TYR 127 CO -0.08 -0.14 -0.07 0.21 -1.34 0.00 0.00 175.55 174.13 2ww0 s LYS 128 N 0.76 0.53 -0.11 4.97 2.20 -0.13 -0.98 119.74 126.98 2ww0 s LYS 128 Ca -0.09 -0.44 -0.25 0.00 -0.36 0.00 0.00 55.97 54.83 2ww0 s LYS 128 Cb -0.12 -0.44 0.06 0.00 -1.51 0.00 0.00 37.83 35.81 2ww0 s LYS 128 CO -0.00 0.11 0.60 0.54 -0.36 0.00 0.00 175.35 176.24 2ww0 s VAL 129 N -0.62 0.01 -0.27 4.02 0.11 -0.64 -0.31 120.40 122.69 2ww0 s VAL 129 Ca -0.02 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 2ww0 s VAL 129 Cb -0.05 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 2ww0 s VAL 129 CO 0.00 -0.04 0.25 -0.47 -3.33 0.00 0.00 175.10 171.51 2ww0 s TYR 130 N -0.63 3.24 -0.56 1.54 5.04 -0.79 -1.20 117.35 123.99 2ww0 s TYR 130 Ca -0.07 0.24 -0.22 0.00 -2.44 0.00 0.00 57.07 54.58 2ww0 s TYR 130 Cb -0.02 -2.44 0.06 0.00 0.35 0.00 0.00 41.96 39.91 2ww0 s TYR 130 CO 0.06 -0.16 0.82 -0.51 -1.34 0.00 0.00 175.55 174.42 2ww0 s LEU 131 N 1.79 4.55 0.39 6.97 1.43 0.11 -4.61 118.68 129.31 2ww0 s LEU 131 Ca 0.10 -0.76 0.17 0.00 -1.03 0.00 0.00 54.13 52.61 2ww0 s LEU 131 Cb -0.16 -2.57 0.81 0.00 0.03 0.00 0.00 46.19 44.30 2ww0 s LEU 131 CO 0.10 -1.16 1.83 0.00 0.23 0.00 0.00 176.35 177.35 2ww0 h ALA 132 N 9.26 1.23 -0.00 4.21 0.00 -1.50 0.12 119.26 132.57 2ww0 h ALA 132 Ca -0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ww0 h ALA 132 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ww0 h ALA 132 CO 1.07 0.43 -0.25 0.39 0.00 0.00 0.00 179.25 180.89 2ww0 n GLU 133 N -3.84 0.14 -0.00 0.00 1.02 -1.26 -3.70 120.64 113.00 2ww0 n GLU 133 Ca -0.01 -0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.10 2ww0 n GLU 133 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.39 0.00 -3.44 -0.32 8.25 -0.96 -4.94 115.22 112.42 2ww0 n HIS 134 Ca 0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 2ww0 n HIS 134 Cb 0.33 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.20 -3.65 -4.16 0.41 2.03 -0.01 -4.72 116.55 105.24 2ww0 n ASP 135 Ca 0.01 -0.56 -0.26 0.00 0.52 0.00 0.00 54.79 54.49 2ww0 n ASP 135 Cb 0.08 -4.90 -0.16 0.00 -0.72 0.00 0.00 41.12 35.43 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 -3.33 1.47 -0.20 5.18 1.01 -1.09 -3.63 121.20 120.60 2ww0 s ILE 136 Ca 0.22 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2ww0 s ILE 136 Cb -0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2ww0 s ILE 136 CO 0.70 0.42 0.10 -0.69 0.00 0.00 0.00 174.94 175.46 2ww0 s VAL 137 N -0.21 4.99 -0.11 2.92 1.01 -0.90 0.08 120.40 128.18 2ww0 s VAL 137 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2ww0 s VAL 137 Cb -0.09 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2ww0 s VAL 137 CO 0.01 0.42 -0.10 -0.89 0.00 0.00 0.00 175.10 174.54 2ww0 s THR 138 N 0.61 3.39 0.01 3.92 2.01 -0.34 -0.71 115.64 124.54 2ww0 s THR 138 Ca 0.05 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2ww0 s THR 138 Cb -0.13 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2ww0 s THR 138 CO 0.01 0.55 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.74 2ww0 s GLU 139 N -0.11 1.02 0.01 4.92 2.02 -0.53 -1.62 118.70 124.41 2ww0 s GLU 139 Ca -0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2ww0 s GLU 139 Cb -0.13 -1.00 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2ww0 s GLU 139 CO 0.03 0.26 -0.04 0.00 0.02 0.00 0.00 175.26 175.53 2ww0 s MET 140 N -0.72 0.34 -0.04 1.61 0.23 -0.16 -0.43 119.30 120.13 2ww0 s MET 140 Ca 0.03 -0.34 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 2ww0 s MET 140 Cb -0.06 -0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.04 2ww0 s MET 140 CO 0.00 0.05 -0.01 0.95 -2.03 0.00 0.00 175.02 173.99 2ww0 s THR 141 N -0.58 0.28 0.33 3.16 -4.23 -0.55 -1.39 115.64 112.66 2ww0 s THR 141 Ca -0.04 0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2ww0 s THR 141 Cb -0.05 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 2ww0 s THR 141 CO -0.00 0.18 0.24 -2.16 -0.54 0.00 0.00 174.62 172.34 2ww0 s PRO 142 N 1.14 2.64 0.00 3.99 0.04 -1.26 -0.42 135.00 141.13 2ww0 s PRO 142 Ca -0.08 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 59.62 2ww0 s PRO 142 Cb -0.14 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2ww0 s PRO 142 CO -0.02 0.13 0.00 0.25 0.04 0.00 0.00 177.00 177.40 2ww0 n THR 143 N -1.29 0.00 -0.10 1.26 -2.24 0.19 -4.69 114.28 107.41 2ww0 n THR 143 Ca -0.03 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 2ww0 n THR 143 Cb 0.60 -0.18 0.12 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.79 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.38 2ww0 h GLU 144 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2ww0 h GLU 144 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2ww0 h GLU 144 CO 0.00 0.87 0.00 0.54 -1.00 0.00 0.00 179.01 179.42 2ww0 n ARG 145 N -4.16 5.32 -4.49 2.33 1.74 -1.26 -1.72 116.66 114.42 2ww0 n ARG 145 Ca 0.01 -0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 2ww0 n ARG 145 Cb 0.37 -0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.76 2.60 0.07 7.54 0.00 -1.26 -3.44 121.76 126.50 2ww0 s ALA 146 Ca 0.00 -1.82 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 2ww0 s ALA 146 Cb 0.00 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.78 2ww0 s ALA 146 CO 0.00 -0.29 0.39 0.54 0.00 0.00 0.00 175.76 176.40 2ww0 s VAL 147 N -3.24 0.06 -0.10 0.00 0.11 0.18 0.55 120.40 117.97 2ww0 s VAL 147 Ca 0.32 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.88 2ww0 s VAL 147 Cb 0.07 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2ww0 s VAL 147 CO 0.15 -0.29 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.18 2ww0 s LEU 148 N -2.25 2.06 -0.05 2.54 2.96 0.44 -1.18 118.68 123.20 2ww0 s LEU 148 Ca -0.03 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.33 2ww0 s LEU 148 Cb 0.00 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2ww0 s LEU 148 CO -0.05 0.14 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.74 2ww0 s PHE 149 N 0.44 3.07 -0.17 5.38 0.40 -0.34 -1.48 117.98 125.28 2ww0 s PHE 149 Ca -0.17 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2ww0 s PHE 149 Cb -0.17 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.66 2ww0 s PHE 149 CO 0.07 0.43 -0.09 0.50 0.70 0.00 0.00 175.22 176.82 2ww0 s ARG 150 N -1.08 1.86 -0.29 0.44 3.52 0.43 -0.89 118.95 122.95 2ww0 s ARG 150 Ca 0.15 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 55.04 2ww0 s ARG 150 Cb -0.11 -2.12 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 2ww0 s ARG 150 CO 0.05 -0.36 0.16 -0.06 -0.81 0.00 0.00 175.30 174.28 2ww0 s PHE 151 N 1.53 3.18 -0.48 5.12 0.40 0.10 -1.45 117.98 126.38 2ww0 s PHE 151 Ca 0.02 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 2ww0 s PHE 151 Cb -0.15 -2.36 0.05 0.00 0.51 0.00 0.00 43.02 41.07 2ww0 s PHE 151 CO -0.09 -0.27 0.55 0.99 0.70 0.00 0.00 175.22 177.10 2ww0 s THR 152 N 1.70 4.96 0.42 0.64 2.01 0.11 -1.19 115.64 124.30 2ww0 s THR 152 Ca 0.06 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 2ww0 s THR 152 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2ww0 s THR 152 CO 0.09 -0.67 0.72 -0.36 -0.69 0.00 0.00 174.62 173.71 2ww0 s PHE 153 N 2.41 3.52 0.79 4.92 0.08 -0.08 -2.11 117.98 127.51 2ww0 s PHE 153 Ca 0.14 0.79 -0.07 0.00 0.12 0.00 0.00 56.93 57.91 2ww0 s PHE 153 Cb -0.19 -2.26 0.13 0.00 -0.57 0.00 0.00 43.02 40.13 2ww0 s PHE 153 CO 0.12 -0.12 1.10 -1.25 -0.10 0.00 0.00 175.22 174.97 2ww0 s PRO 154 N -4.30 1.50 -0.19 0.24 0.04 -1.24 -0.71 135.00 130.35 2ww0 s PRO 154 Ca 0.47 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 60.57 2ww0 s PRO 154 Cb -0.10 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2ww0 s PRO 154 CO 0.38 -1.68 1.47 -2.00 0.04 0.00 0.00 177.00 175.21 2ww0 s GLU 155 N -5.40 4.00 -0.15 4.56 2.12 -1.26 -4.34 118.70 118.24 2ww0 s GLU 155 Ca 0.67 1.69 -0.28 0.00 0.36 0.00 0.00 54.97 57.41 2ww0 s GLU 155 Cb -0.06 -3.93 0.07 0.00 0.26 0.00 0.00 34.13 30.47 2ww0 s GLU 155 CO 0.47 -1.02 0.68 1.21 -0.54 0.00 0.00 175.26 176.06 2ww0 s ASN 156 N 3.21 -0.68 0.21 -1.70 3.84 -0.54 -4.88 114.94 114.40 2ww0 s ASN 156 Ca 0.65 1.02 0.26 0.00 0.21 0.00 0.00 52.86 54.99 2ww0 s ASN 156 Cb -0.24 0.94 0.74 0.00 -0.55 0.00 0.00 41.25 42.14 2ww0 s ASN 156 CO 0.24 -0.44 1.72 0.44 -2.79 0.00 0.00 177.10 176.27 2ww0 h ASP 157 N 3.94 0.00 -2.76 -4.21 3.32 -1.87 0.11 116.42 114.95 2ww0 h ASP 157 Ca -0.28 -0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.14 2ww0 h ASP 157 Cb 1.15 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.30 2ww0 h ASP 157 CO 0.24 0.01 -0.80 -1.00 -1.72 0.00 0.00 179.24 175.98 2ww0 s HIS 158 N -3.11 2.11 -0.12 4.55 3.76 -1.26 -4.18 115.29 117.03 2ww0 s HIS 158 Ca 0.10 -2.71 -0.04 0.00 -0.15 0.00 0.00 55.06 52.26 2ww0 s HIS 158 Cb 0.12 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 2ww0 s HIS 158 CO 0.61 -0.72 0.03 -1.12 -0.85 0.00 0.00 174.74 172.70 2ww0 s SER 159 N -0.46 5.42 0.23 1.40 0.01 -0.80 -1.01 113.70 118.49 2ww0 s SER 159 Ca 0.28 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.69 2ww0 s SER 159 Cb -0.03 -1.71 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 2ww0 s SER 159 CO -0.16 0.30 0.04 -0.31 0.41 0.00 0.00 173.24 173.52 2ww0 s TYR 160 N -0.41 1.48 -0.08 2.43 1.51 -0.61 -1.28 117.35 120.39 2ww0 s TYR 160 Ca 0.08 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 2ww0 s TYR 160 Cb -0.12 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 2ww0 s TYR 160 CO 0.02 -0.19 -0.08 0.08 -1.11 0.00 0.00 175.55 174.27 2ww0 s VAL 161 N -3.60 0.93 -0.10 0.71 1.01 0.46 -1.36 120.40 118.44 2ww0 s VAL 161 Ca 0.31 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2ww0 s VAL 161 Cb 0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2ww0 s VAL 161 CO 0.10 0.33 0.26 -0.69 0.00 0.00 0.00 175.10 175.10 2ww0 s VAL 162 N 1.22 5.30 -0.15 2.92 1.01 0.17 -2.04 120.40 128.82 2ww0 s VAL 162 Ca -0.05 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2ww0 s VAL 162 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2ww0 s VAL 162 CO -0.02 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 2ww0 s VAL 163 N -0.48 2.04 -0.19 2.92 1.01 0.73 -0.65 120.40 125.78 2ww0 s VAL 163 Ca 0.17 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2ww0 s VAL 163 Cb -0.14 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ww0 s VAL 163 CO 0.06 0.54 -0.16 -0.62 0.00 0.00 0.00 175.10 174.93 2ww0 s ASP 164 N 0.92 3.46 0.00 3.32 -1.08 0.38 -0.94 116.67 122.73 2ww0 s ASP 164 Ca -0.04 -0.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.68 2ww0 s ASP 164 Cb -0.15 -1.55 0.67 0.00 -1.46 0.00 0.00 42.92 40.43 2ww0 s ASP 164 CO -0.04 0.00 1.53 0.00 0.52 0.00 0.00 175.17 177.18 2ww0 n ALA 165 N 4.62 2.67 -0.62 3.66 0.00 -0.86 -1.42 120.51 128.55 2ww0 n ALA 165 Ca -0.20 -0.53 0.08 0.00 0.00 0.00 0.00 53.44 52.79 2ww0 n ALA 165 Cb 0.50 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 0.43 -1.56 -3.06 0.00 3.01 -1.26 -4.53 117.46 110.48 2ww0 n PHE 166 Ca 0.16 0.78 0.00 0.00 1.01 0.00 0.00 57.45 59.40 2ww0 n PHE 166 Cb 0.44 -1.42 0.00 0.00 -0.01 0.00 0.00 39.48 38.49 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 -2.45 0.98 -0.25 4.37 5.68 -1.26 -3.84 116.55 119.77 2ww0 n ASP 167 Ca 0.00 -0.57 -0.03 0.00 -0.50 0.00 0.00 54.79 53.69 2ww0 n ASP 167 Cb 0.28 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.29 -0.23 -0.11 0.11 4.76 -0.84 -3.61 118.16 117.95 2ww0 n LYS 168 Ca 0.00 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 2ww0 n LYS 168 Cb 0.00 -4.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.97 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 -2.50 0.10 2.63 0.72 0.00 0.18 -4.67 105.19 101.65 2ww0 n GLY 169 Ca -0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.73 -3.73 1.61 3.41 0.11 -3.61 113.62 110.68 2ww0 n SER 170 Ca 0.00 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.78 2ww0 n SER 170 Cb 0.00 1.56 -0.10 0.00 -0.26 0.00 0.00 64.21 65.41 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 -3.15 -0.44 0.01 7.33 5.04 -0.54 -2.43 117.35 123.17 2ww0 s TYR 171 Ca 0.30 1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.99 2ww0 s TYR 171 Cb 0.01 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.46 2ww0 s TYR 171 CO 0.21 -0.22 0.03 -1.50 -1.34 0.00 0.00 175.55 172.73 2ww0 s ILE 172 N 0.19 0.10 -0.22 3.14 1.10 -0.40 -0.84 121.20 124.27 2ww0 s ILE 172 Ca -0.00 -0.80 -0.13 0.00 -0.51 0.00 0.00 60.65 59.22 2ww0 s ILE 172 Cb -0.03 -0.31 0.07 0.00 0.15 0.00 0.00 42.46 42.34 2ww0 s ILE 172 CO 0.01 -0.44 0.54 -0.75 -2.11 0.00 0.00 174.94 172.19 2ww0 s LYS 173 N -1.37 0.54 -0.21 3.50 2.20 0.50 -1.06 119.74 123.84 2ww0 s LYS 173 Ca -0.15 1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 56.36 2ww0 s LYS 173 Cb -0.09 0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 2ww0 s LYS 173 CO -0.00 -0.15 0.12 0.42 -0.36 0.00 0.00 175.35 175.38 2ww0 s ILE 174 N 1.50 5.21 -0.63 5.43 1.01 0.24 -1.12 121.20 132.84 2ww0 s ILE 174 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2ww0 s ILE 174 Cb -0.07 -3.39 0.16 0.00 0.01 0.00 0.00 42.46 39.17 2ww0 s ILE 174 CO -0.16 0.41 0.43 -0.63 0.00 0.00 0.00 174.94 174.99 2ww0 s ILE 175 N 0.65 3.36 0.24 2.92 1.09 0.35 -4.90 121.20 124.91 2ww0 s ILE 175 Ca 0.07 -3.32 -0.05 0.00 -1.10 0.00 0.00 60.65 56.25 2ww0 s ILE 175 Cb -0.12 -3.21 0.21 0.00 -1.06 0.00 0.00 42.46 38.27 2ww0 s ILE 175 CO 0.01 -0.89 1.83 -0.65 -0.10 0.00 0.00 174.94 175.14 2ww0 h PRO 176 N 6.58 0.83 0.00 2.79 0.11 -1.96 -1.81 132.00 138.54 2ww0 h PRO 176 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2ww0 h PRO 176 Cb 0.90 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2ww0 h PRO 176 CO 0.72 0.55 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 2ww0 n GLU 177 N -4.70 0.29 -0.11 1.05 4.71 -1.26 -0.59 120.64 120.04 2ww0 n GLU 177 Ca 0.13 0.04 0.02 0.00 -0.01 0.00 0.00 57.16 57.33 2ww0 n GLU 177 Cb 0.22 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.18 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 -1.06 1.11 -4.11 3.49 1.02 -0.75 -5.00 120.64 115.34 2ww0 n GLU 178 Ca 0.07 -1.26 -0.31 0.00 -0.02 0.00 0.00 57.16 55.64 2ww0 n GLU 178 Cb 0.05 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.40 -1.73 -4.08 1.62 3.02 0.25 -4.72 115.26 109.21 2ww0 n ASN 179 Ca 0.03 -1.02 -0.19 0.00 -0.03 0.00 0.00 54.58 53.36 2ww0 n ASN 179 Cb 0.49 -2.83 -0.14 0.00 -0.61 0.00 0.00 39.78 36.70 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 -6.79 0.83 -0.08 3.52 2.20 -0.79 -0.86 119.74 117.76 2ww0 s LYS 180 Ca 0.37 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2ww0 s LYS 180 Cb -0.20 -0.80 0.01 0.00 -1.51 0.00 0.00 37.83 35.33 2ww0 s LYS 180 CO 0.91 0.21 -0.18 0.42 -0.36 0.00 0.00 175.35 176.35 2ww0 s ILE 181 N -0.58 1.60 0.29 5.43 1.01 0.21 -0.50 121.20 128.65 2ww0 s ILE 181 Ca 0.02 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.00 2ww0 s ILE 181 Cb -0.06 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 2ww0 s ILE 181 CO 0.00 0.46 -0.11 0.27 0.00 0.00 0.00 174.94 175.56 2ww0 s ILE 182 N 0.47 2.02 0.00 2.92 -4.36 -0.28 0.07 121.20 122.04 2ww0 s ILE 182 Ca -0.16 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.00 2ww0 s ILE 182 Cb -0.17 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.14 2ww0 s ILE 182 CO 0.06 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.51 2ww0 n GLY 183 N -0.62 -0.59 3.03 6.27 0.00 -0.61 -0.37 105.19 112.30 2ww0 n GLY 183 Ca -0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2ww0 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 184 N -2.00 0.54 0.12 1.61 -0.85 -0.02 -0.28 117.35 116.46 2ww0 s TYR 184 Ca 0.00 -0.47 0.10 0.00 -0.52 0.00 0.00 57.07 56.17 2ww0 s TYR 184 Cb 0.00 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.97 2ww0 s TYR 184 CO 0.00 -0.10 -0.22 -0.08 -1.52 0.00 0.00 175.55 173.63 2ww0 s THR 185 N -1.30 2.61 0.00 -3.49 -1.32 -0.56 -1.46 115.64 110.12 2ww0 s THR 185 Ca -0.11 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2ww0 s THR 185 Cb -0.09 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.72 2ww0 s THR 185 CO 0.00 0.10 0.00 0.35 -2.21 0.00 0.00 174.62 172.86 2ww0 n THR 186 N 0.85 0.00 -1.64 5.08 -2.24 -1.24 -1.34 114.28 113.76 2ww0 n THR 186 Ca -0.17 -0.10 -0.53 0.00 -2.27 0.00 0.00 64.05 60.99 2ww0 n THR 186 Cb 0.53 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.49 1.35 -4.19 -0.78 0.63 -1.24 -4.75 116.66 107.19 2ww0 n ARG 187 Ca 0.00 0.49 -0.17 0.00 -0.92 0.00 0.00 57.85 57.25 2ww0 n ARG 187 Cb 0.00 -2.18 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 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 1.74 1.36 -0.13 6.15 4.22 -1.26 -3.70 114.94 123.31 2ww0 s ASN 188 Ca 0.89 -1.65 0.18 0.00 -2.14 0.00 0.00 52.86 50.14 2ww0 s ASN 188 Cb -0.94 0.61 0.33 0.00 1.28 0.00 0.00 41.25 42.53 2ww0 s ASN 188 CO 0.52 -1.18 1.20 -1.20 -2.04 0.00 0.00 177.10 174.39 2ww0 n SER 189 N -1.52 2.64 0.00 3.54 7.64 -1.04 -4.96 113.62 119.91 2ww0 n SER 189 Ca 0.04 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.90 2ww0 n SER 189 Cb 0.62 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.21 1.26 3.33 0.23 0.00 -1.26 -5.03 105.19 102.51 2ww0 n GLY 190 Ca 0.16 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.22 -0.36 3.01 -0.02 0.00 -1.26 -4.59 105.19 101.74 2ww0 n GLY 191 Ca 0.00 0.12 -0.12 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 -3.31 0.34 0.77 1.61 -7.23 -1.26 -0.07 120.40 111.25 2ww0 s VAL 192 Ca 0.28 -0.85 -0.10 0.00 -1.81 0.00 0.00 61.98 59.50 2ww0 s VAL 192 Cb -0.12 -0.42 0.06 0.00 0.56 0.00 0.00 36.38 36.46 2ww0 s VAL 192 CO 0.67 -0.34 1.09 -2.84 -0.31 0.00 0.00 175.10 173.37 2ww0 s PRO 193 N -1.26 2.26 0.40 4.82 0.02 -1.26 -4.93 135.00 135.05 2ww0 s PRO 193 Ca -0.10 1.16 0.14 0.00 0.02 0.00 0.00 61.00 62.22 2ww0 s PRO 193 Cb -0.08 -1.90 0.98 0.00 0.02 0.00 0.00 34.50 33.52 2ww0 s PRO 193 CO -0.00 -1.64 1.87 0.93 -0.33 0.00 0.00 177.00 177.83 2ww0 h GLU 194 N -1.13 0.50 -0.52 5.54 4.39 -1.97 -1.81 114.58 119.58 2ww0 h GLU 194 Ca -0.44 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 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 0.33 0.00 0.27 -1.16 0.00 0.00 179.01 178.96 2ww0 n ASN 195 N -4.53 2.19 -4.69 1.42 6.94 -1.26 -4.96 115.26 110.37 2ww0 n ASN 195 Ca 0.17 -2.16 -0.44 0.00 -0.02 0.00 0.00 54.58 52.14 2ww0 n ASN 195 Cb 0.57 -0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 2ww0 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww0 n PHE 196 N 0.35 2.50 -3.76 -2.53 7.35 -0.68 -4.99 117.46 115.69 2ww0 n PHE 196 Ca 0.11 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 56.81 2ww0 n PHE 196 Cb 0.42 -2.61 -0.10 0.00 0.35 0.00 0.00 39.48 37.54 2ww0 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww0 s LYS 197 N 1.19 0.55 -0.28 -4.13 1.02 -1.26 -4.82 119.74 112.01 2ww0 s LYS 197 Ca 0.78 0.07 -0.05 0.00 0.02 0.00 0.00 55.97 56.79 2ww0 s LYS 197 Cb -0.60 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 2ww0 s LYS 197 CO 0.36 -0.12 0.03 1.21 -0.92 0.00 0.00 175.35 175.90 2ww0 s ASN 198 N -0.71 4.85 -0.14 2.83 3.04 -0.45 -4.51 114.94 119.86 2ww0 s ASN 198 Ca -0.08 -0.76 -0.18 0.00 0.04 0.00 0.00 52.86 51.89 2ww0 s ASN 198 Cb -0.04 -1.81 -0.04 0.00 -1.54 0.00 0.00 41.25 37.82 2ww0 s ASN 198 CO 0.03 -0.17 0.46 -0.31 -3.04 0.00 0.00 177.10 174.07 2ww0 s TYR 199 N 1.44 3.48 0.08 0.43 1.51 0.63 -1.49 117.35 123.43 2ww0 s TYR 199 Ca 0.02 0.84 0.05 0.00 -1.01 0.00 0.00 57.07 56.97 2ww0 s TYR 199 Cb -0.17 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 2ww0 s TYR 199 CO 0.00 0.13 -0.15 -0.59 -1.11 0.00 0.00 175.55 173.84 2ww0 s PHE 200 N 0.77 1.28 -0.01 2.71 -0.12 0.61 -0.47 117.98 122.74 2ww0 s PHE 200 Ca 0.25 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2ww0 s PHE 200 Cb -0.15 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.52 2ww0 s PHE 200 CO 0.09 0.08 -0.11 0.42 -0.05 0.00 0.00 175.22 175.65 2ww0 s ILE 201 N -1.39 0.90 -0.10 -4.49 1.01 -0.48 -1.57 121.20 115.09 2ww0 s ILE 201 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2ww0 s ILE 201 Cb -0.09 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.64 2ww0 s ILE 201 CO 0.02 0.26 -0.04 -0.63 0.00 0.00 0.00 174.94 174.56 2ww0 s ILE 202 N -0.16 0.73 -0.19 2.92 1.01 0.11 -2.13 121.20 123.49 2ww0 s ILE 202 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2ww0 s ILE 202 Cb -0.06 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2ww0 s ILE 202 CO -0.00 0.31 -0.03 -1.61 0.00 0.00 0.00 174.94 173.60 2ww0 s GLU 203 N 1.83 3.54 0.03 2.79 2.02 0.22 -0.62 118.70 128.51 2ww0 s GLU 203 Ca 0.05 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2ww0 s GLU 203 Cb -0.12 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2ww0 s GLU 203 CO -0.07 0.04 0.16 -0.06 0.02 0.00 0.00 175.26 175.34 2ww0 s PHE 204 N 0.90 3.44 -0.37 1.61 0.40 -0.04 -0.49 117.98 123.42 2ww0 s PHE 204 Ca -0.00 0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.65 2ww0 s PHE 204 Cb -0.15 -1.76 0.61 0.00 0.51 0.00 0.00 43.02 42.24 2ww0 s PHE 204 CO 0.01 0.59 1.69 -0.40 0.70 0.00 0.00 175.22 177.81 2ww0 n ASP 205 N 0.72 4.14 -3.72 1.36 5.75 -0.98 -4.77 116.55 119.05 2ww0 n ASP 205 Ca -0.09 -3.14 -0.12 0.00 -0.01 0.00 0.00 54.79 51.43 2ww0 n ASP 205 Cb 0.52 -0.74 -0.13 0.00 -1.03 0.00 0.00 41.12 39.74 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 -2.66 0.21 0.41 0.11 2.36 -1.26 -4.90 119.74 114.01 2ww0 s LYS 206 Ca 0.47 0.56 -0.25 0.00 -2.55 0.00 0.00 55.97 54.19 2ww0 s LYS 206 Cb 0.38 -0.11 -0.08 0.00 -1.05 0.00 0.00 37.83 36.97 2ww0 s LYS 206 CO 0.11 -0.17 1.26 -2.14 1.55 0.00 0.00 175.35 175.96 2ww0 s PRO 207 N 1.38 3.95 -0.03 4.03 0.02 -1.26 -4.97 135.00 138.11 2ww0 s PRO 207 Ca -0.08 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 2ww0 s PRO 207 Cb -0.10 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.68 2ww0 s PRO 207 CO -0.09 -0.48 1.11 -0.06 -0.33 0.00 0.00 177.00 177.16 2ww0 s PHE 208 N -1.31 3.40 -0.26 6.54 0.08 -1.26 -4.81 117.98 120.36 2ww0 s PHE 208 Ca 0.58 1.41 0.22 0.00 0.12 0.00 0.00 56.93 59.26 2ww0 s PHE 208 Cb -0.36 -3.31 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 2ww0 s PHE 208 CO 0.46 -0.81 0.85 2.41 -0.10 0.00 0.00 175.22 178.02 2ww0 n THR 209 N 4.32 0.31 -4.04 0.64 -1.04 0.97 -4.90 114.28 110.54 2ww0 n THR 209 Ca 0.09 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 2ww0 n THR 209 Cb 0.48 -0.09 -0.14 0.00 -1.82 0.00 0.00 70.33 68.75 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 -3.38 0.29 -0.14 -1.42 6.14 -0.97 -4.95 117.35 112.92 2ww0 s TYR 210 Ca -0.02 -0.07 -0.12 0.00 0.64 0.00 0.00 57.07 57.50 2ww0 s TYR 210 Cb 0.12 -0.18 0.04 0.00 0.42 0.00 0.00 41.96 42.36 2ww0 s TYR 210 CO 0.83 -0.01 0.37 -1.59 0.64 0.00 0.00 175.55 175.80 2ww0 s LYS 211 N -0.12 0.41 -0.12 4.97 -2.85 -1.26 -0.95 119.74 119.82 2ww0 s LYS 211 Ca 0.01 0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 55.34 2ww0 s LYS 211 Cb -0.02 0.14 0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2ww0 s LYS 211 CO -0.00 -0.08 0.53 0.00 0.10 0.00 0.00 175.35 175.89 2ww0 s ALA 212 N 0.51 -1.33 0.33 0.59 0.00 -0.08 -1.03 121.76 120.76 2ww0 s ALA 212 Ca -0.03 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2ww0 s ALA 212 Cb -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2ww0 s ALA 212 CO -0.03 -0.29 0.37 0.95 0.00 0.00 0.00 175.76 176.77 2ww0 s THR 213 N -0.44 3.90 -0.04 0.00 -4.23 -0.95 -0.16 115.64 113.72 2ww0 s THR 213 Ca -0.06 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 2ww0 s THR 213 Cb -0.03 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 2ww0 s THR 213 CO 0.04 -0.18 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.06 2ww0 s VAL 214 N -2.22 1.57 -0.33 2.29 1.01 0.37 -1.09 120.40 122.00 2ww0 s VAL 214 Ca 0.42 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2ww0 s VAL 214 Cb -0.08 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 35.07 2ww0 s VAL 214 CO 0.29 0.45 0.13 -0.70 0.00 0.00 0.00 175.10 175.27 2ww0 s GLU 215 N -0.09 0.71 -1.12 2.72 -6.30 0.08 -1.93 118.70 112.78 2ww0 s GLU 215 Ca -0.02 -1.15 -0.12 0.00 -2.50 0.00 0.00 54.97 51.18 2ww0 s GLU 215 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 34.13 32.12 2ww0 s GLU 215 CO 0.02 -1.03 0.84 0.09 0.02 0.00 0.00 175.26 175.20 2ww0 n ASN 216 N 4.65 -5.44 0.00 -1.70 5.03 -1.15 -2.10 115.26 114.57 2ww0 n ASN 216 Ca 0.00 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.59 2ww0 n ASN 216 Cb 0.41 -4.27 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 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 -1.46 2.96 3.69 7.41 0.00 -1.26 -4.99 105.19 111.53 2ww0 n GLY 217 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.91 7.24 -0.12 1.61 -0.87 -0.89 -4.96 114.94 116.04 2ww0 s ASN 218 Ca 0.00 1.52 -0.27 0.00 -1.57 0.00 0.00 52.86 52.55 2ww0 s ASN 218 Cb 0.00 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.66 2ww0 s ASN 218 CO 0.00 -0.41 0.88 -0.22 -2.57 0.00 0.00 177.10 174.78 2ww0 s LEU 219 N 1.84 4.23 -0.30 0.60 2.96 -1.26 -0.74 118.68 126.01 2ww0 s LEU 219 Ca 0.48 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.73 2ww0 s LEU 219 Cb -0.19 -3.34 0.09 0.00 0.50 0.00 0.00 46.19 43.26 2ww0 s LEU 219 CO 0.19 -0.36 0.04 -1.10 -1.32 0.00 0.00 176.35 173.81 2ww0 s GLN 220 N 1.82 1.21 0.20 1.98 -0.21 -0.25 -5.00 119.66 119.41 2ww0 s GLN 220 Ca 0.42 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.14 2ww0 s GLN 220 Cb -0.18 -2.59 -0.09 0.00 1.00 0.00 0.00 33.01 31.15 2ww0 s GLN 220 CO 0.16 -0.88 1.38 -2.00 -2.12 0.00 0.00 175.29 171.84 2ww0 s GLU 221 N 1.29 4.33 0.00 2.91 2.12 -1.26 -2.23 118.70 125.86 2ww0 s GLU 221 Ca 0.07 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.56 2ww0 s GLU 221 Cb -0.18 -3.17 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 0.00 175.26 174.31 2ww0 n ASN 222 N 2.80 -3.39 -4.61 -1.70 3.02 -0.20 -4.95 115.26 106.24 2ww0 n ASN 222 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2ww0 n ASN 222 Cb 0.42 -1.72 -0.05 0.00 -0.61 0.00 0.00 39.78 37.81 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 -1.78 4.81 0.15 2.41 1.01 -1.15 -4.96 120.40 120.88 2ww0 s VAL 223 Ca 0.00 1.09 0.21 0.00 0.00 0.00 0.00 61.98 63.28 2ww0 s VAL 223 Cb 0.00 -4.13 0.18 0.00 0.00 0.00 0.00 36.38 32.43 2ww0 s VAL 223 CO 0.00 -0.25 1.77 0.00 0.00 0.00 0.00 175.10 176.62 2ww0 h ALA 224 N 8.17 1.01 -2.83 5.51 0.00 -1.90 -3.22 119.26 125.99 2ww0 h ALA 224 Ca -0.25 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 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 0.87 0.38 -0.29 -2.00 0.00 0.00 0.00 179.25 178.21 2ww0 s GLU 225 N -3.62 0.42 -0.03 0.00 2.12 -1.26 -0.59 118.70 115.73 2ww0 s GLU 225 Ca 0.00 0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.88 2ww0 s GLU 225 Cb 0.11 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.69 2ww0 s GLU 225 CO 0.67 -0.07 -0.01 -0.65 -0.54 0.00 0.00 175.26 174.66 2ww0 s GLN 226 N 0.35 0.39 -0.31 4.30 -1.52 -0.23 -5.00 119.66 117.63 2ww0 s GLN 226 Ca -0.01 0.03 0.03 0.00 -1.95 0.00 0.00 55.36 53.46 2ww0 s GLN 226 Cb -0.03 -0.52 0.08 0.00 -0.22 0.00 0.00 33.01 32.32 2ww0 s GLN 226 CO -0.01 -0.10 -0.01 0.99 -0.25 0.00 0.00 175.29 175.91 2ww0 s THR 227 N 0.88 2.18 0.34 -0.19 2.01 -1.26 -1.27 115.64 118.33 2ww0 s THR 227 Ca -0.09 -2.04 -0.18 0.00 0.31 0.00 0.00 61.69 59.68 2ww0 s THR 227 Cb -0.13 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.93 2ww0 s THR 227 CO -0.01 -0.39 0.78 0.28 -0.69 0.00 0.00 174.62 174.59 2ww0 s THR 228 N 1.00 0.00 0.16 -0.82 -1.32 -1.02 -5.03 115.64 108.62 2ww0 s THR 228 Ca 0.04 -0.98 -0.16 0.00 -1.21 0.00 0.00 61.69 59.37 2ww0 s THR 228 Cb -0.19 -2.57 0.07 0.00 -1.51 0.00 0.00 72.50 68.30 2ww0 s THR 228 CO -0.07 0.00 1.69 -0.78 -2.21 0.00 0.00 174.62 173.25 2ww0 h ASP 229 N 2.00 -0.19 -3.04 8.08 3.58 -1.93 0.35 116.42 125.27 2ww0 h ASP 229 Ca -0.28 0.09 -0.60 0.00 0.42 0.00 0.00 57.03 56.67 2ww0 h ASP 229 Cb 1.25 0.17 -0.40 0.00 1.72 0.00 0.00 39.33 42.07 2ww0 h ASP 229 CO 0.34 -0.06 -0.79 -2.28 -2.88 0.00 0.00 179.24 173.57 2ww0 s HIS 230 N -6.19 1.48 0.38 0.28 2.46 -1.26 0.51 115.29 112.95 2ww0 s HIS 230 Ca -0.13 -2.14 -0.17 0.00 0.47 0.00 0.00 55.06 53.09 2ww0 s HIS 230 Cb 0.14 -1.46 -0.09 0.00 -0.13 0.00 0.00 32.58 31.03 2ww0 s HIS 230 CO 0.71 -0.80 0.83 0.00 -2.47 0.00 0.00 174.74 173.01 2ww0 s ALA 231 N 0.54 3.21 0.21 1.58 0.00 -1.25 -2.91 121.76 123.14 2ww0 s ALA 231 Ca 0.19 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 2ww0 s ALA 231 Cb -0.21 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2ww0 s ALA 231 CO -0.02 0.18 0.54 0.20 0.00 0.00 0.00 175.76 176.66 2ww0 s GLY 232 N -2.41 -0.03 0.02 0.00 0.00 -0.81 -2.03 107.32 102.06 2ww0 s GLY 232 Ca 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2ww0 s GLY 232 CO 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 173.10 172.97 2ww0 s ALA 233 N -3.89 0.21 -0.07 3.20 0.00 -0.12 0.14 121.76 121.23 2ww0 s ALA 233 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2ww0 s ALA 233 Cb -0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2ww0 s ALA 233 CO -0.01 -0.11 -0.08 0.42 0.00 0.00 0.00 175.76 175.98 2ww0 s ILE 234 N -1.24 0.89 0.16 0.00 1.01 0.77 -0.19 121.20 122.60 2ww0 s ILE 234 Ca -0.13 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.30 2ww0 s ILE 234 Cb -0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2ww0 s ILE 234 CO -0.01 0.31 -0.19 0.27 0.00 0.00 0.00 174.94 175.32 2ww0 s ILE 235 N 0.95 1.85 0.31 2.92 -5.25 -0.87 -0.90 121.20 120.22 2ww0 s ILE 235 Ca -0.10 -1.88 -0.06 0.00 -0.99 0.00 0.00 60.65 57.62 2ww0 s ILE 235 Cb -0.15 -1.83 0.00 0.00 2.95 0.00 0.00 42.46 43.43 2ww0 s ILE 235 CO 0.00 -0.26 0.47 -0.83 -1.79 0.00 0.00 174.94 172.53 2ww0 s GLY 236 N -2.57 1.18 0.02 6.27 0.00 -0.12 -0.40 107.32 111.70 2ww0 s GLY 236 Ca 0.15 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.26 2ww0 s GLY 236 CO 0.07 -0.89 1.22 -0.11 0.00 0.00 0.00 173.10 173.38 2ww0 s PHE 237 N -3.34 -0.03 0.22 1.90 -0.71 -0.40 -0.02 117.98 115.60 2ww0 s PHE 237 Ca 0.28 -0.13 -0.20 0.00 -1.04 0.00 0.00 56.93 55.84 2ww0 s PHE 237 Cb -0.00 0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 42.30 2ww0 s PHE 237 CO 0.16 -0.41 0.73 -1.59 -1.34 0.00 0.00 175.22 172.78 2ww0 s LYS 238 N -2.43 4.28 -0.02 1.99 -2.85 -1.26 -1.90 119.74 117.56 2ww0 s LYS 238 Ca 0.18 0.90 0.04 0.00 -1.00 0.00 0.00 55.97 56.08 2ww0 s LYS 238 Cb 0.02 -2.89 -0.01 0.00 -2.06 0.00 0.00 37.83 32.90 2ww0 s LYS 238 CO -0.02 0.40 -0.13 0.95 0.10 0.00 0.00 175.35 176.65 2ww0 s THR 239 N -1.51 1.05 0.54 3.79 -4.23 0.39 -4.97 115.64 110.70 2ww0 s THR 239 Ca 0.43 -0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 2ww0 s THR 239 Cb -0.17 -0.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.72 2ww0 s THR 239 CO 0.21 0.30 0.95 -0.13 -0.54 0.00 0.00 174.62 175.42 2ww0 s ARG 240 N -0.13 3.74 0.17 3.99 0.52 -1.26 -1.47 118.95 124.52 2ww0 s ARG 240 Ca 0.02 0.73 -0.33 0.00 -0.52 0.00 0.00 55.73 55.62 2ww0 s ARG 240 Cb -0.07 -2.17 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 2ww0 s ARG 240 CO 0.00 -0.35 1.59 1.17 0.02 0.00 0.00 175.30 177.72 2ww0 n LYS 241 N -2.09 2.24 -0.95 3.54 4.81 -1.26 -0.88 118.16 123.56 2ww0 n LYS 241 Ca 0.05 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2ww0 n LYS 241 Cb 0.54 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 3.39 0.88 3.74 3.14 0.00 0.12 -4.83 105.19 111.62 2ww0 n GLY 242 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.10 4.16 -0.16 1.61 2.12 -0.06 -4.63 118.70 121.63 2ww0 s GLU 243 Ca 0.00 2.51 -0.06 0.00 0.36 0.00 0.00 54.97 57.78 2ww0 s GLU 243 Cb 0.00 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2ww0 s GLU 243 CO 0.00 -0.61 0.05 -0.65 -0.54 0.00 0.00 175.26 173.51 2ww0 s GLN 244 N -0.08 3.80 -0.14 4.30 -0.21 -1.26 -0.91 119.66 125.17 2ww0 s GLN 244 Ca 0.65 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.69 2ww0 s GLN 244 Cb -0.47 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.41 2ww0 s GLN 244 CO 0.43 0.35 -0.19 0.08 -2.12 0.00 0.00 175.29 173.85 2ww0 s VAL 245 N 0.13 2.41 -0.02 1.09 1.01 -0.33 -4.96 120.40 119.72 2ww0 s VAL 245 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2ww0 s VAL 245 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2ww0 s VAL 245 CO 0.01 0.53 0.15 0.20 0.00 0.00 0.00 175.10 175.99 2ww0 s ASN 246 N 0.69 6.16 -0.12 3.32 0.01 -1.26 -0.73 114.94 123.01 2ww0 s ASN 246 Ca -0.09 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 2ww0 s ASN 246 Cb -0.16 -1.90 0.02 0.00 0.41 0.00 0.00 41.25 39.62 2ww0 s ASN 246 CO 0.02 0.29 -0.10 0.00 -1.51 0.00 0.00 177.10 175.80 2ww0 s ALA 247 N -1.24 1.46 -0.17 0.60 0.00 -0.07 -2.31 121.76 120.03 2ww0 s ALA 247 Ca 0.24 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 2ww0 s ALA 247 Cb -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2ww0 s ALA 247 CO 0.15 -0.36 0.52 1.03 0.00 0.00 0.00 175.76 177.11 2ww0 s ARG 248 N 1.55 4.24 0.03 0.00 0.52 0.35 -1.20 118.95 124.45 2ww0 s ARG 248 Ca 0.03 0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.74 2ww0 s ARG 248 Cb -0.13 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 2ww0 s ARG 248 CO -0.08 -0.06 -0.14 0.42 0.02 0.00 0.00 175.30 175.47 2ww0 s ILE 249 N 1.33 1.09 0.16 1.52 1.01 -0.33 -0.61 121.20 125.38 2ww0 s ILE 249 Ca 0.25 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2ww0 s ILE 249 Cb -0.15 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.36 2ww0 s ILE 249 CO 0.10 0.02 0.46 0.00 0.00 0.00 0.00 174.94 175.52 2ww0 s ALA 250 N -0.81 -0.89 0.18 9.38 0.00 -0.90 -0.65 121.76 128.07 2ww0 s ALA 250 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2ww0 s ALA 250 Cb -0.08 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2ww0 s ALA 250 CO 0.01 -0.73 0.27 -1.54 0.00 0.00 0.00 175.76 173.78 2ww0 s SER 251 N -2.85 0.06 0.09 0.00 1.04 -1.22 -1.38 113.70 109.44 2ww0 s SER 251 Ca 0.07 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 2ww0 s SER 251 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2ww0 s SER 251 CO -0.07 -0.91 0.12 -0.55 0.98 0.00 0.00 173.24 172.81 2ww0 s SER 252 N -3.00 0.25 0.00 7.02 0.15 0.38 -4.71 113.70 113.79 2ww0 s SER 252 Ca 0.21 -0.85 0.22 0.00 0.70 0.00 0.00 55.95 56.23 2ww0 s SER 252 Cb 0.04 0.30 0.61 0.00 -1.71 0.00 0.00 66.02 65.25 2ww0 s SER 252 CO 0.03 -0.71 1.51 0.49 1.20 0.00 0.00 173.24 175.76 2ww0 n PHE 253 N -0.03 0.89 -0.02 3.44 3.01 -1.26 -0.27 117.46 123.22 2ww0 n PHE 253 Ca -0.13 -0.45 -0.04 0.00 1.01 0.00 0.00 57.45 57.85 2ww0 n PHE 253 Cb 0.62 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.08 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 1.59 1.28 -3.76 4.37 5.41 -1.26 -4.71 119.36 122.28 2ww0 n ILE 254 Ca 0.23 0.28 -0.04 0.00 1.00 0.00 0.00 62.75 64.22 2ww0 n ILE 254 Cb 0.61 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.60 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 -5.87 -0.20 0.18 4.38 1.04 -1.26 -5.00 113.70 106.97 2ww0 s SER 255 Ca -0.13 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 2ww0 s SER 255 Cb 0.02 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2ww0 s SER 255 CO 0.20 -0.97 1.62 -0.26 0.98 0.00 0.00 173.24 174.81 2ww0 h PHE 256 N 2.00 1.17 -0.72 5.02 0.04 -1.94 -0.58 116.94 121.92 2ww0 h PHE 256 Ca -0.23 -0.22 0.09 0.00 2.80 0.00 0.00 57.97 60.41 2ww0 h PHE 256 Cb 1.23 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 39.02 2ww0 h PHE 256 CO 0.39 1.05 0.37 1.49 -0.60 0.00 0.00 178.31 181.00 2ww0 h GLU 257 N 0.95 0.60 -0.23 1.51 4.81 -1.99 -0.49 114.58 119.73 2ww0 h GLU 257 Ca 0.16 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.19 2ww0 h GLU 257 Cb 0.61 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2ww0 h GLU 257 CO 0.04 0.40 -0.51 0.37 -0.73 0.00 0.00 179.01 178.58 2ww0 h GLN 258 N 0.62 0.66 -0.90 1.92 5.75 -1.85 -2.35 115.11 118.96 2ww0 h GLN 258 Ca 0.36 -0.40 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2ww0 h GLN 258 Cb 0.37 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 2ww0 h GLN 258 CO -0.27 1.01 0.59 0.00 -2.65 0.00 0.00 178.83 177.51 2ww0 h ALA 259 N 0.91 1.18 -0.35 3.38 0.00 -0.28 0.31 119.26 124.42 2ww0 h ALA 259 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2ww0 h ALA 259 Cb 1.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2ww0 h ALA 259 CO 0.10 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 2ww0 h ALA 260 N 1.36 1.20 -0.35 0.00 0.00 -0.77 -0.68 119.26 120.01 2ww0 h ALA 260 Ca 0.35 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2ww0 h ALA 260 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ww0 h ALA 260 CO -0.11 0.52 -0.15 0.00 0.00 0.00 0.00 179.25 179.51 2ww0 h ALA 261 N 1.36 0.49 -0.59 0.00 0.00 -0.82 -2.81 119.26 116.89 2ww0 h ALA 261 Ca 0.10 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2ww0 h ALA 261 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ww0 h ALA 261 CO 0.03 0.40 0.39 -0.91 0.00 0.00 0.00 179.25 179.16 2ww0 h ASN 262 N 0.51 0.50 -0.13 0.00 4.21 -0.18 -1.22 115.58 119.27 2ww0 h ASN 262 Ca 0.08 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.63 2ww0 h ASN 262 Cb 0.69 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 2ww0 h ASN 262 CO 0.05 0.33 0.25 -0.03 -1.29 0.00 0.00 177.43 176.74 2ww0 h MET 263 N 0.58 0.00 0.00 0.81 4.05 -0.88 -1.11 114.93 118.38 2ww0 h MET 263 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2ww0 h MET 263 Cb 0.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2ww0 h MET 263 CO -0.07 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.16 2ww0 n ASN 264 N -3.37 0.42 0.28 1.39 5.03 -0.46 -2.22 115.26 116.33 2ww0 n ASN 264 Ca 0.01 0.59 0.13 0.00 0.87 0.00 0.00 54.58 56.17 2ww0 n ASN 264 Cb 0.35 -0.69 0.81 0.00 -1.02 0.00 0.00 39.78 39.24 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 -1.39 -0.78 114.58 121.01 2ww0 h GLU 265 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2ww0 h GLU 265 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2ww0 h GLU 265 CO 0.00 0.03 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.68 2ww0 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.67 -3.49 115.31 114.86 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ww0 h LEU 266 CO 0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2ww0 n GLY 267 N 0.63 3.18 0.62 0.83 0.00 -0.30 -1.89 105.19 108.25 2ww0 n GLY 267 Ca 0.01 -0.17 0.09 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 2.31 -1.92 1.61 4.76 -1.26 -4.98 118.16 132.68 2ww0 n LYS 268 Ca 0.00 -2.77 -0.34 0.00 -2.87 0.00 0.00 58.31 52.33 2ww0 n LYS 268 Cb 0.00 -1.73 0.03 0.00 -1.84 0.00 0.00 35.03 31.50 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 -2.29 5.24 0.60 4.39 1.01 -0.79 -5.07 116.67 119.75 2ww0 s ASP 269 Ca 0.39 2.13 0.09 0.00 0.71 0.00 0.00 52.55 55.87 2ww0 s ASP 269 Cb 0.32 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.78 2ww0 s ASP 269 CO 0.06 -1.55 0.83 0.54 0.21 0.00 0.00 175.17 175.27 2ww0 s ASN 270 N -2.16 4.99 0.17 0.27 2.20 -1.26 -4.90 114.94 114.24 2ww0 s ASN 270 Ca 0.71 -0.86 -0.18 0.00 -0.94 0.00 0.00 52.86 51.58 2ww0 s ASN 270 Cb -0.23 0.38 0.10 0.00 -2.00 0.00 0.00 41.25 39.50 2ww0 s ASN 270 CO 0.36 -1.44 1.64 0.40 -2.94 0.00 0.00 177.10 175.12 2ww0 h ILE 271 N 0.08 0.47 -0.30 0.54 1.08 -1.97 -1.44 117.51 115.97 2ww0 h ILE 271 Ca -0.29 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.22 2ww0 h ILE 271 Cb 1.29 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 2ww0 h ILE 271 CO 0.40 0.00 0.05 -0.33 -0.69 0.00 0.00 178.15 177.58 2ww0 h GLU 272 N -0.08 0.15 -0.46 2.37 3.07 -1.99 0.96 114.58 118.60 2ww0 h GLU 272 Ca 0.20 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 2ww0 h GLU 272 Cb 0.39 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2ww0 h GLU 272 CO -0.46 0.10 -0.21 1.96 -1.40 0.00 0.00 179.01 178.99 2ww0 h GLN 273 N 0.15 0.93 -0.29 2.33 4.20 -1.84 -0.79 115.11 119.80 2ww0 h GLN 273 Ca 0.14 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 2ww0 h GLN 273 Cb 0.16 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2ww0 h GLN 273 CO -0.20 1.04 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.83 2ww0 h LEU 274 N 0.80 0.59 -0.47 1.46 3.38 -0.96 -1.57 115.31 118.54 2ww0 h LEU 274 Ca 0.11 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2ww0 h LEU 274 Cb 0.77 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2ww0 h LEU 274 CO 0.06 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.42 2ww0 h ALA 275 N 0.77 0.43 -0.96 1.53 0.00 -0.69 0.11 119.26 120.43 2ww0 h ALA 275 Ca 0.07 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ww0 h ALA 275 Cb 0.60 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2ww0 h ALA 275 CO 0.03 -0.40 0.63 0.37 0.00 0.00 0.00 179.25 179.89 2ww0 h GLN 276 N 0.10 1.19 -0.35 0.00 5.75 -0.95 0.13 115.11 120.99 2ww0 h GLN 276 Ca 0.23 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.52 2ww0 h GLN 276 Cb 0.35 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2ww0 h GLN 276 CO -0.40 0.79 -0.36 0.87 -2.65 0.00 0.00 178.83 177.08 2ww0 h LYS 277 N 1.23 0.80 -0.45 1.69 1.57 -0.28 -0.02 116.57 121.11 2ww0 h LYS 277 Ca 0.38 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2ww0 h LYS 277 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2ww0 h LYS 277 CO -0.11 1.03 -0.05 0.78 -0.57 0.00 0.00 179.45 180.53 2ww0 h GLY 278 N 0.90 0.88 0.99 3.86 0.00 -0.37 -0.11 103.07 109.22 2ww0 h GLY 278 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2ww0 h GLY 278 CO 0.08 0.63 0.14 1.70 0.00 0.00 0.00 176.54 179.10 2ww0 h LYS 279 N 0.66 0.30 -0.76 4.80 3.64 -0.57 -0.61 116.57 124.01 2ww0 h LYS 279 Ca 0.12 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2ww0 h LYS 279 Cb 0.56 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2ww0 h LYS 279 CO 0.03 0.22 0.45 -0.44 -2.27 0.00 0.00 179.45 177.44 2ww0 h ASP 280 N 0.29 0.68 -0.59 4.20 3.32 -0.87 0.49 116.42 123.95 2ww0 h ASP 280 Ca 0.08 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2ww0 h ASP 280 Cb -0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2ww0 h ASP 280 CO -0.02 0.43 0.29 0.00 -1.72 0.00 0.00 179.24 178.23 2ww0 h ALA 281 N 1.38 0.76 -0.16 3.45 0.00 -0.29 -0.88 119.26 123.52 2ww0 h ALA 281 Ca 0.34 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2ww0 h ALA 281 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ww0 h ALA 281 CO -0.19 0.31 -0.40 -1.49 0.00 0.00 0.00 179.25 177.49 2ww0 h TRP 282 N 0.80 0.71 -0.12 0.00 4.06 -0.71 -3.07 115.95 117.63 2ww0 h TRP 282 Ca 0.20 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 2ww0 h TRP 282 Cb 0.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 2ww0 h TRP 282 CO -0.00 1.02 0.03 -0.91 -3.56 0.00 0.00 178.44 175.02 2ww0 h ASN 283 N 0.20 0.14 -0.63 -3.49 -0.26 -0.77 0.20 115.58 110.96 2ww0 h ASN 283 Ca -0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 2ww0 h ASN 283 Cb 1.01 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.20 2ww0 h ASN 283 CO 0.09 0.15 0.35 -0.61 -1.06 0.00 0.00 177.43 176.34 2ww0 h GLN 284 N 0.16 0.89 0.07 0.81 5.75 -1.06 0.11 115.11 121.84 2ww0 h GLN 284 Ca 0.04 -0.09 -0.36 0.00 -0.15 0.00 0.00 58.65 58.09 2ww0 h GLN 284 Cb 0.07 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2ww0 h GLN 284 CO -0.00 0.66 -2.11 1.33 -2.65 0.00 0.00 178.83 176.06 2ww0 n VAL 285 N -4.38 1.66 0.01 2.39 0.24 -0.60 -4.08 118.33 113.56 2ww0 n VAL 285 Ca 0.06 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2ww0 n VAL 285 Cb 0.10 -1.46 0.31 0.00 -1.47 0.00 0.00 33.84 31.32 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 0.47 -0.20 1.34 3.38 -0.67 -2.93 115.31 116.74 2ww0 h LEU 286 Ca -0.45 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2ww0 h LEU 286 Cb 2.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2ww0 h LEU 286 CO 0.04 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2ww0 n GLY 287 N -0.90 -1.06 0.14 0.83 0.00 0.39 -2.34 105.19 102.25 2ww0 n GLY 287 Ca 0.01 -0.01 0.11 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 -1.71 0.17 -3.65 1.61 4.76 -1.11 -4.15 118.16 114.08 2ww0 n LYS 288 Ca 0.03 0.49 -0.29 0.00 -2.87 0.00 0.00 58.31 55.67 2ww0 n LYS 288 Cb 0.18 -1.89 -0.15 0.00 -1.84 0.00 0.00 35.03 31.33 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 -3.39 0.61 -0.10 -0.18 1.01 -0.99 -1.06 121.20 117.10 2ww0 s ILE 289 Ca 0.02 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 2ww0 s ILE 289 Cb 0.08 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2ww0 s ILE 289 CO 0.32 -0.74 0.39 -1.61 0.00 0.00 0.00 174.94 173.29 2ww0 s GLU 290 N 1.57 4.17 0.07 2.79 2.02 -0.70 -4.93 118.70 123.69 2ww0 s GLU 290 Ca 0.11 0.30 0.09 0.00 0.02 0.00 0.00 54.97 55.49 2ww0 s GLU 290 Cb -0.18 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2ww0 s GLU 290 CO -0.23 0.35 -0.24 0.14 0.02 0.00 0.00 175.26 175.29 2ww0 s VAL 291 N 0.06 1.95 0.17 2.63 -7.23 -1.26 -0.37 120.40 116.35 2ww0 s VAL 291 Ca 0.22 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2ww0 s VAL 291 Cb -0.15 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2ww0 s VAL 291 CO 0.09 0.21 0.16 -1.61 -0.31 0.00 0.00 175.10 173.63 2ww0 s GLU 292 N -1.46 1.11 -0.47 4.82 2.02 0.19 -4.95 118.70 119.97 2ww0 s GLU 292 Ca 0.10 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.64 2ww0 s GLU 292 Cb -0.10 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.43 2ww0 s GLU 292 CO 0.03 -0.37 0.39 0.41 0.02 0.00 0.00 175.26 175.75 2ww0 n GLY 293 N -0.20 0.17 3.37 -1.39 0.00 -1.26 -2.42 105.19 103.47 2ww0 n GLY 293 Ca -0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.46 1.62 0.56 -0.02 0.00 -1.26 -2.76 107.32 102.00 2ww0 s GLY 294 Ca 0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 2ww0 s GLY 294 CO 0.28 -1.19 0.83 0.54 0.00 0.00 0.00 173.10 173.56 2ww0 s ASN 295 N -3.23 5.42 0.34 1.64 2.20 -1.26 -4.92 114.94 115.13 2ww0 s ASN 295 Ca 0.35 0.35 0.03 0.00 -0.94 0.00 0.00 52.86 52.65 2ww0 s ASN 295 Cb 0.02 -1.32 0.64 0.00 -2.00 0.00 0.00 41.25 38.59 2ww0 s ASN 295 CO 0.19 -1.09 1.97 0.25 -2.94 0.00 0.00 177.10 175.48 2ww0 h LEU 296 N -0.04 0.76 -0.83 3.54 5.85 -2.02 -1.12 115.31 121.46 2ww0 h LEU 296 Ca -0.44 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2ww0 h LEU 296 Cb 1.28 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2ww0 h LEU 296 CO 0.57 0.51 0.52 0.44 -0.34 0.00 0.00 178.44 180.15 2ww0 h ASP 297 N 0.88 0.83 -0.28 1.25 3.32 -1.99 -1.56 116.42 118.87 2ww0 h ASP 297 Ca 0.30 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 2ww0 h ASP 297 Cb 0.10 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2ww0 h ASP 297 CO -0.09 0.55 -0.30 1.56 -1.72 0.00 0.00 179.24 179.24 2ww0 h GLN 298 N 0.97 0.69 -0.26 3.56 4.20 -1.61 0.24 115.11 122.90 2ww0 h GLN 298 Ca 0.35 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.73 2ww0 h GLN 298 Cb 0.11 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2ww0 h GLN 298 CO -0.15 0.99 0.00 1.88 -0.67 0.00 0.00 178.83 180.88 2ww0 h TYR 299 N 0.42 -0.01 -0.22 2.96 0.05 -1.11 0.22 116.97 119.28 2ww0 h TYR 299 Ca 0.04 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2ww0 h TYR 299 Cb 0.87 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 2ww0 h TYR 299 CO 0.07 -0.04 0.09 0.00 -1.05 0.00 0.00 178.16 177.23 2ww0 h ARG 300 N 0.08 0.32 -0.60 4.88 3.08 -1.07 0.54 114.38 121.61 2ww0 h ARG 300 Ca 0.12 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2ww0 h ARG 300 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2ww0 h ARG 300 CO -0.20 0.38 0.36 1.15 -1.07 0.00 0.00 179.97 180.58 2ww0 h THR 301 N 0.20 1.05 -0.04 2.04 2.02 -0.25 -1.37 112.91 116.56 2ww0 h THR 301 Ca 0.07 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2ww0 h THR 301 Cb 0.18 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2ww0 h THR 301 CO -0.01 0.13 -0.00 0.15 0.37 0.00 0.00 175.52 176.16 2ww0 h PHE 302 N 0.70 0.07 0.00 3.16 3.57 -0.08 -1.84 116.94 122.52 2ww0 h PHE 302 Ca 0.25 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 2ww0 h PHE 302 Cb 0.06 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2ww0 h PHE 302 CO -0.06 0.38 -0.75 1.88 -2.23 0.00 0.00 178.31 177.53 2ww0 h TYR 303 N -0.26 0.00 -0.56 0.41 0.05 -0.86 -1.29 116.97 114.47 2ww0 h TYR 303 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ww0 h TYR 303 Cb 0.35 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 2ww0 h TYR 303 CO 0.04 0.75 0.31 0.77 -1.05 0.00 0.00 178.16 178.98 2ww0 h SER 304 N 0.00 0.69 -0.49 3.88 0.02 -1.25 -0.33 113.55 116.07 2ww0 h SER 304 Ca -0.01 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2ww0 h SER 304 Cb 1.37 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2ww0 h SER 304 CO 0.10 0.58 0.19 0.00 -1.14 0.00 0.00 176.83 176.55 2ww0 h LEU 306 N 0.65 0.94 -0.55 0.00 5.85 -1.02 -1.77 115.31 119.41 2ww0 h LEU 306 Ca 0.16 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2ww0 h LEU 306 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2ww0 h LEU 306 CO -0.01 0.75 0.35 0.22 -0.34 0.00 0.00 178.44 179.41 2ww0 h TYR 307 N 1.05 0.65 0.00 1.25 3.20 -0.74 -1.33 116.97 121.06 2ww0 h TYR 307 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2ww0 h TYR 307 Cb 0.00 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2ww0 h TYR 307 CO -0.00 0.39 0.00 0.54 -1.64 0.00 0.00 178.16 177.45 2ww0 n ARG 308 N -4.74 0.14 -0.08 1.82 5.12 -0.30 -1.91 116.66 116.72 2ww0 n ARG 308 Ca 0.04 0.49 0.12 0.00 -1.93 0.00 0.00 57.85 56.57 2ww0 n ARG 308 Cb 0.05 -1.84 0.28 0.00 -1.16 0.00 0.00 32.46 29.80 2ww0 n ARG 308 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ww0 n SER 309 N -2.12 2.52 -0.42 0.55 7.64 -0.51 -3.68 113.62 117.60 2ww0 n SER 309 Ca 0.01 -1.83 0.07 0.00 1.01 0.00 0.00 58.87 58.13 2ww0 n SER 309 Cb 0.14 -0.10 0.16 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.91 2.29 -0.09 -3.43 4.77 -0.80 -4.74 117.00 115.91 2ww0 n LEU 310 Ca 0.17 -3.27 -0.17 0.00 -0.03 0.00 0.00 56.01 52.71 2ww0 n LEU 310 Cb 0.49 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2ww0 n LEU 310 CO 0.15 0.98 -1.10 0.18 -1.33 0.00 0.00 177.39 176.28 2ww0 n LEU 311 N -1.10 1.83 -4.95 2.23 4.77 -1.25 -0.89 117.00 117.64 2ww0 n LEU 311 Ca 0.16 0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 2ww0 n LEU 311 Cb 0.70 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2ww0 n LEU 311 CO -0.02 0.51 0.16 -0.36 -1.33 0.00 0.00 177.39 176.35 2ww0 s PHE 312 N -2.33 1.54 0.23 -1.77 0.40 -1.26 -3.65 117.98 111.14 2ww0 s PHE 312 Ca -0.24 -0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 55.14 2ww0 s PHE 312 Cb 0.08 -2.02 -0.10 0.00 0.51 0.00 0.00 43.02 41.49 2ww0 s PHE 312 CO 0.34 -0.73 0.11 -0.35 0.70 0.00 0.00 175.22 175.30 2ww0 n PRO 313 N -1.94 0.00 -2.71 0.24 -0.04 -1.26 -5.00 135.00 124.29 2ww0 n PRO 313 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 2ww0 n PRO 313 Cb 0.63 -0.64 -0.02 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.64 3.73 0.28 0.54 1.70 -0.31 -4.75 118.95 119.51 2ww0 s ARG 314 Ca 0.39 0.47 -0.30 0.00 -0.47 0.00 0.00 55.73 55.82 2ww0 s ARG 314 Cb -0.45 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 31.48 2ww0 s ARG 314 CO 0.39 -0.12 1.45 0.15 -1.08 0.00 0.00 175.30 176.09 2ww0 s LYS 315 N -4.12 4.24 -0.18 3.89 1.02 -0.27 -1.82 119.74 122.51 2ww0 s LYS 315 Ca 0.51 2.35 0.14 0.00 0.02 0.00 0.00 55.97 58.99 2ww0 s LYS 315 Cb -0.10 -3.08 0.38 0.00 -0.52 0.00 0.00 37.83 34.50 2ww0 s LYS 315 CO 0.35 -0.43 1.19 0.34 -0.92 0.00 0.00 175.35 175.89 2ww0 n PHE 316 N 1.90 0.00 -4.37 3.18 7.35 0.23 -3.98 117.46 121.77 2ww0 n PHE 316 Ca 0.05 -1.31 -0.24 0.00 -0.76 0.00 0.00 57.45 55.20 2ww0 n PHE 316 Cb 0.40 -0.21 -0.11 0.00 0.35 0.00 0.00 39.48 39.90 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 -3.02 2.04 0.09 -5.13 -0.85 -1.20 -4.41 117.35 104.87 2ww0 s TYR 317 Ca 0.36 -0.41 0.06 0.00 -0.52 0.00 0.00 57.07 56.55 2ww0 s TYR 317 Cb 0.34 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 2ww0 s TYR 317 CO -0.04 0.41 -0.14 -1.21 -1.52 0.00 0.00 175.55 173.05 2ww0 s GLU 318 N -2.73 0.92 -0.06 -3.49 2.02 -0.26 -4.95 118.70 110.15 2ww0 s GLU 318 Ca 0.18 -1.09 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 2ww0 s GLU 318 Cb -0.07 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 2ww0 s GLU 318 CO 0.08 0.18 0.58 -0.51 0.02 0.00 0.00 175.26 175.62 2ww0 s LEU 319 N -2.06 4.34 0.00 1.80 1.02 -1.26 -1.12 118.68 121.39 2ww0 s LEU 319 Ca 0.03 1.04 -0.01 0.00 0.02 0.00 0.00 54.13 55.22 2ww0 s LEU 319 Cb -0.08 -2.88 0.03 0.00 0.02 0.00 0.00 46.19 43.28 2ww0 s LEU 319 CO 0.03 0.01 0.18 -0.90 0.02 0.00 0.00 176.35 175.68 2ww0 n ASP 320 N 3.34 0.14 0.12 2.29 5.68 0.02 -4.85 116.55 123.29 2ww0 n ASP 320 Ca -0.05 -1.14 0.12 0.00 -0.50 0.00 0.00 54.79 53.21 2ww0 n ASP 320 Cb 0.51 -0.12 0.63 0.00 -1.14 0.00 0.00 41.12 41.00 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 -1.01 2.15 -0.59 2.12 0.00 -1.98 0.74 119.26 120.69 2ww0 h ALA 321 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ww0 h ALA 321 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ww0 h ALA 321 CO 0.05 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.18 2ww0 n ASN 322 N -4.47 4.18 -0.30 0.00 3.02 -1.26 -4.91 115.26 111.52 2ww0 n ASN 322 Ca 0.03 -2.34 -0.04 0.00 -0.03 0.00 0.00 54.58 52.20 2ww0 n ASN 322 Cb 0.29 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 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 1.12 0.59 3.80 7.41 0.00 0.25 -5.00 105.19 113.36 2ww0 n GLY 323 Ca 0.23 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.71 4.37 0.19 1.61 -1.52 -1.26 -4.69 119.66 116.66 2ww0 s GLN 324 Ca 0.00 0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 54.08 2ww0 s GLN 324 Cb 0.00 -3.07 -0.08 0.00 -0.22 0.00 0.00 33.01 29.63 2ww0 s GLN 324 CO 0.00 0.50 1.24 -1.25 -0.25 0.00 0.00 175.29 175.52 2ww0 s PRO 325 N -1.54 4.46 0.13 2.91 0.04 -1.26 -0.80 135.00 138.93 2ww0 s PRO 325 Ca 0.38 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 2ww0 s PRO 325 Cb -0.20 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2ww0 s PRO 325 CO 0.23 -0.14 0.05 0.96 0.04 0.00 0.00 177.00 178.14 2ww0 s ILE 326 N -0.04 0.12 -0.01 0.56 -4.36 -0.28 -1.30 121.20 115.88 2ww0 s ILE 326 Ca 0.54 -1.91 -0.19 0.00 -0.26 0.00 0.00 60.65 58.83 2ww0 s ILE 326 Cb -0.34 -2.03 0.04 0.00 1.25 0.00 0.00 42.46 41.38 2ww0 s ILE 326 CO 0.38 -0.49 0.41 -1.38 0.24 0.00 0.00 174.94 174.10 2ww0 s HIS 327 N -4.04 -0.30 0.08 1.37 -3.43 0.72 -1.10 115.29 108.59 2ww0 s HIS 327 Ca 0.23 0.44 -0.30 0.00 -0.80 0.00 0.00 55.06 54.63 2ww0 s HIS 327 Cb 0.07 0.18 -0.06 0.00 -1.43 0.00 0.00 32.58 31.35 2ww0 s HIS 327 CO 0.01 -0.47 1.13 -0.47 -2.00 0.00 0.00 174.74 172.94 2ww0 s TYR 328 N -1.53 3.53 -0.36 0.38 5.04 -1.26 -0.84 117.35 122.31 2ww0 s TYR 328 Ca -0.11 1.46 -0.24 0.00 -2.44 0.00 0.00 57.07 55.74 2ww0 s TYR 328 Cb -0.03 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 38.97 2ww0 s TYR 328 CO 0.04 -0.84 0.81 0.45 -1.34 0.00 0.00 175.55 174.68 2ww0 s SER 329 N 0.75 6.59 0.00 4.32 0.15 0.67 -4.88 113.70 121.30 2ww0 s SER 329 Ca 0.55 0.43 0.23 0.00 0.70 0.00 0.00 55.95 57.86 2ww0 s SER 329 Cb -0.28 -2.41 1.26 0.00 -1.71 0.00 0.00 66.02 62.88 2ww0 s SER 329 CO 0.30 -0.75 1.75 -0.81 1.20 0.00 0.00 173.24 174.93 2ww0 n PRO 330 N 6.47 0.52 -0.10 5.44 -0.05 -1.26 0.55 135.00 146.58 2ww0 n PRO 330 Ca 0.04 0.04 -0.17 0.00 -0.05 0.00 0.00 63.50 63.36 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 -1.15 0.28 -0.63 0.54 4.01 -1.26 -3.98 117.16 114.97 2ww0 n TYR 331 Ca 0.14 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2ww0 n TYR 331 Cb 0.13 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 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 -3.20 0.53 0.00 7.72 0.23 -1.20 -4.88 115.26 114.46 2ww0 n ASN 332 Ca -0.40 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 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 -0.08 0.39 3.95 4.83 0.00 0.19 -4.99 105.19 109.47 2ww0 n GLY 333 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.63 2.95 -0.25 1.61 -0.21 -1.26 -4.73 119.66 117.13 2ww0 s GLN 334 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 55.36 54.85 2ww0 s GLN 334 Cb 0.00 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.48 2ww0 s GLN 334 CO 0.00 -0.43 0.15 0.08 -2.12 0.00 0.00 175.29 172.97 2ww0 s VAL 335 N -2.68 5.15 0.17 1.09 1.01 -1.26 -0.24 120.40 123.64 2ww0 s VAL 335 Ca 0.51 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2ww0 s VAL 335 Cb -0.10 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2ww0 s VAL 335 CO 0.39 0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 174.99 2ww0 s LEU 336 N 1.33 2.40 0.61 3.92 1.43 -0.02 -4.94 118.68 123.41 2ww0 s LEU 336 Ca 0.07 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 51.94 2ww0 s LEU 336 Cb -0.15 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 2ww0 s LEU 336 CO 0.06 -0.41 1.05 -2.16 0.23 0.00 0.00 176.35 175.13 2ww0 s PRO 337 N -3.80 3.27 0.00 1.29 0.04 -1.26 -0.20 135.00 134.34 2ww0 s PRO 337 Ca 0.20 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2ww0 s PRO 337 Cb 0.04 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ww0 s PRO 337 CO 0.03 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2ww0 n GLY 338 N -1.33 1.23 3.77 0.56 0.00 -0.42 -4.78 105.19 104.22 2ww0 n GLY 338 Ca 0.08 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.17 2.61 -0.27 1.61 2.02 -1.26 -4.13 117.35 115.75 2ww0 s TYR 339 Ca 0.00 1.55 -0.19 0.00 -0.37 0.00 0.00 57.07 58.06 2ww0 s TYR 339 Cb 0.00 -3.11 0.07 0.00 -0.40 0.00 0.00 41.96 38.53 2ww0 s TYR 339 CO 0.00 -1.73 0.68 1.41 -1.57 0.00 0.00 175.55 174.34 2ww0 s MET 340 N -4.48 0.74 0.16 -0.62 -2.45 -1.26 -4.14 119.30 107.24 2ww0 s MET 340 Ca 0.64 1.11 0.04 0.00 -1.25 0.00 0.00 55.69 56.23 2ww0 s MET 340 Cb -0.19 0.23 -0.05 0.00 1.25 0.00 0.00 34.83 36.08 2ww0 s MET 340 CO 0.48 -0.13 -0.08 -0.06 1.05 0.00 0.00 175.02 176.29 2ww0 s PHE 341 N 1.13 1.32 0.34 4.11 0.40 -1.26 0.77 117.98 124.79 2ww0 s PHE 341 Ca -0.06 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.29 2ww0 s PHE 341 Cb -0.05 -0.69 0.05 0.00 0.51 0.00 0.00 43.02 42.84 2ww0 s PHE 341 CO -0.11 0.05 0.82 -0.08 0.70 0.00 0.00 175.22 176.59 2ww0 s THR 342 N -3.36 0.00 -0.18 0.64 -1.32 -0.75 -4.84 115.64 105.82 2ww0 s THR 342 Ca 0.19 -0.93 -0.00 0.00 -1.21 0.00 0.00 61.69 59.74 2ww0 s THR 342 Cb 0.03 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 2ww0 s THR 342 CO 0.02 0.00 0.15 0.47 -2.21 0.00 0.00 174.62 173.05 2ww0 n ASP 343 N -1.21 -2.03 -3.77 8.08 8.00 0.26 -1.16 116.55 124.72 2ww0 n ASP 343 Ca -0.07 -0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 2ww0 n ASP 343 Cb 0.60 -1.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.42 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 -3.05 0.05 -0.23 -3.53 -1.32 -1.15 -4.22 115.64 102.18 2ww0 s THR 344 Ca 0.00 -0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.00 2ww0 s THR 344 Cb -0.00 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.40 2ww0 s THR 344 CO 0.11 -0.24 0.00 -0.83 -2.21 0.00 0.00 174.62 171.45 2ww0 s GLY 345 N -1.14 1.67 0.35 6.08 0.00 -1.26 -2.81 107.32 110.21 2ww0 s GLY 345 Ca -0.12 -1.17 0.11 0.00 0.00 0.00 0.00 44.72 43.54 2ww0 s GLY 345 CO 0.04 0.48 1.79 0.74 0.00 0.00 0.00 173.10 176.14 2ww0 h PHE 346 N 8.16 0.06 -0.82 1.90 0.04 -1.56 -1.03 116.94 123.70 2ww0 h PHE 346 Ca -0.40 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 60.56 2ww0 h PHE 346 Cb 1.16 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.25 2ww0 h PHE 346 CO 0.62 0.44 0.56 2.35 -0.60 0.00 0.00 178.31 181.68 2ww0 h TRP 347 N 0.05 0.31 0.00 -0.55 7.01 -1.83 -1.29 115.95 119.65 2ww0 h TRP 347 Ca 0.00 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 2ww0 h TRP 347 Cb 0.72 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 2ww0 h TRP 347 CO 0.00 0.09 -0.60 -0.44 -2.79 0.00 0.00 178.44 174.71 2ww0 h ASP 348 N 0.24 0.00 0.09 2.65 3.45 -1.71 -3.43 116.42 117.71 2ww0 h ASP 348 Ca 0.41 -0.74 0.00 0.00 0.43 0.00 0.00 57.03 57.13 2ww0 h ASP 348 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2ww0 h ASP 348 CO -0.10 1.22 -0.39 0.35 -1.57 0.00 0.00 179.24 178.75 2ww0 n THR 349 N -4.53 0.00 0.12 0.35 -2.24 -0.48 -3.76 114.28 103.75 2ww0 n THR 349 Ca -0.20 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 2ww0 n THR 349 Cb 0.56 0.90 0.23 0.00 -2.10 0.00 0.00 70.33 69.92 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 1.90 0.16 -0.03 4.78 -0.00 -1.50 -2.16 116.94 120.09 2ww0 h PHE 350 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 57.97 57.93 2ww0 h PHE 350 Cb 0.65 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.56 2ww0 h PHE 350 CO 0.00 0.59 -0.04 0.00 -0.00 0.00 0.00 178.31 178.86 2ww0 h ARG 351 N 0.11 -0.05 0.00 6.09 3.08 -1.81 -3.42 114.38 118.38 2ww0 h ARG 351 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ww0 h ARG 351 Cb 0.88 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2ww0 h ARG 351 CO 0.07 -0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 2ww0 h LEU 353 N 0.00 -0.16 -0.24 0.00 7.12 -1.79 -1.23 115.31 119.01 2ww0 h LEU 353 Ca 0.00 -0.14 -0.07 0.00 0.13 0.00 0.00 57.88 57.80 2ww0 h LEU 353 Cb 0.00 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 2ww0 h LEU 353 CO 0.00 0.04 -0.12 -0.26 -0.13 0.00 0.00 178.44 177.97 2ww0 h PHE 354 N -0.36 0.58 -1.01 1.25 0.04 -1.65 -2.57 116.94 113.22 2ww0 h PHE 354 Ca -0.02 -0.15 0.25 0.00 2.80 0.00 0.00 57.97 60.85 2ww0 h PHE 354 Cb 0.29 -0.13 -0.12 0.00 2.20 0.00 0.00 35.95 38.18 2ww0 h PHE 354 CO -0.01 0.78 0.61 -1.35 -0.60 0.00 0.00 178.31 177.73 2ww0 h PRO 355 N 0.22 0.54 -0.46 1.51 0.11 -1.80 1.00 132.00 133.12 2ww0 h PRO 355 Ca 0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2ww0 h PRO 355 Cb 0.63 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2ww0 h PRO 355 CO 0.04 0.35 0.13 1.25 -0.21 0.00 0.00 178.00 179.56 2ww0 h LEU 356 N 0.55 0.62 -0.52 2.35 5.85 -0.82 -1.39 115.31 121.95 2ww0 h LEU 356 Ca 0.64 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.20 2ww0 h LEU 356 Cb 1.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2ww0 h LEU 356 CO -0.45 0.60 0.03 -0.07 -0.34 0.00 0.00 178.44 178.21 2ww0 h LEU 357 N 0.66 0.87 -1.43 2.25 3.38 0.12 -1.27 115.31 119.91 2ww0 h LEU 357 Ca 0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2ww0 h LEU 357 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ww0 h LEU 357 CO -0.01 0.95 -0.04 0.78 0.09 0.00 0.00 178.44 180.22 2ww0 h ASN 358 N 0.77 0.30 0.03 -0.43 -0.26 -0.79 0.76 115.58 115.97 2ww0 h ASN 358 Ca 0.15 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2ww0 h ASN 358 Cb 0.49 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2ww0 h ASN 358 CO 0.02 0.39 -0.02 0.25 -1.06 0.00 0.00 177.43 177.02 2ww0 h LEU 359 N 0.32 -0.04 0.00 1.61 5.85 -0.90 -3.39 115.31 118.76 2ww0 h LEU 359 Ca 0.07 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2ww0 h LEU 359 Cb 0.28 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2ww0 h LEU 359 CO 0.01 0.67 -0.98 0.23 -0.34 0.00 0.00 178.44 178.02 2ww0 n MET 360 N -4.77 1.95 -2.71 1.25 2.81 -0.51 -4.75 117.12 110.40 2ww0 n MET 360 Ca -0.09 -0.05 -0.07 0.00 -1.81 0.00 0.00 57.70 55.69 2ww0 n MET 360 Cb 0.33 -1.10 0.04 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.55 0.95 -0.22 2.03 4.01 0.24 -4.53 117.16 118.08 2ww0 n TYR 361 Ca -0.00 -2.57 0.02 0.00 -0.16 0.00 0.00 57.90 55.19 2ww0 n TYR 361 Cb 0.21 -0.22 0.26 0.00 -0.31 0.00 0.00 39.34 39.28 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 2.82 0.95 -0.72 -0.72 0.13 -0.91 -1.24 132.00 132.31 2ww0 h PRO 362 Ca -0.12 -0.06 0.15 0.00 -0.87 0.00 0.00 66.00 65.10 2ww0 h PRO 362 Cb 1.21 -0.21 -0.11 0.00 0.13 0.00 0.00 31.00 32.02 2ww0 h PRO 362 CO 0.38 0.63 0.15 0.66 -0.23 0.00 0.00 178.00 179.59 2ww0 h SER 363 N 0.98 -0.03 -0.30 1.44 4.64 -1.92 0.87 113.55 119.23 2ww0 h SER 363 Ca 0.30 0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.66 2ww0 h SER 363 Cb -0.01 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2ww0 h SER 363 CO -0.08 -0.05 -0.20 0.58 -0.87 0.00 0.00 176.83 176.21 2ww0 h VAL 364 N 0.24 1.30 0.00 0.95 2.07 -1.60 -3.03 116.25 116.18 2ww0 h VAL 364 Ca 0.40 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2ww0 h VAL 364 Cb 0.67 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2ww0 h VAL 364 CO -0.51 0.43 -0.16 -1.13 0.02 0.00 0.00 177.57 176.21 2ww0 h ASN 365 N 0.42 0.00 -0.20 0.57 -1.24 -0.74 -2.19 115.58 112.19 2ww0 h ASN 365 Ca 0.06 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.09 2ww0 h ASN 365 Cb 0.75 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2ww0 h ASN 365 CO 0.06 0.16 0.08 0.50 -1.29 0.00 0.00 177.43 176.94 2ww0 h LYS 366 N 0.00 0.17 -0.64 6.67 1.63 -0.74 0.33 116.57 123.99 2ww0 h LYS 366 Ca -0.00 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2ww0 h LYS 366 Cb 0.47 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 2ww0 h LYS 366 CO 0.02 0.12 0.38 0.93 -3.45 0.00 0.00 179.45 177.45 2ww0 h GLU 367 N 0.18 0.71 -0.68 1.90 5.08 -1.41 -1.56 114.58 118.79 2ww0 h GLU 367 Ca 0.08 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2ww0 h GLU 367 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2ww0 h GLU 367 CO -0.08 0.47 0.14 0.52 -1.00 0.00 0.00 179.01 179.06 2ww0 h MET 368 N 0.73 1.11 -0.34 2.33 2.86 -0.93 -1.30 114.93 119.39 2ww0 h MET 368 Ca 0.27 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2ww0 h MET 368 Cb 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2ww0 h MET 368 CO -0.14 0.99 0.03 1.96 1.06 0.00 0.00 176.91 180.82 2ww0 h GLN 369 N 1.04 0.57 -0.90 1.72 1.08 -0.02 -1.27 115.11 117.34 2ww0 h GLN 369 Ca 0.21 -0.17 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2ww0 h GLN 369 Cb 0.40 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 2ww0 h GLN 369 CO 0.01 0.67 0.58 0.93 -0.95 0.00 0.00 178.83 180.07 2ww0 h GLU 370 N 0.40 0.97 -0.96 1.46 4.39 -1.09 0.26 114.58 120.00 2ww0 h GLU 370 Ca 0.10 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2ww0 h GLU 370 Cb 0.39 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 2ww0 h GLU 370 CO 0.01 0.64 0.64 0.78 -1.16 0.00 0.00 179.01 179.92 2ww0 h GLY 371 N 1.00 1.36 1.01 -3.84 0.00 -0.60 -2.34 103.07 99.66 2ww0 h GLY 371 Ca 0.39 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 2ww0 h GLY 371 CO -0.15 0.49 0.18 1.41 0.00 0.00 0.00 176.54 178.47 2ww0 h LEU 372 N 1.30 0.91 -0.66 3.11 3.38 0.18 -0.69 115.31 122.83 2ww0 h LEU 372 Ca 0.36 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.21 2ww0 h LEU 372 Cb -0.14 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.30 2ww0 h LEU 372 CO -0.08 0.88 0.28 0.40 0.09 0.00 0.00 178.44 180.01 2ww0 h ILE 373 N 0.88 0.79 -0.29 1.22 1.08 -0.97 -0.92 117.51 119.30 2ww0 h ILE 373 Ca 0.20 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2ww0 h ILE 373 Cb 0.31 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2ww0 h ILE 373 CO -0.00 0.09 -0.09 0.78 -0.69 0.00 0.00 178.15 178.23 2ww0 h ASN 374 N 0.48 0.45 -0.51 1.72 -0.26 -0.87 -1.08 115.58 115.51 2ww0 h ASN 374 Ca 0.33 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 2ww0 h ASN 374 Cb 0.39 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 2ww0 h ASN 374 CO -0.30 0.59 0.29 0.74 -1.06 0.00 0.00 177.43 177.69 2ww0 h THR 375 N 0.44 1.17 -0.21 2.81 2.02 0.13 0.67 112.91 119.94 2ww0 h THR 375 Ca 0.09 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2ww0 h THR 375 Cb 0.44 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2ww0 h THR 375 CO 0.02 0.17 0.11 0.22 0.37 0.00 0.00 175.52 176.42 2ww0 h TYR 376 N 0.68 0.29 -0.94 3.16 3.20 -0.84 0.25 116.97 122.77 2ww0 h TYR 376 Ca 0.18 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2ww0 h TYR 376 Cb 0.02 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2ww0 h TYR 376 CO -0.02 0.28 0.61 -0.07 -1.64 0.00 0.00 178.16 177.33 2ww0 h LEU 377 N 0.22 1.03 0.00 2.82 3.38 -0.91 0.30 115.31 122.15 2ww0 h LEU 377 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ww0 h LEU 377 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2ww0 h LEU 377 CO -0.01 0.71 -0.74 -0.33 0.09 0.00 0.00 178.44 178.15 2ww0 h GLU 378 N 1.20 0.00 0.00 1.13 5.08 -0.68 -3.40 114.58 117.91 2ww0 h GLU 378 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2ww0 h GLU 378 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ww0 h GLU 378 CO -0.12 0.08 -1.32 -1.13 -1.00 0.00 0.00 179.01 175.53 2ww0 n SER 379 N -2.87 3.83 0.00 1.42 3.41 0.86 -4.37 113.62 115.90 2ww0 n SER 379 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ww0 n SER 379 Cb 0.60 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 2.68 3.00 3.27 5.00 0.00 0.10 -5.03 105.19 114.21 2ww0 n GLY 380 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.51 1.43 0.45 1.61 0.40 -1.25 -4.97 117.98 113.13 2ww0 s PHE 381 Ca 0.00 -0.62 -0.21 0.00 -0.60 0.00 0.00 56.93 55.51 2ww0 s PHE 381 Cb 0.00 -0.72 -0.10 0.00 0.51 0.00 0.00 43.02 42.71 2ww0 s PHE 381 CO 0.00 0.17 0.97 -0.06 0.70 0.00 0.00 175.22 177.01 2ww0 s PHE 382 N -2.66 3.23 0.48 0.36 0.08 -1.26 -3.26 117.98 114.95 2ww0 s PHE 382 Ca 0.14 1.59 -0.17 0.00 0.12 0.00 0.00 56.93 58.62 2ww0 s PHE 382 Cb -0.02 -2.90 -0.08 0.00 -0.57 0.00 0.00 43.02 39.44 2ww0 s PHE 382 CO 0.03 -0.31 0.96 -1.25 -0.10 0.00 0.00 175.22 174.55 2ww0 s PRO 383 N -3.24 4.00 -0.02 0.24 0.04 -1.26 -4.56 135.00 130.20 2ww0 s PRO 383 Ca 0.63 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 2ww0 s PRO 383 Cb -0.11 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2ww0 s PRO 383 CO 0.16 -0.19 -0.15 0.39 0.04 0.00 0.00 177.00 177.24 2ww0 n GLU 384 N -1.33 0.23 -4.48 4.56 -0.58 -1.26 -4.59 120.64 113.19 2ww0 n GLU 384 Ca 0.06 0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.56 2ww0 n GLU 384 Cb 0.54 -0.90 -0.15 0.00 -0.57 0.00 0.00 31.44 30.36 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 -2.39 2.80 -0.09 -0.32 -0.00 -1.26 -1.33 118.94 116.36 2ww0 s TRP 385 Ca -0.13 -1.00 0.01 0.00 -0.00 0.00 0.00 56.10 54.98 2ww0 s TRP 385 Cb 0.02 -1.91 0.02 0.00 -0.00 0.00 0.00 33.47 31.60 2ww0 s TRP 385 CO 0.19 -0.46 -0.10 0.00 -0.00 0.00 0.00 176.95 176.58 2ww0 s ALA 386 N 0.84 1.32 -0.25 5.86 0.00 -1.12 -1.17 121.76 127.23 2ww0 s ALA 386 Ca -0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 2ww0 s ALA 386 Cb -0.15 -0.75 0.13 0.00 0.00 0.00 0.00 23.12 22.35 2ww0 s ALA 386 CO -0.00 -0.16 0.49 0.45 0.00 0.00 0.00 175.76 176.54 2ww0 s SER 387 N 1.19 -0.53 0.25 0.00 0.15 -1.26 -0.57 113.70 112.91 2ww0 s SER 387 Ca -0.05 0.89 0.05 0.00 0.70 0.00 0.00 55.95 57.54 2ww0 s SER 387 Cb -0.14 1.65 0.69 0.00 -1.71 0.00 0.00 66.02 66.51 2ww0 s SER 387 CO -0.03 -0.25 1.18 -0.81 1.20 0.00 0.00 173.24 174.54 2ww0 n PRO 388 N 5.40 -0.06 -0.29 5.44 -0.04 -1.26 -4.48 135.00 139.72 2ww0 n PRO 388 Ca -0.06 1.11 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 2ww0 n PRO 388 Cb 0.50 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.33 0.66 3.73 0.55 0.00 0.90 -4.67 105.19 105.02 2ww0 n GLY 389 Ca 0.21 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 0.59 3.05 0.09 1.61 3.76 -1.26 -4.18 115.29 118.96 2ww0 s HIS 390 Ca 0.00 0.82 0.07 0.00 -0.15 0.00 0.00 55.06 55.80 2ww0 s HIS 390 Cb 0.00 -3.87 -0.03 0.00 1.11 0.00 0.00 32.58 29.79 2ww0 s HIS 390 CO 0.00 -3.03 -0.17 1.03 -0.85 0.00 0.00 174.74 171.72 2ww0 s ARG 391 N 0.47 0.98 -0.58 1.40 1.81 -0.32 -4.34 118.95 118.37 2ww0 s ARG 391 Ca 0.65 -1.09 -0.19 0.00 -1.72 0.00 0.00 55.73 53.39 2ww0 s ARG 391 Cb -0.42 -1.08 0.10 0.00 -0.45 0.00 0.00 34.95 33.09 2ww0 s ARG 391 CO 0.37 0.24 0.69 0.20 -0.68 0.00 0.00 175.30 176.12 2ww0 s GLY 392 N -1.92 1.77 -0.19 -3.53 0.00 -1.26 -4.34 107.32 97.85 2ww0 s GLY 392 Ca 0.03 -2.17 -0.11 0.00 0.00 0.00 0.00 44.72 42.47 2ww0 s GLY 392 CO 0.03 1.56 0.47 0.00 0.00 0.00 0.00 173.10 175.17 2ww0 n MET 394 N 4.23 0.00 -4.19 0.00 2.81 -1.26 -4.67 117.12 114.05 2ww0 n MET 394 Ca -0.22 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.52 2ww0 n MET 394 Cb 0.56 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.99 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 -4.68 120.40 109.26 2ww0 s VAL 395 Ca 0.00 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 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 1.25 2.16 2.32 0.00 -1.26 -4.68 105.19 104.52 2ww0 n GLY 396 Ca 0.03 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.22 4.63 0.00 1.61 2.85 -1.26 -4.86 115.26 118.01 2ww0 n ASN 397 Ca 0.00 -3.62 0.12 0.00 -0.11 0.00 0.00 54.58 50.98 2ww0 n ASN 397 Cb 0.00 -0.37 0.67 0.00 1.24 0.00 0.00 39.78 41.32 2ww0 n ASN 397 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2ww0 n ASN 398 N -0.65 0.00 0.04 1.20 4.13 -1.26 -1.96 115.26 116.75 2ww0 n ASN 398 Ca 0.40 -0.29 0.19 0.00 1.68 0.00 0.00 54.58 56.57 2ww0 n ASN 398 Cb 0.90 -0.20 0.70 0.00 -1.54 0.00 0.00 39.78 39.64 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 -0.92 6.41 4.64 -1.89 -0.19 113.55 121.60 2ww0 h SER 399 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ww0 h SER 399 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 2ww0 h SER 399 CO 0.00 0.00 0.54 0.00 -0.87 0.00 0.00 176.83 176.50 2ww0 h ALA 400 N 1.75 1.17 -0.15 5.18 0.00 -1.77 0.15 119.26 125.59 2ww0 h ALA 400 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2ww0 h ALA 400 Cb 0.91 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ww0 h ALA 400 CO -0.00 0.64 -0.05 1.03 0.00 0.00 0.00 179.25 180.87 2ww0 h SER 401 N 1.27 0.30 -0.20 0.00 0.87 -1.27 -1.19 113.55 113.32 2ww0 h SER 401 Ca 0.33 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2ww0 h SER 401 Cb -0.04 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 2ww0 h SER 401 CO -0.06 0.62 -0.18 0.40 -0.53 0.00 0.00 176.83 177.08 2ww0 h ILE 402 N -0.02 0.51 -0.10 2.23 1.08 -1.17 0.16 117.51 120.21 2ww0 h ILE 402 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2ww0 h ILE 402 Cb 0.49 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2ww0 h ILE 402 CO 0.02 0.00 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.39 2ww0 h LEU 403 N -0.19 0.18 -0.33 1.44 3.38 -0.95 -2.56 115.31 116.27 2ww0 h LEU 403 Ca 0.12 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 2ww0 h LEU 403 Cb 0.38 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ww0 h LEU 403 CO -0.32 0.49 -0.38 0.58 0.09 0.00 0.00 178.44 178.90 2ww0 h VAL 404 N -0.12 1.28 -0.68 1.22 2.07 -1.12 -2.35 116.25 116.55 2ww0 h VAL 404 Ca 0.03 -1.55 0.05 0.00 0.82 0.00 0.00 66.70 66.04 2ww0 h VAL 404 Cb 0.40 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2ww0 h VAL 404 CO 0.01 0.51 0.40 -0.78 0.02 0.00 0.00 177.57 177.72 2ww0 h ASP 405 N 0.63 0.62 0.09 0.57 3.58 -0.69 0.81 116.42 122.04 2ww0 h ASP 405 Ca 0.05 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2ww0 h ASP 405 Cb 0.97 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2ww0 h ASP 405 CO 0.09 0.41 -0.05 0.00 -2.88 0.00 0.00 179.24 176.82 2ww0 h ALA 406 N 1.33 -0.13 -0.11 -0.78 0.00 -1.35 -1.63 119.26 116.59 2ww0 h ALA 406 Ca 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2ww0 h ALA 406 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ww0 h ALA 406 CO -0.15 -0.55 0.04 -0.92 0.00 0.00 0.00 179.25 177.67 2ww0 h TYR 407 N -0.18 0.07 0.00 0.00 5.03 -0.97 -0.35 116.97 120.57 2ww0 h TYR 407 Ca -0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2ww0 h TYR 407 Cb 0.14 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2ww0 h TYR 407 CO -0.06 0.04 0.00 0.52 -1.32 0.00 0.00 178.16 177.34 2ww0 h MET 408 N 0.10 0.00 -0.37 1.82 2.86 -0.78 -2.41 114.93 116.15 2ww0 h MET 408 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ww0 h MET 408 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2ww0 h MET 408 CO -0.05 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.55 2ww0 n LYS 409 N -2.48 3.51 -0.10 1.72 5.02 -0.62 -4.94 118.16 120.27 2ww0 n LYS 409 Ca 0.00 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 2ww0 n LYS 409 Cb 0.16 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.09 0.56 3.38 0.72 0.00 -0.91 -5.02 105.19 103.84 2ww0 n GLY 410 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.28 5.12 -0.17 1.61 1.01 -0.23 -5.00 120.40 120.45 2ww0 s VAL 411 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 2ww0 s VAL 411 Cb 0.00 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2ww0 s VAL 411 CO 0.00 -1.21 -0.07 -0.54 0.00 0.00 0.00 175.10 173.29 2ww0 s LYS 412 N 1.65 3.48 0.75 2.72 1.02 -1.26 -3.11 119.74 124.99 2ww0 s LYS 412 Ca 0.21 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 2ww0 s LYS 412 Cb -0.12 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2ww0 s LYS 412 CO -0.05 0.08 1.08 0.14 -0.92 0.00 0.00 175.35 175.68 2ww0 s VAL 413 N 0.76 3.54 0.09 3.17 -7.23 -1.26 -4.97 120.40 114.49 2ww0 s VAL 413 Ca -0.03 0.50 -0.15 0.00 -1.81 0.00 0.00 61.98 60.49 2ww0 s VAL 413 Cb -0.15 -3.09 -0.11 0.00 0.56 0.00 0.00 36.38 33.60 2ww0 s VAL 413 CO 0.02 -0.65 1.38 0.44 -0.31 0.00 0.00 175.10 175.97 2ww0 h ASP 414 N -1.00 0.73 -2.53 4.85 3.32 -1.98 -3.38 116.42 116.43 2ww0 h ASP 414 Ca -0.44 -0.51 -0.76 0.00 0.02 0.00 0.00 57.03 55.34 2ww0 h ASP 414 Cb 1.23 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.36 2ww0 h ASP 414 CO 0.54 1.10 1.14 -0.67 -1.72 0.00 0.00 179.24 179.63 2ww0 n ASP 415 N -4.24 5.35 0.10 6.45 -0.08 -1.26 -4.81 116.55 118.05 2ww0 n ASP 415 Ca -0.05 -3.02 -0.01 0.00 -1.51 0.00 0.00 54.79 50.19 2ww0 n ASP 415 Cb 0.51 -1.50 0.25 0.00 2.34 0.00 0.00 41.12 42.72 2ww0 n ASP 415 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2ww0 h ILE 416 N 4.24 1.29 -0.44 5.18 2.04 -2.00 -2.36 117.51 125.47 2ww0 h ILE 416 Ca 0.28 -1.43 0.06 0.00 1.00 0.00 0.00 64.86 64.77 2ww0 h ILE 416 Cb 0.84 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 2ww0 h ILE 416 CO 1.22 0.43 0.14 0.50 0.00 0.00 0.00 178.15 180.44 2ww0 h LYS 417 N 0.20 0.30 -0.59 2.37 3.64 -1.97 -1.62 116.57 118.90 2ww0 h LYS 417 Ca 0.02 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2ww0 h LYS 417 Cb 0.76 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2ww0 h LYS 417 CO 0.06 0.20 0.15 1.15 -2.27 0.00 0.00 179.45 178.74 2ww0 h THR 418 N 0.31 1.25 -0.27 1.00 2.02 -1.92 -1.78 112.91 113.51 2ww0 h THR 418 Ca 0.21 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.56 2ww0 h THR 418 Cb 0.21 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2ww0 h THR 418 CO -0.22 0.33 -0.04 0.25 0.37 0.00 0.00 175.52 176.20 2ww0 h LEU 419 N 0.84 -0.20 -0.33 2.58 5.85 -0.92 0.24 115.31 123.37 2ww0 h LEU 419 Ca 0.18 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 2ww0 h LEU 419 Cb 0.33 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2ww0 h LEU 419 CO 0.00 -0.07 -0.01 0.22 -0.34 0.00 0.00 178.44 178.24 2ww0 h TYR 420 N 0.03 0.65 -0.68 1.25 3.20 -1.18 -1.61 116.97 118.62 2ww0 h TYR 420 Ca 0.13 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2ww0 h TYR 420 Cb 0.19 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2ww0 h TYR 420 CO -0.24 0.72 0.45 0.93 -1.64 0.00 0.00 178.16 178.37 2ww0 h GLU 421 N 0.40 0.87 -0.31 1.82 5.08 -1.01 -0.75 114.58 120.67 2ww0 h GLU 421 Ca 0.09 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2ww0 h GLU 421 Cb 0.47 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2ww0 h GLU 421 CO 0.02 0.58 0.04 0.78 -1.00 0.00 0.00 179.01 179.43 2ww0 h GLY 422 N 0.90 0.34 0.81 -3.84 0.00 -0.36 0.71 103.07 101.63 2ww0 h GLY 422 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.61 2ww0 h GLY 422 CO -0.07 -0.04 0.07 1.41 0.00 0.00 0.00 176.54 177.91 2ww0 h LEU 423 N 0.14 0.07 -0.92 3.11 3.38 -0.38 -2.12 115.31 118.59 2ww0 h LEU 423 Ca 0.15 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2ww0 h LEU 423 Cb 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2ww0 h LEU 423 CO -0.22 0.07 0.07 0.40 0.09 0.00 0.00 178.44 178.85 2ww0 h ILE 424 N 0.17 1.24 -0.95 1.22 1.08 -0.85 -2.68 117.51 116.73 2ww0 h ILE 424 Ca 0.10 -0.94 0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2ww0 h ILE 424 Cb 0.07 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 2ww0 h ILE 424 CO -0.11 0.34 0.62 -0.74 -0.69 0.00 0.00 178.15 177.57 2ww0 h HIS 425 N 0.81 1.16 0.00 1.37 2.76 -0.31 -2.21 115.15 118.72 2ww0 h HIS 425 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2ww0 h HIS 425 Cb 0.39 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2ww0 h HIS 425 CO 0.02 0.67 0.00 0.41 -1.30 0.00 0.00 177.93 177.73 2ww0 n GLY 426 N -1.36 -1.30 0.10 5.26 0.00 -0.85 -2.53 105.19 104.52 2ww0 n GLY 426 Ca 0.12 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.37 -3.04 112.91 112.46 2ww0 h THR 427 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2ww0 h THR 427 Cb 0.41 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2ww0 h THR 427 CO 0.00 0.00 -0.19 -1.84 -0.25 0.00 0.00 175.52 173.24 2ww0 n GLU 428 N -2.32 0.85 -3.94 4.72 0.28 -1.05 -4.85 120.64 114.33 2ww0 n GLU 428 Ca 0.04 -1.79 -0.10 0.00 -0.16 0.00 0.00 57.16 55.15 2ww0 n GLU 428 Cb 0.46 -1.03 -0.10 0.00 1.43 0.00 0.00 31.44 32.20 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 -1.87 0.18 0.00 -1.84 0.01 -1.08 -5.02 114.94 105.33 2ww0 s ASN 429 Ca 0.16 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 2ww0 s ASN 429 Cb 0.14 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.97 2ww0 s ASN 429 CO 0.01 -0.42 -0.14 0.54 -1.51 0.00 0.00 177.10 175.59 2ww0 s VAL 430 N -2.06 1.07 0.29 1.60 0.11 -1.26 -0.91 120.40 119.24 2ww0 s VAL 430 Ca -0.10 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 2ww0 s VAL 430 Cb -0.05 -0.91 -0.12 0.00 -1.53 0.00 0.00 36.38 33.77 2ww0 s VAL 430 CO -0.02 0.22 1.58 1.57 -3.33 0.00 0.00 175.10 175.12 2ww0 n HIS 431 N 2.52 2.79 0.12 1.54 -0.00 0.12 -4.89 115.22 117.43 2ww0 n HIS 431 Ca -0.15 0.27 0.06 0.00 0.46 0.00 0.00 57.72 58.36 2ww0 n HIS 431 Cb 0.55 -2.59 0.52 0.00 -0.12 0.00 0.00 29.99 28.36 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 4.75 0.28 0.00 1.57 0.11 -2.00 -3.26 132.00 133.45 2ww0 h PRO 432 Ca -0.47 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2ww0 h PRO 432 Cb 1.23 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2ww0 h PRO 432 CO 0.79 0.19 -1.59 0.39 -0.21 0.00 0.00 178.00 177.57 2ww0 n GLU 433 N -4.50 2.32 -3.54 1.05 4.71 -1.26 -4.90 120.64 114.51 2ww0 n GLU 433 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 2ww0 n GLU 433 Cb 0.08 -1.22 -0.08 0.00 -1.01 0.00 0.00 31.44 29.21 2ww0 n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ww0 s VAL 434 N -2.21 4.34 -0.66 2.62 1.01 -1.23 -4.95 120.40 119.33 2ww0 s VAL 434 Ca -0.06 -2.04 0.20 0.00 0.00 0.00 0.00 61.98 60.08 2ww0 s VAL 434 Cb 0.03 -3.83 0.19 0.00 0.00 0.00 0.00 36.38 32.77 2ww0 s VAL 434 CO 0.34 -0.83 1.60 -1.54 0.00 0.00 0.00 175.10 174.67 2ww0 n SER 435 N 4.59 0.41 -0.51 3.32 3.41 -1.26 -1.46 113.62 122.13 2ww0 n SER 435 Ca -0.03 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 2ww0 n SER 435 Cb 0.41 -0.69 0.36 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.96 1.52 -4.33 4.04 3.41 -1.26 -4.13 113.62 110.91 2ww0 n SER 436 Ca 0.02 -1.72 -0.34 0.00 -0.26 0.00 0.00 58.87 56.58 2ww0 n SER 436 Cb 0.19 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.78 3.19 0.00 6.66 2.01 -0.53 -4.58 115.64 120.60 2ww0 s THR 437 Ca 0.31 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2ww0 s THR 437 Cb 0.16 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.27 2ww0 s THR 437 CO 0.24 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 2ww0 n GLY 438 N 4.24 -2.02 3.20 4.40 0.00 -1.26 -0.71 105.19 113.03 2ww0 n GLY 438 Ca -0.18 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 2.47 0.26 1.61 0.52 -0.08 -4.79 118.95 118.94 2ww0 s ARG 439 Ca 0.00 -1.86 -0.31 0.00 -0.52 0.00 0.00 55.73 53.05 2ww0 s ARG 439 Cb 0.00 -3.89 -0.12 0.00 0.52 0.00 0.00 34.95 31.46 2ww0 s ARG 439 CO 0.00 -1.18 1.65 -0.11 0.02 0.00 0.00 175.30 175.67 2ww0 n LEU 440 N 4.73 4.25 0.00 2.53 7.94 -1.26 -2.38 117.00 132.81 2ww0 n LEU 440 Ca -0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 2ww0 n LEU 440 Cb 0.41 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.77 2ww0 n LEU 440 CO 0.41 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 2ww0 n GLY 441 N 2.83 0.47 0.28 -3.96 0.00 -1.26 -4.93 105.19 98.61 2ww0 n GLY 441 Ca 0.11 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.78 1.61 -0.00 -1.80 -1.38 116.97 116.19 2ww0 h TYR 442 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2ww0 h TYR 442 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2ww0 h TYR 442 CO 0.00 0.03 -0.45 0.93 -0.00 0.00 0.00 178.16 178.67 2ww0 h GLU 443 N 0.00 -1.10 0.03 0.10 3.07 -1.91 0.10 114.58 114.86 2ww0 h GLU 443 Ca -0.00 0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2ww0 h GLU 443 Cb 0.06 0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2ww0 h GLU 443 CO 0.00 -0.74 -0.12 1.88 -1.40 0.00 0.00 179.01 178.64 2ww0 h TYR 444 N -1.15 -0.30 -0.20 4.33 0.05 -1.75 -1.62 116.97 116.33 2ww0 h TYR 444 Ca -0.10 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.74 2ww0 h TYR 444 Cb 0.91 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.72 2ww0 h TYR 444 CO -0.08 -0.18 -0.18 -0.92 -1.05 0.00 0.00 178.16 175.75 2ww0 h TYR 445 N -0.21 -0.47 -0.41 4.88 3.20 -1.14 0.88 116.97 123.70 2ww0 h TYR 445 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2ww0 h TYR 445 Cb 0.25 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2ww0 h TYR 445 CO -0.17 -0.26 0.11 -0.91 -1.64 0.00 0.00 178.16 175.29 2ww0 h ASN 446 N -0.20 0.55 0.06 -2.11 -0.26 -0.69 0.20 115.58 113.13 2ww0 h ASN 446 Ca 0.12 -0.08 -0.12 0.00 -0.56 0.00 0.00 56.30 55.67 2ww0 h ASN 446 Cb 0.38 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2ww0 h ASN 446 CO -0.32 0.55 -0.55 0.50 -1.06 0.00 0.00 177.43 176.55 2ww0 h LYS 447 N 0.59 0.14 0.00 0.81 3.64 -0.25 -3.40 116.57 118.10 2ww0 h LYS 447 Ca 0.14 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 2ww0 h LYS 447 Cb 0.21 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2ww0 h LYS 447 CO -0.00 1.11 -1.77 1.28 -2.27 0.00 0.00 179.45 177.79 2ww0 n LEU 448 N -4.35 0.32 0.00 5.20 7.99 0.30 -4.98 117.00 121.48 2ww0 n LEU 448 Ca -0.15 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2ww0 n LEU 448 Cb 0.67 0.09 0.00 0.00 -0.11 0.00 0.00 43.42 44.07 2ww0 n LEU 448 CO 0.39 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 2ww0 n GLY 449 N 1.36 0.62 3.65 -0.72 0.00 0.68 -5.04 105.19 105.74 2ww0 n GLY 449 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 -0.32 -0.34 1.61 1.13 -1.23 -4.75 117.35 111.01 2ww0 s TYR 450 Ca 0.00 -0.02 -0.15 0.00 -1.41 0.00 0.00 57.07 55.49 2ww0 s TYR 450 Cb 0.00 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.47 2ww0 s TYR 450 CO 0.00 -1.05 0.35 0.08 -2.51 0.00 0.00 175.55 172.42 2ww0 s VAL 451 N -3.85 5.18 0.49 -3.49 1.01 -1.26 -3.20 120.40 115.29 2ww0 s VAL 451 Ca 0.07 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2ww0 s VAL 451 Cb -0.04 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2ww0 s VAL 451 CO -0.02 -0.07 0.99 -2.65 0.00 0.00 0.00 175.10 173.35 2ww0 n PRO 452 N 5.36 1.20 0.11 2.72 -0.02 -1.26 -4.44 135.00 138.67 2ww0 n PRO 452 Ca -0.09 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 2ww0 n PRO 452 Cb 0.49 -2.10 0.42 0.00 -0.02 0.00 0.00 33.50 32.29 2ww0 n PRO 452 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2ww0 n TYR 453 N -0.97 0.92 -1.47 6.00 4.19 0.45 -4.04 117.16 122.23 2ww0 n TYR 453 Ca 0.11 0.28 0.06 0.00 3.31 0.00 0.00 57.90 61.66 2ww0 n TYR 453 Cb 0.43 -0.96 0.20 0.00 0.49 0.00 0.00 39.34 39.49 2ww0 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww0 n ASP 454 N -2.27 1.94 -0.37 2.98 5.68 -1.26 -4.70 116.55 118.55 2ww0 n ASP 454 Ca 0.05 -3.72 0.08 0.00 -0.50 0.00 0.00 54.79 50.69 2ww0 n ASP 454 Cb 0.40 -0.52 0.18 0.00 -1.14 0.00 0.00 41.12 40.03 2ww0 n ASP 454 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2ww0 n VAL 455 N -1.17 2.07 -1.59 2.12 0.24 -1.26 -4.90 118.33 113.84 2ww0 n VAL 455 Ca 0.20 -2.67 -0.10 0.00 -2.04 0.00 0.00 64.34 59.73 2ww0 n VAL 455 Cb 0.72 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 2ww0 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww0 n LYS 456 N -1.26 -0.71 -4.08 7.34 4.01 -1.26 -4.99 118.16 117.21 2ww0 n LYS 456 Ca 0.18 0.71 -0.32 0.00 -0.51 0.00 0.00 58.31 58.37 2ww0 n LYS 456 Cb 0.69 -4.67 -0.15 0.00 -0.51 0.00 0.00 35.03 30.39 2ww0 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww0 s ILE 457 N -2.40 2.09 0.41 -0.18 1.01 -1.26 -5.11 121.20 115.76 2ww0 s ILE 457 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 2ww0 s ILE 457 Cb 0.00 -2.10 -0.11 0.00 0.01 0.00 0.00 42.46 40.27 2ww0 s ILE 457 CO 0.00 0.17 0.95 0.20 0.00 0.00 0.00 174.94 176.27 2ww0 s ASN 458 N 1.19 7.00 -1.19 3.58 0.01 -1.26 -3.64 114.94 120.62 2ww0 s ASN 458 Ca -0.04 1.74 -0.03 0.00 -0.71 0.00 0.00 52.86 53.82 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 -0.32 0.38 -0.62 -1.51 0.00 0.00 177.10 174.95 2ww0 n GLU 459 N -0.39 -3.26 -0.30 -0.60 1.02 0.19 -4.89 120.64 112.41 2ww0 n GLU 459 Ca 0.06 0.69 -0.03 0.00 -0.02 0.00 0.00 57.16 57.86 2ww0 n GLU 459 Cb 0.53 -5.07 0.08 0.00 -0.02 0.00 0.00 31.44 26.96 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 -0.87 0.94 -0.60 1.62 -1.07 -1.58 -0.85 115.58 113.17 2ww0 h ASN 460 Ca -0.39 -0.02 -0.09 0.00 0.07 0.00 0.00 56.30 55.87 2ww0 h ASN 460 Cb 1.27 -0.23 -0.02 0.00 -2.07 0.00 0.00 38.32 37.27 2ww0 h ASN 460 CO 0.43 0.67 0.03 0.00 0.07 0.00 0.00 177.43 178.63 2ww0 h ALA 461 N 1.31 0.80 -0.53 4.14 0.00 -1.28 -0.14 119.26 123.57 2ww0 h ALA 461 Ca 0.31 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2ww0 h ALA 461 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2ww0 h ALA 461 CO -0.08 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 2ww0 h ALA 462 N 0.99 0.80 -0.07 0.00 0.00 -1.22 -2.05 119.26 117.71 2ww0 h ALA 462 Ca 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ww0 h ALA 462 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ww0 h ALA 462 CO 0.02 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.96 2ww0 h ARG 463 N 0.88 0.10 -0.13 0.00 3.08 -0.89 -2.11 114.38 115.31 2ww0 h ARG 463 Ca 0.14 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.21 2ww0 h ARG 463 Cb 0.67 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 2ww0 h ARG 463 CO 0.05 0.24 -0.19 1.15 -1.07 0.00 0.00 179.97 180.16 2ww0 h THR 464 N -0.06 0.52 -0.21 2.04 2.02 -0.96 0.33 112.91 116.59 2ww0 h THR 464 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 2ww0 h THR 464 Cb 0.18 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2ww0 h THR 464 CO -0.00 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.86 2ww0 h LEU 465 N -0.23 0.00 -0.51 2.58 3.38 -1.33 -1.11 115.31 118.10 2ww0 h LEU 465 Ca 0.10 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2ww0 h LEU 465 Cb 0.38 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ww0 h LEU 465 CO -0.27 0.03 -0.46 -0.33 0.09 0.00 0.00 178.44 177.50 2ww0 h GLU 466 N 0.12 0.70 -0.79 1.13 5.08 -1.04 -2.48 114.58 117.30 2ww0 h GLU 466 Ca 0.10 -0.39 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2ww0 h GLU 466 Cb 0.10 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 2ww0 h GLU 466 CO -0.13 1.01 0.45 1.88 -1.00 0.00 0.00 179.01 181.22 2ww0 h TYR 467 N 0.56 0.82 -0.29 4.33 0.05 -0.07 0.12 116.97 122.50 2ww0 h TYR 467 Ca 0.03 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2ww0 h TYR 467 Cb 1.01 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 2ww0 h TYR 467 CO 0.05 0.35 0.03 0.00 -1.05 0.00 0.00 178.16 177.54 2ww0 h ALA 468 N 1.42 0.27 -0.61 3.88 0.00 -0.77 0.30 119.26 123.76 2ww0 h ALA 468 Ca 0.37 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 2ww0 h ALA 468 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2ww0 h ALA 468 CO -0.23 -0.39 0.07 -0.92 0.00 0.00 0.00 179.25 177.79 2ww0 h TYR 469 N 0.12 1.09 -0.01 0.00 3.20 -1.06 -1.89 116.97 118.43 2ww0 h TYR 469 Ca 0.13 -0.16 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2ww0 h TYR 469 Cb 0.16 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2ww0 h TYR 469 CO -0.19 0.94 -0.17 -0.44 -1.64 0.00 0.00 178.16 176.66 2ww0 h ASP 470 N 0.95 -0.49 -0.69 -2.11 3.32 0.18 -2.00 116.42 115.59 2ww0 h ASP 470 Ca 0.19 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.39 2ww0 h ASP 470 Cb 0.46 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2ww0 h ASP 470 CO 0.02 -0.23 0.46 0.44 -1.72 0.00 0.00 179.24 178.21 2ww0 h ASP 471 N -0.27 0.56 -0.58 6.45 3.32 -0.14 0.12 116.42 125.88 2ww0 h ASP 471 Ca 0.06 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2ww0 h ASP 471 Cb 0.34 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2ww0 h ASP 471 CO -0.16 0.35 0.35 -0.25 -1.72 0.00 0.00 179.24 177.80 2ww0 h TRP 472 N 0.63 0.64 -0.58 4.55 7.01 -0.65 0.25 115.95 127.80 2ww0 h TRP 472 Ca 0.31 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.33 2ww0 h TRP 472 Cb 0.38 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 2ww0 h TRP 472 CO -0.00 0.36 0.37 0.00 -2.79 0.00 0.00 178.44 176.38 2ww0 h ILE 474 N 0.79 1.17 -0.75 0.00 2.04 -0.75 -1.20 117.51 118.81 2ww0 h ILE 474 Ca 0.21 -0.53 0.15 0.00 1.00 0.00 0.00 64.86 65.69 2ww0 h ILE 474 Cb -0.06 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.00 2ww0 h ILE 474 CO -0.04 0.18 0.25 0.22 0.00 0.00 0.00 178.15 178.76 2ww0 h TYR 475 N 0.23 0.42 -0.38 1.37 5.03 0.02 0.26 116.97 123.92 2ww0 h TYR 475 Ca 0.08 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2ww0 h TYR 475 Cb 0.19 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 2ww0 h TYR 475 CO -0.01 -0.01 0.22 0.00 -1.32 0.00 0.00 178.16 177.04 2ww0 h ARG 476 N 0.36 0.52 -0.16 1.82 2.47 -0.12 -0.64 114.38 118.63 2ww0 h ARG 476 Ca 0.42 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 59.01 2ww0 h ARG 476 Cb 0.69 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2ww0 h ARG 476 CO -0.46 0.41 -0.21 1.25 0.56 0.00 0.00 179.97 181.53 2ww0 h LEU 477 N 0.49 0.46 -0.71 3.04 5.85 -0.48 -2.57 115.31 121.39 2ww0 h LEU 477 Ca 0.13 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.46 2ww0 h LEU 477 Cb 0.03 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 2ww0 h LEU 477 CO -0.02 0.87 0.32 0.00 -0.34 0.00 0.00 178.44 179.27 2ww0 h ALA 478 N 0.60 0.98 -0.22 1.25 0.00 -0.38 0.12 119.26 121.60 2ww0 h ALA 478 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ww0 h ALA 478 Cb 0.76 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2ww0 h ALA 478 CO 0.05 -0.13 0.13 -0.22 0.00 0.00 0.00 179.25 179.08 2ww0 h LYS 479 N 0.51 0.31 -0.96 0.00 3.64 -1.08 -1.80 116.57 117.20 2ww0 h LYS 479 Ca 0.37 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 2ww0 h LYS 479 Cb 0.46 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2ww0 h LYS 479 CO -0.32 0.27 0.58 1.49 -2.27 0.00 0.00 179.45 179.20 2ww0 h GLU 480 N 0.26 0.85 0.00 1.90 4.57 -0.82 -0.70 114.58 120.64 2ww0 h GLU 480 Ca 0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2ww0 h GLU 480 Cb 0.05 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2ww0 h GLU 480 CO -0.01 0.56 0.00 1.28 -1.18 0.00 0.00 179.01 179.66 2ww0 n LEU 481 N -4.70 0.00 -3.62 1.64 4.32 0.31 -4.89 117.00 110.05 2ww0 n LEU 481 Ca 0.19 0.25 -0.23 0.00 -0.02 0.00 0.00 56.01 56.20 2ww0 n LEU 481 Cb 0.39 -0.25 0.07 0.00 -1.62 0.00 0.00 43.42 42.01 2ww0 n LEU 481 CO 0.25 -0.02 0.15 0.29 -1.22 0.00 0.00 177.39 176.85 2ww0 n LYS 482 N -1.25 -6.85 -1.07 3.23 5.02 -0.27 -4.97 118.16 111.99 2ww0 n LYS 482 Ca 0.14 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.92 2ww0 n LYS 482 Cb 0.21 -5.73 0.18 0.00 -0.02 0.00 0.00 35.03 29.67 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 -6.08 0.31 0.38 1.97 1.81 -0.80 -4.96 118.95 111.58 2ww0 s ARG 483 Ca 0.38 0.62 -0.27 0.00 -1.72 0.00 0.00 55.73 54.74 2ww0 s ARG 483 Cb -0.17 -1.72 -0.11 0.00 -0.45 0.00 0.00 34.95 32.50 2ww0 s ARG 483 CO 0.76 -2.83 1.28 -2.30 -0.68 0.00 0.00 175.30 171.52 2ww0 n PRO 484 N -4.26 2.04 -0.27 3.54 -0.02 -1.26 -4.76 135.00 130.00 2ww0 n PRO 484 Ca 0.05 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.40 2ww0 n PRO 484 Cb 0.56 -2.35 0.43 0.00 -0.02 0.00 0.00 33.50 32.12 2ww0 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww0 h LYS 485 N 2.35 0.57 -0.61 -0.52 -0.00 -1.98 -0.56 116.57 115.81 2ww0 h LYS 485 Ca -0.47 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.65 60.13 2ww0 h LYS 485 Cb 1.29 -0.13 -0.03 0.00 -0.00 0.00 0.00 32.23 33.36 2ww0 h LYS 485 CO 0.61 0.37 0.32 1.57 -0.00 0.00 0.00 179.45 182.32 2ww0 h LYS 486 N 0.58 0.86 0.43 0.07 5.09 -1.99 0.26 116.57 121.88 2ww0 h LYS 486 Ca 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 60.65 61.09 2ww0 h LYS 486 Cb 0.94 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.11 2ww0 h LYS 486 CO -0.22 0.67 -0.21 0.93 -2.09 0.00 0.00 179.45 178.53 2ww0 h GLU 487 N 0.83 -0.56 -0.69 0.07 5.08 -1.51 -2.30 114.58 115.50 2ww0 h GLU 487 Ca 0.21 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2ww0 h GLU 487 Cb 0.07 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2ww0 h GLU 487 CO -0.03 -0.32 0.37 0.82 -1.00 0.00 0.00 179.01 178.85 2ww0 h ILE 488 N -0.68 0.93 -0.24 3.13 2.04 -1.03 -1.15 117.51 120.52 2ww0 h ILE 488 Ca -0.06 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 2ww0 h ILE 488 Cb 0.50 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2ww0 h ILE 488 CO 0.10 0.12 -0.13 0.28 0.00 0.00 0.00 178.15 178.52 2ww0 h SER 489 N 0.67 0.38 -0.45 1.72 0.02 -0.48 -1.83 113.55 113.58 2ww0 h SER 489 Ca 0.32 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2ww0 h SER 489 Cb 0.24 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2ww0 h SER 489 CO -0.21 0.54 0.16 0.25 -1.14 0.00 0.00 176.83 176.43 2ww0 h LEU 490 N 0.37 0.64 -0.17 5.07 5.85 -0.62 0.20 115.31 126.66 2ww0 h LEU 490 Ca 0.07 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.38 2ww0 h LEU 490 Cb 0.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2ww0 h LEU 490 CO 0.03 0.66 -0.96 -0.26 -0.34 0.00 0.00 178.44 177.56 2ww0 h PHE 491 N 0.59 0.35 -0.96 1.25 0.04 -1.38 -1.63 116.94 115.19 2ww0 h PHE 491 Ca 0.15 -0.21 0.04 0.00 2.80 0.00 0.00 57.97 60.75 2ww0 h PHE 491 Cb 0.23 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 2ww0 h PHE 491 CO 0.01 1.06 0.63 0.00 -0.60 0.00 0.00 178.31 179.40 2ww0 h ALA 492 N 0.87 1.38 -0.19 2.45 0.00 -1.20 0.72 119.26 123.29 2ww0 h ALA 492 Ca -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2ww0 h ALA 492 Cb 1.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ww0 h ALA 492 CO 0.15 0.52 -0.02 -0.22 0.00 0.00 0.00 179.25 179.68 2ww0 h LYS 493 N 1.21 0.36 0.00 0.00 3.64 -0.77 -3.19 116.57 117.81 2ww0 h LYS 493 Ca 0.38 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2ww0 h LYS 493 Cb 0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2ww0 h LYS 493 CO -0.12 0.59 -0.38 0.00 -2.27 0.00 0.00 179.45 177.27 2ww0 h ARG 494 N 0.09 0.00 -0.00 1.90 3.08 -0.67 -1.83 114.38 116.95 2ww0 h ARG 494 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2ww0 h ARG 494 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2ww0 h ARG 494 CO 0.01 0.38 0.08 0.00 -1.07 0.00 0.00 179.97 179.38 2ww0 h ALA 495 N 1.62 1.10 -0.00 0.04 0.00 -0.86 0.02 119.26 121.18 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ww0 h ALA 495 CO 0.05 -0.08 -0.14 -1.33 0.00 0.00 0.00 179.25 177.74 2ww0 n MET 496 N -3.06 0.01 0.28 0.00 2.81 -0.69 -4.38 117.12 112.10 2ww0 n MET 496 Ca -0.03 -0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.03 2ww0 n MET 496 Cb 0.15 -1.50 0.94 0.00 -0.71 0.00 0.00 33.22 32.10 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 0.01 0.00 -0.31 7.83 2.35 -1.12 -1.53 115.58 122.81 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 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2ww0 h ASN 497 CO 0.00 0.00 0.39 0.10 -1.65 0.00 0.00 177.43 176.27 2ww0 h TYR 498 N 0.00 0.00 0.00 1.19 -0.00 -1.82 0.27 116.97 116.61 2ww0 h TYR 498 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.70 2ww0 h TYR 498 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.88 2ww0 h TYR 498 CO 0.00 0.00 -0.26 0.87 -0.00 0.00 0.00 178.16 178.77 2ww0 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.63 -2.94 116.57 113.67 2ww0 h LYS 499 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2ww0 h LYS 499 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2ww0 h LYS 499 CO -0.00 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.23 2ww0 n ASN 500 N -4.03 0.57 -0.39 0.86 3.02 0.95 -2.25 115.26 113.99 2ww0 n ASN 500 Ca -0.02 0.68 0.04 0.00 -0.03 0.00 0.00 54.58 55.25 2ww0 n ASN 500 Cb 0.33 -0.78 0.08 0.00 -0.61 0.00 0.00 39.78 38.80 2ww0 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww0 n LEU 501 N -2.17 2.30 -4.70 3.41 4.77 -1.11 -4.98 117.00 114.52 2ww0 n LEU 501 Ca 0.01 -1.67 -0.40 0.00 -0.03 0.00 0.00 56.01 53.92 2ww0 n LEU 501 Cb 0.15 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2ww0 n LEU 501 CO 0.15 0.55 0.47 0.12 -1.33 0.00 0.00 177.39 177.36 2ww0 s PHE 502 N -0.88 3.55 -0.28 -1.77 5.36 -0.95 -0.36 117.98 122.64 2ww0 s PHE 502 Ca 0.14 1.29 -0.11 0.00 -0.96 0.00 0.00 56.93 57.29 2ww0 s PHE 502 Cb 0.08 -2.89 -0.05 0.00 -0.34 0.00 0.00 43.02 39.82 2ww0 s PHE 502 CO 0.10 -0.00 0.18 0.34 -1.46 0.00 0.00 175.22 174.38 2ww0 s ASP 503 N 0.92 5.91 0.18 6.13 2.15 -0.25 -4.96 116.67 126.75 2ww0 s ASP 503 Ca 0.39 -0.05 -0.11 0.00 0.43 0.00 0.00 52.55 53.21 2ww0 s ASP 503 Cb -0.18 -2.10 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 2ww0 s ASP 503 CO 0.18 -0.06 1.69 0.50 -0.17 0.00 0.00 175.17 177.31 2ww0 h LYS 504 N 8.36 0.98 -0.16 4.34 3.64 -1.92 0.20 116.57 132.01 2ww0 h LYS 504 Ca -0.35 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 2ww0 h LYS 504 Cb 1.19 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2ww0 h LYS 504 CO 0.56 0.90 -0.01 1.49 -2.27 0.00 0.00 179.45 180.11 2ww0 h GLU 505 N 0.89 0.28 0.00 1.90 4.57 -1.96 -3.19 114.58 117.08 2ww0 h GLU 505 Ca 0.19 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 2ww0 h GLU 505 Cb 0.36 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2ww0 h GLU 505 CO 0.00 0.52 -0.66 0.66 -1.18 0.00 0.00 179.01 178.35 2ww0 h SER 506 N 0.01 0.00 -1.14 1.04 4.64 -1.99 -3.47 113.55 112.64 2ww0 h SER 506 Ca 0.04 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.09 2ww0 h SER 506 Cb 0.40 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.42 2ww0 h SER 506 CO 0.01 0.55 -0.29 0.29 -0.87 0.00 0.00 176.83 176.52 2ww0 n LYS 507 N -3.19 -1.00 -4.28 4.77 5.02 0.69 -5.01 118.16 115.16 2ww0 n LYS 507 Ca 0.00 0.86 -0.18 0.00 -2.02 0.00 0.00 58.31 56.97 2ww0 n LYS 507 Cb 0.76 -5.00 -0.11 0.00 -0.02 0.00 0.00 35.03 30.67 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 -3.41 2.46 0.42 -0.35 1.43 -1.17 -4.93 118.68 113.13 2ww0 s LEU 508 Ca 0.00 -0.90 -0.25 0.00 -1.03 0.00 0.00 54.13 51.95 2ww0 s LEU 508 Cb 0.00 -0.60 -0.08 0.00 0.03 0.00 0.00 46.19 45.54 2ww0 s LEU 508 CO 0.00 -0.16 1.23 -0.04 0.23 0.00 0.00 176.35 177.61 2ww0 s MET 509 N -3.07 3.93 -0.10 1.70 -1.94 -1.26 -1.09 119.30 117.46 2ww0 s MET 509 Ca 0.14 1.96 -0.19 0.00 -1.71 0.00 0.00 55.69 55.90 2ww0 s MET 509 Cb -0.03 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.21 2ww0 s MET 509 CO 0.04 -0.46 0.46 0.50 -0.01 0.00 0.00 175.02 175.55 2ww0 s ARG 510 N -2.36 0.69 0.39 2.03 3.52 0.51 -4.79 118.95 118.93 2ww0 s ARG 510 Ca 0.59 0.30 -0.28 0.00 -0.13 0.00 0.00 55.73 56.21 2ww0 s ARG 510 Cb -0.34 0.32 -0.11 0.00 -1.56 0.00 0.00 34.95 33.27 2ww0 s ARG 510 CO 0.42 -0.15 1.49 0.20 -0.81 0.00 0.00 175.30 176.45 2ww0 s GLY 511 N -0.54 2.94 -0.04 8.12 0.00 -1.26 -4.76 107.32 111.78 2ww0 s GLY 511 Ca -0.07 1.59 0.03 0.00 0.00 0.00 0.00 44.72 46.28 2ww0 s GLY 511 CO 0.04 2.27 -0.12 -1.60 0.00 0.00 0.00 173.10 173.68 2ww0 s ARG 512 N -2.15 1.35 0.77 2.90 3.52 -1.26 -0.73 118.95 123.34 2ww0 s ARG 512 Ca 0.54 -0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 55.59 2ww0 s ARG 512 Cb -0.47 -1.20 0.06 0.00 -1.56 0.00 0.00 34.95 31.78 2ww0 s ARG 512 CO 0.63 0.15 1.11 -0.80 -0.81 0.00 0.00 175.30 175.59 2ww0 s ASN 513 N 0.19 4.77 0.37 -2.12 0.01 0.26 0.17 114.94 118.60 2ww0 s ASN 513 Ca -0.05 1.15 0.05 0.00 -0.71 0.00 0.00 52.86 53.31 2ww0 s ASN 513 Cb -0.10 -1.87 0.72 0.00 0.41 0.00 0.00 41.25 40.41 2ww0 s ASN 513 CO 0.01 -1.77 1.98 -0.08 -1.51 0.00 0.00 177.10 175.73 2ww0 h GLU 514 N -0.95 0.59 0.00 -0.60 4.81 -1.90 -0.62 114.58 115.90 2ww0 h GLU 514 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2ww0 h GLU 514 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2ww0 h GLU 514 CO 0.62 0.47 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 2ww0 n ASP 515 N -4.39 0.00 0.00 1.04 5.68 -1.26 -4.85 116.55 112.76 2ww0 n ASP 515 Ca 0.03 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2ww0 n ASP 515 Cb 0.13 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 0.13 0.60 3.73 6.12 0.00 -0.24 -5.07 105.19 110.47 2ww0 n GLY 516 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.17 4.19 0.78 2.61 -4.23 -1.26 -4.78 115.64 110.78 2ww0 s THR 517 Ca 0.00 1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 62.26 2ww0 s THR 517 Cb 0.00 -4.20 0.07 0.00 1.34 0.00 0.00 72.50 69.70 2ww0 s THR 517 CO 0.00 0.32 1.18 -0.36 -0.54 0.00 0.00 174.62 175.22 2ww0 s PHE 518 N -0.24 2.02 0.35 3.99 0.08 -1.26 -0.57 117.98 122.35 2ww0 s PHE 518 Ca 0.47 1.64 -0.25 0.00 0.12 0.00 0.00 56.93 58.91 2ww0 s PHE 518 Cb -0.26 -3.38 -0.10 0.00 -0.57 0.00 0.00 43.02 38.71 2ww0 s PHE 518 CO 0.32 -2.53 0.99 -1.14 -0.10 0.00 0.00 175.22 172.76 2ww0 s GLN 519 N -4.20 4.43 0.45 0.44 -0.44 0.09 -4.70 119.66 115.72 2ww0 s GLN 519 Ca 0.71 1.41 0.03 0.00 -2.50 0.00 0.00 55.36 55.01 2ww0 s GLN 519 Cb -0.26 -2.71 -0.03 0.00 -1.64 0.00 0.00 33.01 28.38 2ww0 s GLN 519 CO 0.49 0.12 0.06 -1.12 0.50 0.00 0.00 175.29 175.34 2ww0 s SER 520 N -1.58 3.41 0.08 6.67 0.01 -1.26 -4.21 113.70 116.82 2ww0 s SER 520 Ca 0.53 -1.62 -0.06 0.00 1.31 0.00 0.00 55.95 56.11 2ww0 s SER 520 Cb -0.20 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2ww0 s SER 520 CO 0.26 -0.84 0.06 -0.81 0.41 0.00 0.00 173.24 172.32 2ww0 n PRO 521 N -1.05 0.00 -3.84 12.44 -0.04 -1.26 -5.08 135.00 136.18 2ww0 n PRO 521 Ca -0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.99 2ww0 n PRO 521 Cb 0.66 -0.25 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.36 3.05 -0.36 0.54 5.36 -1.26 -5.06 117.98 119.89 2ww0 s PHE 522 Ca 0.15 -0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 55.17 2ww0 s PHE 522 Cb -0.19 -2.17 0.08 0.00 -0.34 0.00 0.00 43.02 40.40 2ww0 s PHE 522 CO 0.15 -0.54 0.12 -1.12 -1.46 0.00 0.00 175.22 172.37 2ww0 s SER 523 N 1.50 5.16 0.58 6.13 0.01 -1.26 -4.94 113.70 120.87 2ww0 s SER 523 Ca 0.04 -1.60 0.34 0.00 1.31 0.00 0.00 55.95 56.05 2ww0 s SER 523 Cb -0.16 -1.80 1.74 0.00 0.21 0.00 0.00 66.02 66.01 2ww0 s SER 523 CO -0.00 -0.41 2.15 -0.65 0.41 0.00 0.00 173.24 174.73 2ww0 h PRO 524 N 8.08 0.00 -0.15 12.44 0.11 -1.97 -1.79 132.00 148.71 2ww0 h PRO 524 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2ww0 h PRO 524 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2ww0 h PRO 524 CO 0.63 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.75 2ww0 n LEU 525 N -3.35 2.40 -4.77 2.35 4.77 -1.26 -2.58 117.00 114.56 2ww0 n LEU 525 Ca -0.02 -0.92 -0.38 0.00 -0.03 0.00 0.00 56.01 54.66 2ww0 n LEU 525 Cb 0.20 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2ww0 n LEU 525 CO 0.26 0.46 0.69 -0.75 -1.33 0.00 0.00 177.39 176.73 2ww0 s LYS 526 N -1.82 4.54 -0.02 3.23 2.20 -0.68 -2.06 119.74 125.14 2ww0 s LYS 526 Ca 0.34 1.48 -0.02 0.00 -0.36 0.00 0.00 55.97 57.41 2ww0 s LYS 526 Cb 0.20 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 2ww0 s LYS 526 CO 0.30 0.21 0.15 -1.58 -0.36 0.00 0.00 175.35 174.07 2ww0 s TRP 527 N -1.47 3.48 0.00 4.03 0.52 -0.78 -3.91 118.94 120.80 2ww0 s TRP 527 Ca 0.49 0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.94 2ww0 s TRP 527 Cb -0.23 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 2ww0 s TRP 527 CO 0.29 0.63 0.00 0.41 0.02 0.00 0.00 176.95 178.30 2ww0 n GLY 528 N 1.13 1.46 7.00 0.98 0.00 -0.48 -4.55 105.19 110.73 2ww0 n GLY 528 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.02 0.00 0.18 1.61 -0.08 -1.26 0.51 116.55 119.53 2ww0 n ASP 529 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 2ww0 n ASP 529 Cb 0.00 0.00 0.34 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.89 1.34 -0.99 -1.67 0.00 -1.93 0.56 119.26 115.67 2ww0 h ALA 530 Ca 0.00 -0.36 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 2ww0 h ALA 530 Cb 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 2ww0 h ALA 530 CO 0.00 0.50 -0.55 -0.06 0.00 0.00 0.00 179.25 179.14 2ww0 s PHE 531 N -4.13 2.18 -0.28 0.00 0.08 0.18 -0.99 117.98 115.03 2ww0 s PHE 531 Ca -0.03 -0.81 -0.05 0.00 0.12 0.00 0.00 56.93 56.16 2ww0 s PHE 531 Cb 0.14 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2ww0 s PHE 531 CO 0.73 0.32 0.03 0.95 -0.10 0.00 0.00 175.22 177.15 2ww0 s THR 532 N -2.79 3.57 -1.28 0.64 -4.23 -1.26 -3.43 115.64 106.87 2ww0 s THR 532 Ca 0.21 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.80 2ww0 s THR 532 Cb 0.05 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 2ww0 s THR 532 CO 0.11 0.11 0.62 -0.62 -0.54 0.00 0.00 174.62 174.30 2ww0 n GLU 533 N 4.79 -2.72 0.00 3.99 1.02 -1.26 -4.84 120.64 121.62 2ww0 n GLU 533 Ca -0.15 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2ww0 n GLU 533 Cb 0.47 -4.48 0.00 0.00 -0.02 0.00 0.00 31.44 27.42 2ww0 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ww0 n GLY 534 N -1.79 -0.29 3.10 0.62 0.00 -1.26 -4.92 105.19 100.66 2ww0 n GLY 534 Ca -0.22 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 2ww0 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww0 n ASN 535 N 0.00 2.02 -0.30 1.61 0.23 -1.25 -1.38 115.26 116.19 2ww0 n ASN 535 Ca 0.00 -2.96 0.20 0.00 -0.53 0.00 0.00 54.58 51.29 2ww0 n ASN 535 Cb 0.00 0.68 0.48 0.00 -2.08 0.00 0.00 39.78 38.86 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 1.31 0.48 0.32 0.53 0.87 -1.65 0.18 113.55 115.59 2ww0 h SER 536 Ca -0.32 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2ww0 h SER 536 Cb 1.11 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ww0 h SER 536 CO 0.52 0.15 -0.06 -0.50 -0.53 0.00 0.00 176.83 176.41 2ww0 h TRP 537 N 0.46 0.00 0.05 2.24 4.06 -1.92 -0.97 115.95 119.87 2ww0 h TRP 537 Ca 0.54 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 61.13 2ww0 h TRP 537 Cb 1.28 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.40 2ww0 h TRP 537 CO -0.00 0.06 -2.10 0.72 -3.56 0.00 0.00 178.44 173.56 2ww0 n HIS 538 N -3.45 0.70 0.17 0.49 8.25 0.56 -4.51 115.22 117.43 2ww0 n HIS 538 Ca -0.02 0.18 0.05 0.00 -0.26 0.00 0.00 57.72 57.68 2ww0 n HIS 538 Cb 0.18 -1.09 0.09 0.00 1.12 0.00 0.00 29.99 30.30 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 -0.23 0.00 -0.08 4.41 -1.99 -1.24 -3.31 116.97 114.53 2ww0 h TYR 539 Ca -0.49 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.26 2ww0 h TYR 539 Cb 1.84 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.56 2ww0 h TYR 539 CO 0.05 0.36 0.22 1.15 -0.00 0.00 0.00 178.16 179.93 2ww0 h THR 540 N 0.00 0.16 -0.08 -2.88 2.02 -1.41 0.63 112.91 111.35 2ww0 h THR 540 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww0 h THR 540 Cb 1.25 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2ww0 h THR 540 CO 0.05 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.73 2ww0 n TRP 541 N -3.26 0.10 -1.78 3.16 7.02 -1.24 -4.62 117.44 116.82 2ww0 n TRP 541 Ca -0.01 -0.05 -0.41 0.00 -1.02 0.00 0.00 57.50 56.01 2ww0 n TRP 541 Cb 0.30 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.19 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 -0.06 5.22 -3.10 -0.99 7.64 0.21 -4.48 113.62 118.06 2ww0 n SER 542 Ca 0.17 -2.86 -0.20 0.00 1.01 0.00 0.00 58.87 56.99 2ww0 n SER 542 Cb 0.26 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 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 4.30 0.61 -0.28 0.44 0.31 -1.26 -4.75 118.33 117.70 2ww0 n VAL 543 Ca 0.55 -4.74 0.14 0.00 -0.01 0.00 0.00 64.34 60.28 2ww0 n VAL 543 Cb 0.35 -0.47 0.40 0.00 -0.91 0.00 0.00 33.84 33.20 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 2.99 0.81 0.00 3.52 -1.00 -1.89 -0.83 116.94 120.54 2ww0 h PHE 544 Ca 0.10 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2ww0 h PHE 544 Cb 0.88 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.19 2ww0 h PHE 544 CO 0.55 0.25 -0.29 1.12 -1.61 0.00 0.00 178.31 178.33 2ww0 h HIS 545 N 0.64 0.00 -1.87 -0.55 2.07 -1.92 -3.41 115.15 110.12 2ww0 h HIS 545 Ca 0.48 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.53 2ww0 h HIS 545 Cb 0.88 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 30.48 2ww0 h HIS 545 CO -0.00 0.00 -1.14 -3.47 -3.07 0.00 0.00 177.93 170.25 2ww0 n ASP 546 N -2.29 0.52 -0.24 3.10 2.03 -0.33 0.09 116.55 119.44 2ww0 n ASP 546 Ca 0.04 -3.01 -0.06 0.00 0.52 0.00 0.00 54.79 52.29 2ww0 n ASP 546 Cb 0.45 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.44 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 3.15 0.92 -0.97 -0.67 0.11 -1.76 -2.01 132.00 130.77 2ww0 h PRO 547 Ca 0.08 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 66.15 2ww0 h PRO 547 Cb 0.97 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.83 2ww0 h PRO 547 CO 0.47 0.67 0.63 0.37 -0.21 0.00 0.00 178.00 179.93 2ww0 h GLN 548 N 0.91 1.14 -0.58 1.05 5.75 -1.91 0.25 115.11 121.72 2ww0 h GLN 548 Ca 0.24 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.70 2ww0 h GLN 548 Cb 0.00 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 2ww0 h GLN 548 CO -0.04 0.76 0.38 0.78 -2.65 0.00 0.00 178.83 178.06 2ww0 h GLY 549 N 1.18 0.75 0.50 2.39 0.00 -1.77 0.39 103.07 106.51 2ww0 h GLY 549 Ca 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2ww0 h GLY 549 CO -0.15 0.22 -0.15 -2.00 0.00 0.00 0.00 176.54 174.46 2ww0 h LEU 550 N 0.66 0.19 -0.84 3.11 5.85 -0.75 -1.33 115.31 122.19 2ww0 h LEU 550 Ca 0.23 -0.66 0.16 0.00 0.84 0.00 0.00 57.88 58.45 2ww0 h LEU 550 Cb 0.11 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 2ww0 h LEU 550 CO -0.06 0.81 0.41 0.40 -0.34 0.00 0.00 178.44 179.66 2ww0 h ILE 551 N -0.43 0.68 -0.11 4.05 2.04 0.08 -0.99 117.51 122.84 2ww0 h ILE 551 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2ww0 h ILE 551 Cb 0.81 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2ww0 h ILE 551 CO 0.03 0.10 0.04 0.44 0.00 0.00 0.00 178.15 178.77 2ww0 h ASP 552 N 0.56 0.15 -0.22 1.72 3.32 -0.15 -2.36 116.42 119.44 2ww0 h ASP 552 Ca 0.47 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.42 2ww0 h ASP 552 Cb 0.71 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2ww0 h ASP 552 CO -0.39 0.27 0.18 -0.07 -1.72 0.00 0.00 179.24 177.51 2ww0 h LEU 553 N 0.02 0.00 -0.03 1.55 -0.00 -0.01 -1.00 115.31 115.83 2ww0 h LEU 553 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2ww0 h LEU 553 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2ww0 h LEU 553 CO -0.00 0.00 -0.13 0.23 -0.00 0.00 0.00 178.44 178.54 2ww0 n MET 554 N -4.20 0.14 -0.58 1.13 2.81 -0.74 -4.93 117.12 110.76 2ww0 n MET 554 Ca 0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2ww0 n MET 554 Cb 0.32 -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 1.45 0.55 0.00 3.03 0.00 -0.38 -4.65 105.19 105.19 2ww0 n GLY 555 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.32 -1.05 0.32 -0.02 0.00 -0.92 -4.27 105.19 98.93 2ww0 n GLY 556 Ca 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 1.09 -0.22 1.61 2.10 -1.93 -2.25 116.57 116.98 2ww0 h LYS 557 Ca 0.00 -0.14 0.05 0.00 -2.00 0.00 0.00 60.65 58.56 2ww0 h LYS 557 Cb 0.00 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 31.07 2ww0 h LYS 557 CO 0.00 0.83 -0.12 0.93 -2.00 0.00 0.00 179.45 179.08 2ww0 h GLU 558 N 1.07 -0.10 -0.43 0.07 3.07 -1.90 0.27 114.58 116.63 2ww0 h GLU 558 Ca 0.27 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2ww0 h GLU 558 Cb 0.07 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2ww0 h GLU 558 CO -0.04 -0.07 0.18 0.52 -1.40 0.00 0.00 179.01 178.20 2ww0 h MET 559 N -0.11 0.61 -0.01 2.33 2.86 -1.69 -0.98 114.93 117.94 2ww0 h MET 559 Ca 0.12 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2ww0 h MET 559 Cb 0.29 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ww0 h MET 559 CO -0.28 0.50 0.00 0.35 1.06 0.00 0.00 176.91 178.54 2ww0 h PHE 560 N 0.61 0.02 -0.75 -0.22 3.04 -0.51 -1.42 116.94 117.72 2ww0 h PHE 560 Ca 0.15 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2ww0 h PHE 560 Cb 0.11 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 2ww0 h PHE 560 CO 0.01 0.22 0.33 0.28 -2.02 0.00 0.00 178.31 177.13 2ww0 h VAL 561 N -0.19 1.24 -0.67 1.41 2.07 -0.22 -0.76 116.25 119.13 2ww0 h VAL 561 Ca 0.00 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.87 2ww0 h VAL 561 Cb 0.21 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2ww0 h VAL 561 CO -0.00 0.30 0.35 0.74 0.02 0.00 0.00 177.57 178.99 2ww0 h THR 562 N 1.07 0.92 -0.22 2.57 2.02 -1.01 0.16 112.91 118.41 2ww0 h THR 562 Ca 0.26 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2ww0 h THR 562 Cb 0.16 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2ww0 h THR 562 CO -0.03 0.12 0.10 -0.03 0.37 0.00 0.00 175.52 176.05 2ww0 h MET 563 N 0.64 0.33 -0.07 6.66 -1.53 -0.39 -2.63 114.93 117.93 2ww0 h MET 563 Ca 0.31 -0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.55 2ww0 h MET 563 Cb 0.26 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.23 2ww0 h MET 563 CO -0.22 0.35 -0.06 0.52 0.14 0.00 0.00 176.91 177.64 2ww0 h MET 564 N 0.23 -0.08 -0.70 0.39 2.86 -0.79 -3.03 114.93 113.81 2ww0 h MET 564 Ca 0.08 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 2ww0 h MET 564 Cb 0.14 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2ww0 h MET 564 CO -0.01 -0.05 0.47 -0.44 1.06 0.00 0.00 176.91 177.94 2ww0 h ASP 565 N -0.08 0.46 0.88 1.22 3.32 -0.76 0.19 116.42 121.64 2ww0 h ASP 565 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2ww0 h ASP 565 Cb 0.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2ww0 h ASP 565 CO -0.12 0.26 0.00 -1.54 -1.72 0.00 0.00 179.24 176.12 2ww0 n SER 566 N -4.48 0.01 -0.13 6.45 3.41 -1.01 -1.92 113.62 115.95 2ww0 n SER 566 Ca 0.12 0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 2ww0 n SER 566 Cb 0.41 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.16 0.00 -3.33 2.07 -0.61 -2.73 116.25 112.81 2ww0 h VAL 567 Ca 0.00 -0.43 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 2ww0 h VAL 567 Cb 0.44 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2ww0 h VAL 567 CO 0.00 0.17 -0.96 -0.26 0.02 0.00 0.00 177.57 176.54 2ww0 h PHE 568 N 0.52 0.00 0.00 1.57 0.04 -1.54 0.19 116.94 117.73 2ww0 h PHE 568 Ca 0.14 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.72 2ww0 h PHE 568 Cb 0.08 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2ww0 h PHE 568 CO -0.02 0.96 -0.86 0.00 -0.60 0.00 0.00 178.31 177.79 2ww0 h ALA 569 N 1.04 0.56 -2.29 2.45 0.00 -1.31 -3.19 119.26 116.52 2ww0 h ALA 569 Ca -0.01 -0.72 -0.48 0.00 0.00 0.00 0.00 54.91 53.70 2ww0 h ALA 569 Cb 1.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2ww0 h ALA 569 CO 0.13 0.93 0.19 0.14 0.00 0.00 0.00 179.25 180.64 2ww0 s VAL 570 N -3.20 4.54 0.82 0.00 -7.23 -1.04 -4.95 120.40 109.34 2ww0 s VAL 570 Ca -0.02 1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 61.25 2ww0 s VAL 570 Cb 0.10 -3.68 0.09 0.00 0.56 0.00 0.00 36.38 33.45 2ww0 s VAL 570 CO 0.82 -0.13 1.21 -2.16 -0.31 0.00 0.00 175.10 174.52 2ww0 s PRO 571 N -2.79 1.57 -1.61 4.82 0.04 -1.26 -3.97 135.00 131.80 2ww0 s PRO 571 Ca 0.54 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2ww0 s PRO 571 Cb -0.12 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2ww0 s PRO 571 CO 0.17 -2.27 2.90 -0.35 0.04 0.00 0.00 177.00 177.50 2ww0 n PRO 572 N -3.37 3.62 -2.27 0.56 -0.04 -1.26 -4.63 135.00 127.62 2ww0 n PRO 572 Ca 0.13 -2.23 -0.29 0.00 -0.04 0.00 0.00 63.50 61.08 2ww0 n PRO 572 Cb 0.51 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 2.27 4.81 0.17 0.52 1.10 -1.26 -4.78 121.20 124.02 2ww0 s ILE 573 Ca 0.68 0.54 -0.24 0.00 -0.51 0.00 0.00 60.65 61.12 2ww0 s ILE 573 Cb 0.18 -3.87 0.06 0.00 0.15 0.00 0.00 42.46 38.98 2ww0 s ILE 573 CO -0.06 -0.99 0.76 0.72 -2.11 0.00 0.00 174.94 173.26 2ww0 s PHE 574 N -2.95 -0.31 -0.22 3.50 -0.12 -1.26 -4.99 117.98 111.62 2ww0 s PHE 574 Ca 0.51 0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 2ww0 s PHE 574 Cb -0.11 0.62 0.06 0.00 -0.63 0.00 0.00 43.02 42.97 2ww0 s PHE 574 CO 0.49 -0.92 -0.01 0.34 -0.05 0.00 0.00 175.22 175.07 2ww0 s ASP 575 N -2.80 3.50 -0.14 1.98 -1.08 -0.87 -4.98 116.67 112.28 2ww0 s ASP 575 Ca 0.07 -1.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.20 2ww0 s ASP 575 Cb -0.03 -0.94 0.67 0.00 -1.46 0.00 0.00 42.92 41.16 2ww0 s ASP 575 CO -0.03 -0.27 1.58 -0.90 0.52 0.00 0.00 175.17 176.07 2ww0 n ASP 576 N 4.82 4.61 -0.27 -0.34 5.75 -1.26 -1.86 116.55 128.01 2ww0 n ASP 576 Ca -0.10 -2.59 0.24 0.00 -0.01 0.00 0.00 54.79 52.33 2ww0 n ASP 576 Cb 0.45 -0.56 0.58 0.00 -1.03 0.00 0.00 41.12 40.56 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 3.47 0.29 0.96 -1.12 4.64 -1.93 0.19 113.55 120.05 2ww0 h SER 577 Ca 0.00 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2ww0 h SER 577 Cb 1.48 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2ww0 h SER 577 CO 0.25 0.09 -0.06 0.22 -0.87 0.00 0.00 176.83 176.46 2ww0 h TYR 578 N 0.28 0.00 0.00 4.77 3.20 -1.82 -3.09 116.97 120.30 2ww0 h TYR 578 Ca 0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.38 2ww0 h TYR 578 Cb 1.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2ww0 h TYR 578 CO -0.00 0.06 -1.46 0.66 -1.64 0.00 0.00 178.16 175.78 2ww0 n TYR 579 N -3.19 0.00 0.00 -3.82 4.01 0.53 -4.96 117.16 109.73 2ww0 n TYR 579 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ww0 n TYR 579 Cb 0.33 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.61 2.44 3.12 2.72 0.00 -0.37 -4.92 105.19 109.79 2ww0 n GLY 580 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.68 -1.17 1.61 -2.07 -1.26 -4.99 119.66 112.47 2ww0 s GLN 581 Ca 0.00 -1.24 -0.21 0.00 -1.82 0.00 0.00 55.36 52.09 2ww0 s GLN 581 Cb 0.00 0.04 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 2ww0 s GLN 581 CO 0.00 -0.07 1.80 0.08 -1.32 0.00 0.00 175.29 175.78 2ww0 s VAL 582 N -3.68 3.80 0.78 3.63 1.01 -1.26 -4.94 120.40 119.74 2ww0 s VAL 582 Ca 0.08 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 2ww0 s VAL 582 Cb 0.06 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.66 2ww0 s VAL 582 CO -0.08 -1.50 0.85 2.30 0.00 0.00 0.00 175.10 176.67 2ww0 n ILE 583 N 7.17 1.93 -0.32 2.22 -5.35 -1.26 -4.56 119.36 119.19 2ww0 n ILE 583 Ca 0.44 -0.30 0.13 0.00 -0.27 0.00 0.00 62.75 62.75 2ww0 n ILE 583 Cb 0.47 -0.97 0.36 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.65 0.92 0.00 4.28 2.07 -1.78 -0.22 115.15 119.77 2ww0 h HIS 584 Ca -0.46 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.02 2ww0 h HIS 584 Cb 1.32 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 2ww0 h HIS 584 CO 0.40 0.27 -0.30 1.05 -3.07 0.00 0.00 177.93 176.28 2ww0 h GLU 585 N 0.72 0.00 -0.06 5.12 9.09 -1.88 0.90 114.58 128.47 2ww0 h GLU 585 Ca 0.52 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.87 2ww0 h GLU 585 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 2ww0 h GLU 585 CO -0.28 0.30 -0.19 0.82 0.05 0.00 0.00 179.01 179.71 2ww0 h ILE 586 N 0.00 1.44 -0.69 -1.06 2.04 -1.37 -2.99 117.51 114.88 2ww0 h ILE 586 Ca -0.00 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.35 2ww0 h ILE 586 Cb 0.62 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.95 2ww0 h ILE 586 CO 0.04 0.44 0.36 -0.09 0.00 0.00 0.00 178.15 178.90 2ww0 h ARG 587 N -0.28 0.62 -0.48 2.37 9.65 -1.02 -1.72 114.38 123.51 2ww0 h ARG 587 Ca -0.01 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2ww0 h ARG 587 Cb 0.82 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 2ww0 h ARG 587 CO 0.04 0.41 0.32 0.93 2.80 0.00 0.00 179.97 184.47 2ww0 h GLU 588 N 0.64 0.60 -0.13 0.20 5.08 -0.84 -1.72 114.58 118.40 2ww0 h GLU 588 Ca 0.33 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2ww0 h GLU 588 Cb 0.29 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ww0 h GLU 588 CO -0.23 0.40 -0.20 1.98 -1.00 0.00 0.00 179.01 179.96 2ww0 h MET 589 N 0.62 0.37 -0.79 2.33 4.05 -1.18 -3.31 114.93 117.02 2ww0 h MET 589 Ca 0.18 -0.22 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2ww0 h MET 589 Cb -0.03 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 2ww0 h MET 589 CO -0.04 0.80 0.52 1.79 0.23 0.00 0.00 176.91 180.20 2ww0 h THR 590 N -0.03 1.09 0.00 -0.77 1.35 -0.69 -2.84 112.91 111.01 2ww0 h THR 590 Ca 0.01 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 2ww0 h THR 590 Cb 0.77 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 2ww0 h THR 590 CO 0.05 0.17 -0.23 -0.37 -0.25 0.00 0.00 175.52 174.88 2ww0 h VAL 591 N 0.92 0.44 0.00 6.82 -1.51 -1.58 -3.28 116.25 118.05 2ww0 h VAL 591 Ca 0.32 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2ww0 h VAL 591 Cb 0.12 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2ww0 h VAL 591 CO -0.10 0.23 -0.00 0.24 -1.23 0.00 0.00 177.57 176.70 2ww0 h MET 592 N 0.00 0.00 -5.43 5.19 2.07 -1.60 -3.47 114.93 111.69 2ww0 h MET 592 Ca -0.00 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.30 2ww0 h MET 592 Cb 1.03 0.00 0.15 0.00 -1.87 0.00 0.00 31.60 30.92 2ww0 h MET 592 CO 0.03 0.00 -0.70 -1.71 1.07 0.00 0.00 176.91 175.60 2ww0 n ASN 593 N -2.57 -3.05 -2.81 1.22 4.05 -1.24 -4.93 115.26 105.92 2ww0 n ASN 593 Ca 0.05 -0.56 -0.19 0.00 0.45 0.00 0.00 54.58 54.33 2ww0 n ASN 593 Cb 0.47 -4.79 -0.01 0.00 1.23 0.00 0.00 39.78 36.68 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 -4.11 2.08 0.00 1.20 2.81 -1.26 -5.10 117.12 112.74 2ww0 n MET 594 Ca -0.20 -3.92 0.00 0.00 -1.81 0.00 0.00 57.70 51.77 2ww0 n MET 594 Cb 0.63 -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 -0.11 2.84 1.59 3.03 0.00 -1.21 -1.41 105.19 109.91 2ww0 n GLY 595 Ca 0.25 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 1.99 4.71 -4.56 1.61 3.02 0.67 -4.06 115.26 118.65 2ww0 n ASN 596 Ca 0.00 -2.49 -0.37 0.00 -0.03 0.00 0.00 54.58 51.68 2ww0 n ASN 596 Cb 0.00 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.55 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 -1.96 2.17 -1.25 3.10 5.04 -0.50 -4.89 117.35 119.06 2ww0 s TYR 597 Ca 0.49 -0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.97 2ww0 s TYR 597 Cb 0.33 -4.45 0.19 0.00 0.35 0.00 0.00 41.96 38.38 2ww0 s TYR 597 CO 0.22 -1.99 1.84 0.00 -1.34 0.00 0.00 175.55 174.28 2ww0 n ALA 598 N 10.72 5.39 0.33 3.97 0.00 -1.26 -4.78 120.51 134.89 2ww0 n ALA 598 Ca 0.25 -4.38 0.22 0.00 0.00 0.00 0.00 53.44 49.53 2ww0 n ALA 598 Cb 0.50 -2.89 1.18 0.00 0.00 0.00 0.00 19.45 18.24 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 5.66 0.00 0.00 0.00 2.76 -1.92 -0.61 115.15 121.03 2ww0 h HIS 599 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2ww0 h HIS 599 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2ww0 h HIS 599 CO 1.23 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.27 2ww0 n GLY 600 N -1.09 -0.72 3.23 5.26 0.00 -1.26 -4.71 105.19 105.90 2ww0 n GLY 600 Ca -0.03 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.17 1.70 0.17 1.61 2.47 -0.24 -3.84 114.94 113.64 2ww0 s ASN 601 Ca 0.02 -0.96 -0.09 0.00 0.42 0.00 0.00 52.86 52.25 2ww0 s ASN 601 Cb 0.04 -0.00 0.03 0.00 -1.45 0.00 0.00 41.25 39.87 2ww0 s ASN 601 CO 0.12 -0.32 1.55 1.56 -3.72 0.00 0.00 177.10 176.29 2ww0 h GLN 602 N 2.98 0.95 -0.86 0.43 7.50 -1.84 -3.29 115.11 120.97 2ww0 h GLN 602 Ca -0.37 -0.42 0.13 0.00 0.50 0.00 0.00 58.65 58.49 2ww0 h GLN 602 Cb 1.19 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 28.63 2ww0 h GLN 602 CO 0.61 1.08 0.56 -1.35 -1.50 0.00 0.00 178.83 178.23 2ww0 h PRO 603 N 0.81 0.68 -0.24 1.46 0.11 -1.92 -2.14 132.00 130.77 2ww0 h PRO 603 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2ww0 h PRO 603 Cb 0.82 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2ww0 h PRO 603 CO 0.07 0.45 0.00 1.51 -0.21 0.00 0.00 178.00 179.82 2ww0 n ILE 604 N -4.54 0.30 0.35 4.15 3.06 -1.24 -4.49 119.36 116.96 2ww0 n ILE 604 Ca 0.16 -0.52 0.14 0.00 -2.50 0.00 0.00 62.75 60.02 2ww0 n ILE 604 Cb 0.42 0.74 0.57 0.00 0.54 0.00 0.00 39.64 41.90 2ww0 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww0 h GLN 605 N 3.40 0.00 0.00 9.51 4.20 -1.53 -1.92 115.11 128.76 2ww0 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww0 h GLN 605 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2ww0 h GLN 605 CO 0.00 0.00 -1.25 -2.39 -0.67 0.00 0.00 178.83 174.52 2ww0 n HIS 606 N -2.50 0.23 -0.11 2.96 1.44 -1.26 -4.70 115.22 111.28 2ww0 n HIS 606 Ca 0.01 0.07 -0.05 0.00 -2.01 0.00 0.00 57.72 55.74 2ww0 n HIS 606 Cb 0.24 -0.44 0.02 0.00 0.12 0.00 0.00 29.99 29.93 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 0.07 -0.91 -1.40 -1.53 -1.65 -1.42 114.93 108.10 2ww0 h MET 607 Ca 0.00 -0.00 0.22 0.00 -3.44 0.00 0.00 59.70 56.48 2ww0 h MET 607 Cb 0.78 -0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 31.76 2ww0 h MET 607 CO 0.00 0.05 0.61 0.82 0.14 0.00 0.00 176.91 178.53 2ww0 h ILE 608 N 0.07 0.64 0.00 1.77 2.04 -1.84 0.38 117.51 120.58 2ww0 h ILE 608 Ca 0.18 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2ww0 h ILE 608 Cb 0.26 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ww0 h ILE 608 CO -0.33 0.06 -0.08 1.88 0.00 0.00 0.00 178.15 179.68 2ww0 h TYR 609 N 0.31 0.00 -0.16 1.37 -1.99 -1.60 -2.53 116.97 112.38 2ww0 h TYR 609 Ca 0.47 0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.24 2ww0 h TYR 609 Cb 1.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.04 2ww0 h TYR 609 CO -0.00 0.08 0.14 -0.07 -0.00 0.00 0.00 178.16 178.31 2ww0 h LEU 610 N 0.00 0.00 -1.58 3.88 4.07 -0.30 -0.53 115.31 120.85 2ww0 h LEU 610 Ca -0.00 0.00 0.25 0.00 0.08 0.00 0.00 57.88 58.21 2ww0 h LEU 610 Cb 0.40 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.07 2ww0 h LEU 610 CO 0.01 0.00 0.66 1.88 -1.08 0.00 0.00 178.44 179.91 2ww0 h TYR 611 N 0.00 0.45 -0.80 1.13 0.05 -1.59 0.15 116.97 116.35 2ww0 h TYR 611 Ca 0.07 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2ww0 h TYR 611 Cb 0.36 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 2ww0 h TYR 611 CO 0.00 0.08 0.48 -0.44 -1.05 0.00 0.00 178.16 177.23 2ww0 h ASP 612 N 0.30 0.96 0.82 3.88 5.19 -1.32 -1.88 116.42 124.38 2ww0 h ASP 612 Ca 0.52 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 2ww0 h ASP 612 Cb 1.48 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2ww0 h ASP 612 CO -0.18 0.74 0.00 1.88 -3.12 0.00 0.00 179.24 178.56 2ww0 h TYR 613 N 1.11 0.00 -0.50 4.55 -1.99 -0.85 -2.84 116.97 116.44 2ww0 h TYR 613 Ca 0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 2ww0 n ALA 614 N -1.97 2.55 -1.78 3.88 0.00 -0.74 -4.93 120.51 117.53 2ww0 n ALA 614 Ca 0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 53.44 51.97 2ww0 n ALA 614 Cb 0.25 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 0.81 0.35 2.32 0.00 0.00 -1.07 -4.90 105.19 102.70 2ww0 n GLY 615 Ca 0.19 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.82 1.36 0.32 1.61 6.02 -1.01 -4.61 117.38 119.26 2ww0 n GLN 616 Ca -0.04 -3.65 0.20 0.00 -0.01 0.00 0.00 57.00 53.50 2ww0 n GLN 616 Cb 0.41 -1.75 1.09 0.00 1.02 0.00 0.00 30.24 31.00 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 3.15 0.00 0.00 -1.09 0.13 -1.84 -1.69 132.00 130.67 2ww0 h PRO 617 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 2ww0 h PRO 617 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ww0 h PRO 617 CO 0.56 0.00 -0.48 0.11 -0.23 0.00 0.00 178.00 177.96 2ww0 h TRP 618 N 0.00 0.00 -0.24 1.56 0.09 -1.90 -0.51 115.95 114.95 2ww0 h TRP 618 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 58.84 2ww0 h TRP 618 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.27 2ww0 h TRP 618 CO 0.00 0.48 -0.45 0.87 0.09 0.00 0.00 178.44 179.43 2ww0 h LYS 619 N 0.00 0.61 -0.50 0.12 1.57 -1.69 -0.38 116.57 116.30 2ww0 h LYS 619 Ca -0.00 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2ww0 h LYS 619 Cb 0.85 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2ww0 h LYS 619 CO 0.06 0.94 0.16 0.00 -0.57 0.00 0.00 179.45 180.04 2ww0 h ALA 620 N 1.01 0.65 -0.53 3.86 0.00 -1.51 -2.32 119.26 120.42 2ww0 h ALA 620 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2ww0 h ALA 620 Cb 0.98 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2ww0 h ALA 620 CO 0.09 0.30 0.34 1.96 0.00 0.00 0.00 179.25 181.94 2ww0 h GLN 621 N 0.67 0.67 0.12 0.00 4.20 -0.76 -0.63 115.11 119.38 2ww0 h GLN 621 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2ww0 h GLN 621 Cb 0.27 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2ww0 h GLN 621 CO -0.01 0.44 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.55 2ww0 h TYR 622 N 0.69 -0.32 -0.11 2.96 3.20 -0.91 -2.68 116.97 119.79 2ww0 h TYR 622 Ca 0.20 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 2ww0 h TYR 622 Cb -0.05 0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.35 2ww0 h TYR 622 CO -0.05 -0.19 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.32 2ww0 h TRP 623 N -0.27 0.69 -0.63 -3.82 4.06 -1.30 -2.69 115.95 111.98 2ww0 h TRP 623 Ca 0.01 -0.29 0.13 0.00 2.06 0.00 0.00 58.89 60.79 2ww0 h TRP 623 Cb 0.27 -0.11 -0.10 0.00 -1.00 0.00 0.00 29.16 28.22 2ww0 h TRP 623 CO -0.13 1.06 0.07 -0.07 -3.56 0.00 0.00 178.44 175.81 2ww0 h LEU 624 N 0.11 -0.15 -1.08 -4.49 4.07 -1.16 0.32 115.31 112.94 2ww0 h LEU 624 Ca -0.03 0.14 -0.07 0.00 0.08 0.00 0.00 57.88 58.00 2ww0 h LEU 624 Cb 1.10 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2ww0 h LEU 624 CO 0.10 -0.07 -0.08 -0.09 -1.08 0.00 0.00 178.44 177.22 2ww0 h ARG 625 N 0.18 0.56 0.07 1.13 9.65 -1.45 -0.75 114.38 123.78 2ww0 h ARG 625 Ca 0.34 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 59.08 2ww0 h ARG 625 Cb 0.54 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 2ww0 h ARG 625 CO -0.49 0.64 -0.22 1.96 2.80 0.00 0.00 179.97 184.67 2ww0 h GLN 626 N 0.52 -0.37 -0.04 0.20 1.08 -0.73 -1.25 115.11 114.52 2ww0 h GLN 626 Ca 0.10 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2ww0 h GLN 626 Cb 0.46 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2ww0 h GLN 626 CO 0.02 -0.25 -0.04 0.28 -0.95 0.00 0.00 178.83 177.90 2ww0 h VAL 627 N -0.39 0.89 0.00 -0.54 2.07 -0.41 -0.24 116.25 117.63 2ww0 h VAL 627 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2ww0 h VAL 627 Cb 0.43 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2ww0 h VAL 627 CO -0.15 0.00 -0.10 0.24 0.02 0.00 0.00 177.57 177.58 2ww0 h MET 628 N -0.04 0.00 0.10 1.57 2.86 -1.03 0.76 114.93 119.14 2ww0 h MET 628 Ca 0.03 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.40 2ww0 h MET 628 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2ww0 h MET 628 CO -0.07 0.10 -1.29 -0.44 1.06 0.00 0.00 176.91 176.27 2ww0 h ASP 629 N 0.00 0.32 0.00 1.22 3.32 -0.75 -3.40 116.42 117.13 2ww0 h ASP 629 Ca -0.00 -0.37 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 2ww0 h ASP 629 Cb 0.18 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2ww0 h ASP 629 CO 0.01 1.30 -1.66 0.54 -1.72 0.00 0.00 179.24 177.71 2ww0 n ARG 630 N -3.46 1.86 -0.01 3.56 1.74 -0.14 -4.64 116.66 115.56 2ww0 n ARG 630 Ca -0.09 -0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.09 2ww0 n ARG 630 Cb 1.02 -1.26 0.25 0.00 -1.02 0.00 0.00 32.46 31.44 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 -2.27 2.11 -3.75 5.56 2.81 0.22 -4.83 117.12 116.98 2ww0 n MET 631 Ca -0.13 -1.62 -0.18 0.00 -1.81 0.00 0.00 57.70 53.96 2ww0 n MET 631 Cb 0.71 -1.47 -0.17 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.96 0.13 0.13 2.03 1.51 -1.26 -3.44 117.35 114.50 2ww0 s TYR 632 Ca 0.32 0.14 0.04 0.00 -1.01 0.00 0.00 57.07 56.56 2ww0 s TYR 632 Cb 0.20 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 2ww0 s TYR 632 CO 0.31 -0.16 -0.10 0.95 -1.11 0.00 0.00 175.55 175.45 2ww0 s THR 633 N 1.61 1.07 -2.22 -0.71 -4.23 0.00 -4.85 115.64 106.31 2ww0 s THR 633 Ca -0.02 -1.96 0.21 0.00 -1.18 0.00 0.00 61.69 58.74 2ww0 s THR 633 Cb -0.13 -1.73 0.48 0.00 1.34 0.00 0.00 72.50 72.46 2ww0 s THR 633 CO -0.03 -0.72 1.59 -0.81 -0.54 0.00 0.00 174.62 174.11 2ww0 n PRO 634 N -0.02 1.57 -0.79 3.99 -0.04 -1.26 -4.09 135.00 134.35 2ww0 n PRO 634 Ca -0.12 -0.85 -0.09 0.00 -0.04 0.00 0.00 63.50 62.41 2ww0 n PRO 634 Cb 0.60 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.06 -0.63 0.25 0.55 0.00 -1.26 -4.75 105.19 100.41 2ww0 n GLY 635 Ca 0.16 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.36 1.61 0.11 -1.92 -2.13 132.00 128.31 2ww0 h PRO 636 Ca -0.12 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.30 2ww0 h PRO 636 Cb 0.37 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.17 2ww0 h PRO 636 CO 0.10 0.13 0.58 -0.40 -0.21 0.00 0.00 178.00 178.20 2ww0 n ASP 637 N -4.03 7.03 0.07 -2.05 3.85 -1.26 0.11 116.55 120.26 2ww0 n ASP 637 Ca -0.02 -3.80 -0.07 0.00 -0.71 0.00 0.00 54.79 50.20 2ww0 n ASP 637 Cb 0.21 -0.88 0.09 0.00 -1.35 0.00 0.00 41.12 39.19 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 2.42 0.32 -1.39 6.12 0.00 -1.45 -3.46 103.07 105.63 2ww0 h GLY 638 Ca 0.54 -0.42 -0.46 0.00 0.00 0.00 0.00 47.33 46.99 2ww0 h GLY 638 CO 1.37 0.38 0.13 -0.19 0.00 0.00 0.00 176.54 178.23 2ww0 s TYR 639 N -3.71 2.22 -0.76 5.60 1.51 -0.31 -0.82 117.35 121.08 2ww0 s TYR 639 Ca -0.04 0.02 0.09 0.00 -1.01 0.00 0.00 57.07 56.12 2ww0 s TYR 639 Cb 0.11 -3.10 0.24 0.00 -0.11 0.00 0.00 41.96 39.10 2ww0 s TYR 639 CO 0.81 -1.53 1.18 0.00 -1.11 0.00 0.00 175.55 174.90 2ww0 n GLY 641 N 0.32 0.55 3.76 0.00 0.00 -1.23 -4.48 105.19 104.11 2ww0 n GLY 641 Ca 0.09 -0.94 -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 -2.16 6.36 0.25 1.61 1.01 -1.25 -2.83 116.67 119.65 2ww0 s ASP 642 Ca 0.12 3.00 0.03 0.00 0.71 0.00 0.00 52.55 56.41 2ww0 s ASP 642 Cb -0.00 -2.65 0.31 0.00 1.01 0.00 0.00 42.92 41.59 2ww0 s ASP 642 CO 0.00 -0.90 1.62 -0.08 0.21 0.00 0.00 175.17 176.02 2ww0 h GLU 643 N 4.04 0.36 -5.63 8.23 4.22 -1.57 -3.44 114.58 120.80 2ww0 h GLU 643 Ca -0.49 -0.19 -0.30 0.00 0.08 0.00 0.00 59.36 58.46 2ww0 h GLU 643 Cb 1.23 0.01 0.17 0.00 0.50 0.00 0.00 28.75 30.66 2ww0 h GLU 643 CO 0.73 0.75 -0.85 -0.25 -2.18 0.00 0.00 179.01 177.21 2ww0 n ASP 644 N -3.99 -5.24 -3.18 1.04 8.00 -1.26 -1.89 116.55 110.03 2ww0 n ASP 644 Ca -0.02 -0.74 -0.23 0.00 0.71 0.00 0.00 54.79 54.51 2ww0 n ASP 644 Cb 0.53 -4.89 0.03 0.00 -0.02 0.00 0.00 41.12 36.77 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 -3.13 -5.46 0.00 -2.24 4.13 -1.26 -2.50 115.26 104.80 2ww0 n ASN 645 Ca -0.13 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.78 2ww0 n ASN 645 Cb 0.63 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 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 -1.47 2.69 0.35 7.41 0.00 -1.24 -4.59 105.19 108.35 2ww0 n GLY 646 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 2.09 -0.82 0.00 1.61 5.75 -1.50 0.75 115.11 122.98 2ww0 h GLN 647 Ca 0.00 0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2ww0 h GLN 647 Cb 0.00 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2ww0 h GLN 647 CO 0.00 -0.51 -0.21 1.15 -2.65 0.00 0.00 178.83 176.61 2ww0 h THR 648 N -0.98 1.13 -0.01 2.39 2.02 -1.61 -1.50 112.91 114.34 2ww0 h THR 648 Ca -0.09 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 2ww0 h THR 648 Cb 0.69 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2ww0 h THR 648 CO 0.14 0.20 -0.10 0.28 0.37 0.00 0.00 175.52 176.42 2ww0 h SER 649 N 0.00 0.11 0.08 4.18 0.02 -1.67 -3.25 113.55 113.02 2ww0 h SER 649 Ca -0.00 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 2ww0 h SER 649 Cb 0.37 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2ww0 h SER 649 CO 0.03 0.79 -0.05 0.00 -1.14 0.00 0.00 176.83 176.46 2ww0 h ALA 650 N 0.33 1.65 -0.55 3.77 0.00 0.75 -1.22 119.26 123.99 2ww0 h ALA 650 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ww0 h ALA 650 Cb 0.79 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2ww0 h ALA 650 CO 0.02 0.06 0.35 2.35 0.00 0.00 0.00 179.25 182.03 2ww0 h TRP 651 N 0.00 0.70 -0.46 0.00 7.01 -1.31 0.35 115.95 122.24 2ww0 h TRP 651 Ca -0.00 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2ww0 h TRP 651 Cb 0.10 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 2ww0 h TRP 651 CO 0.00 0.45 0.01 -0.92 -2.79 0.00 0.00 178.44 175.19 2ww0 h TYR 652 N 0.74 0.87 0.27 2.65 5.03 -1.28 -0.81 116.97 124.43 2ww0 h TYR 652 Ca 0.20 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 2ww0 h TYR 652 Cb -0.07 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 2ww0 h TYR 652 CO -0.03 0.84 -0.22 0.28 -1.32 0.00 0.00 178.16 177.71 2ww0 h VAL 653 N 0.65 0.52 0.60 1.81 2.07 -0.82 0.19 116.25 121.27 2ww0 h VAL 653 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2ww0 h VAL 653 Cb 0.49 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2ww0 h VAL 653 CO 0.02 0.00 -0.41 -0.26 0.02 0.00 0.00 177.57 176.94 2ww0 h PHE 654 N -0.51 -1.10 -0.91 1.57 0.04 -0.95 -2.63 116.94 112.45 2ww0 h PHE 654 Ca -0.01 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.88 2ww0 h PHE 654 Cb 0.45 0.40 -0.07 0.00 2.20 0.00 0.00 35.95 38.93 2ww0 h PHE 654 CO -0.14 -0.61 0.58 0.77 -0.60 0.00 0.00 178.31 178.32 2ww0 h SER 655 N -0.97 0.73 0.27 2.17 0.02 -0.96 0.27 113.55 115.08 2ww0 h SER 655 Ca -0.07 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2ww0 h SER 655 Cb 0.80 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2ww0 h SER 655 CO 0.05 0.39 -0.31 0.00 -1.14 0.00 0.00 176.83 175.81 2ww0 h ALA 656 N 1.58 1.41 -0.07 3.77 0.00 -0.51 -2.40 119.26 123.04 2ww0 h ALA 656 Ca 0.45 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2ww0 h ALA 656 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ww0 h ALA 656 CO -0.21 0.43 -0.66 -0.07 0.00 0.00 0.00 179.25 178.74 2ww0 h LEU 657 N 0.06 0.32 0.00 0.00 3.38 -0.14 0.14 115.31 119.07 2ww0 h LEU 657 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ww0 h LEU 657 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ww0 h LEU 657 CO 0.04 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2ww0 n GLY 658 N 0.40 0.80 3.49 0.83 0.00 -0.56 -4.46 105.19 105.69 2ww0 n GLY 658 Ca -0.03 0.00 -0.09 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 -1.61 0.02 -0.15 1.61 -0.12 -1.20 0.13 117.98 116.66 2ww0 s PHE 659 Ca 0.00 -0.37 -0.13 0.00 -0.05 0.00 0.00 56.93 56.38 2ww0 s PHE 659 Cb 0.00 0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2ww0 s PHE 659 CO 0.00 -0.88 0.39 -0.47 -0.05 0.00 0.00 175.22 174.21 2ww0 s TYR 660 N -3.90 -0.45 -1.34 3.49 6.14 0.13 -3.72 117.35 117.69 2ww0 s TYR 660 Ca 0.12 1.07 -0.16 0.00 0.64 0.00 0.00 57.07 58.73 2ww0 s TYR 660 Cb -0.00 0.16 0.07 0.00 0.42 0.00 0.00 41.96 42.61 2ww0 s TYR 660 CO -0.01 -0.22 1.88 -0.35 0.64 0.00 0.00 175.55 177.48 2ww0 n PRO 661 N 3.03 3.11 -0.26 4.97 -0.04 -1.26 -0.06 135.00 144.49 2ww0 n PRO 661 Ca -0.14 -3.11 0.04 0.00 -0.04 0.00 0.00 63.50 60.25 2ww0 n PRO 661 Cb 0.57 -3.40 0.18 0.00 -0.04 0.00 0.00 33.50 30.81 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 4.98 0.75 -2.95 0.52 2.07 -1.87 -3.33 116.25 116.43 2ww0 h VAL 662 Ca 0.48 -0.19 -0.61 0.00 0.82 0.00 0.00 66.70 67.19 2ww0 h VAL 662 Cb 0.79 0.15 -0.41 0.00 -1.52 0.00 0.00 31.29 30.30 2ww0 h VAL 662 CO 1.59 0.10 -0.67 0.00 0.02 0.00 0.00 177.57 178.61 2ww0 n PRO 664 N 2.32 1.89 0.00 0.00 -0.02 -1.25 -1.82 135.00 136.11 2ww0 n PRO 664 Ca 0.20 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2ww0 n PRO 664 Cb 0.37 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.89 2.84 4.02 -1.23 0.00 -1.26 -4.85 105.19 105.59 2ww0 n GLY 665 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.49 2.36 -0.34 2.61 -4.23 -0.76 -4.91 115.64 107.88 2ww0 s THR 666 Ca 0.00 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 2ww0 s THR 666 Cb 0.00 -2.45 0.73 0.00 1.34 0.00 0.00 72.50 72.12 2ww0 s THR 666 CO 0.00 0.00 1.81 -0.90 -0.54 0.00 0.00 174.62 174.99 2ww0 n ASP 667 N -2.26 4.62 -4.50 3.99 5.75 -1.26 -4.96 116.55 117.93 2ww0 n ASP 667 Ca 0.13 -3.29 -0.33 0.00 -0.01 0.00 0.00 54.79 51.29 2ww0 n ASP 667 Cb 0.61 -0.75 -0.12 0.00 -1.03 0.00 0.00 41.12 39.82 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 -3.04 2.92 -0.23 0.11 2.02 -1.26 0.03 118.70 119.26 2ww0 s GLU 668 Ca 0.55 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 2ww0 s GLU 668 Cb 0.44 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 32.10 2ww0 s GLU 668 CO 0.13 0.51 -0.06 0.71 0.02 0.00 0.00 175.26 176.57 2ww0 s TYR 669 N -0.42 2.98 0.32 1.61 1.51 -0.23 -4.51 117.35 118.61 2ww0 s TYR 669 Ca 0.06 -1.21 -0.28 0.00 -1.01 0.00 0.00 57.07 54.63 2ww0 s TYR 669 Cb -0.12 -2.08 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 2ww0 s TYR 669 CO 0.02 -0.64 1.06 0.08 -1.11 0.00 0.00 175.55 174.96 2ww0 s VAL 670 N 1.41 3.66 -0.01 0.71 1.01 0.91 -1.12 120.40 126.98 2ww0 s VAL 670 Ca 0.04 1.53 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 2ww0 s VAL 670 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ww0 s VAL 670 CO -0.05 0.25 0.89 -0.32 0.00 0.00 0.00 175.10 175.88 2ww0 s MET 671 N -1.78 4.53 0.00 2.72 1.75 0.70 -0.69 119.30 126.53 2ww0 s MET 671 Ca 0.49 1.25 0.00 0.00 -1.25 0.00 0.00 55.69 56.18 2ww0 s MET 671 Cb -0.27 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 33.95 2ww0 s MET 671 CO 0.35 0.02 0.00 0.41 -0.65 0.00 0.00 175.02 175.15 2ww0 n GLY 672 N 2.87 1.35 3.07 2.11 0.00 0.35 -4.92 105.19 110.02 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 2.98 -0.03 0.30 2.61 -1.32 -1.23 -4.74 115.64 114.20 2ww0 s THR 673 Ca 0.00 0.13 -0.28 0.00 -1.21 0.00 0.00 61.69 60.32 2ww0 s THR 673 Cb 0.00 -0.38 -0.09 0.00 -1.51 0.00 0.00 72.50 70.52 2ww0 s THR 673 CO 0.00 0.05 1.07 -2.16 -2.21 0.00 0.00 174.62 171.37 2ww0 s PRO 674 N 1.11 4.56 0.17 7.08 0.04 -1.26 -4.33 135.00 142.37 2ww0 s PRO 674 Ca -0.08 1.70 0.20 0.00 0.04 0.00 0.00 61.00 62.86 2ww0 s PRO 674 Cb -0.09 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2ww0 s PRO 674 CO -0.07 0.17 1.01 1.25 0.04 0.00 0.00 177.00 179.39 2ww0 h LEU 675 N 3.55 0.00 -9.74 -3.56 5.85 -0.93 -3.48 115.31 106.99 2ww0 h LEU 675 Ca -0.47 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.72 2ww0 h LEU 675 Cb 1.21 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 2ww0 h LEU 675 CO 0.66 0.20 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.02 2ww0 s PHE 676 N -3.21 2.85 0.14 1.25 0.08 -1.26 -4.92 117.98 112.93 2ww0 s PHE 676 Ca -0.01 -0.21 0.20 0.00 0.12 0.00 0.00 56.93 57.03 2ww0 s PHE 676 Cb 0.09 -1.37 0.71 0.00 -0.57 0.00 0.00 43.02 41.88 2ww0 s PHE 676 CO 0.79 0.52 1.74 1.57 -0.10 0.00 0.00 175.22 179.74 2ww0 h LYS 677 N 1.66 0.00 -2.33 0.44 2.10 -1.30 -3.41 116.57 113.73 2ww0 h LYS 677 Ca -0.46 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.14 2ww0 h LYS 677 Cb 1.25 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.34 2ww0 h LYS 677 CO 0.61 0.34 -0.11 0.21 -2.00 0.00 0.00 179.45 178.50 2ww0 s LYS 678 N -3.59 0.59 0.01 0.07 2.20 -1.01 0.04 119.74 118.04 2ww0 s LYS 678 Ca 0.00 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2ww0 s LYS 678 Cb 0.11 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2ww0 s LYS 678 CO 0.68 -0.13 -0.12 0.00 -0.36 0.00 0.00 175.35 175.41 2ww0 s ALA 679 N 1.14 1.02 -0.07 3.13 0.00 -0.83 -0.64 121.76 125.51 2ww0 s ALA 679 Ca -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2ww0 s ALA 679 Cb -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2ww0 s ALA 679 CO -0.11 0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.70 2ww0 s THR 680 N -0.52 1.39 -0.11 0.00 2.01 0.50 0.16 115.64 119.07 2ww0 s THR 680 Ca 0.03 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 2ww0 s THR 680 Cb -0.06 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2ww0 s THR 680 CO 0.00 0.41 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.58 2ww0 s LEU 681 N 0.44 3.53 -0.33 4.42 1.43 0.40 -1.72 118.68 126.85 2ww0 s LEU 681 Ca -0.13 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2ww0 s LEU 681 Cb -0.15 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2ww0 s LEU 681 CO 0.04 0.31 0.05 -1.00 0.23 0.00 0.00 176.35 175.99 2ww0 s HIS 682 N -0.49 3.43 0.52 0.29 3.76 -0.22 -1.02 115.29 121.57 2ww0 s HIS 682 Ca 0.09 -2.24 -0.10 0.00 -0.15 0.00 0.00 55.06 52.66 2ww0 s HIS 682 Cb -0.12 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.99 2ww0 s HIS 682 CO 0.02 -0.88 0.89 -0.06 -0.85 0.00 0.00 174.74 173.86 2ww0 s PHE 683 N 1.15 3.56 0.59 1.40 0.08 -0.69 -4.82 117.98 119.25 2ww0 s PHE 683 Ca 0.01 1.10 0.36 0.00 0.12 0.00 0.00 56.93 58.52 2ww0 s PHE 683 Cb -0.20 -2.53 2.05 0.00 -0.57 0.00 0.00 43.02 41.76 2ww0 s PHE 683 CO -0.03 -0.41 2.29 0.93 -0.10 0.00 0.00 175.22 177.90 2ww0 h GLU 684 N 0.29 0.00 0.00 0.44 5.08 -1.88 -1.57 114.58 116.94 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 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 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 -3.48 0.00 0.00 1.42 2.04 -1.26 -4.88 115.26 109.10 2ww0 n ASN 685 Ca -0.03 -0.82 0.00 0.00 -0.44 0.00 0.00 54.58 53.29 2ww0 n ASN 685 Cb 0.10 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 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 0.79 2.30 3.91 4.83 0.00 -0.59 -5.06 105.19 111.36 2ww0 n GLY 686 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.34 5.70 0.09 1.61 0.01 -1.26 -4.89 114.94 114.86 2ww0 s ASN 687 Ca 0.00 0.83 0.06 0.00 -0.71 0.00 0.00 52.86 53.04 2ww0 s ASN 687 Cb 0.00 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 2ww0 s ASN 687 CO 0.00 -1.01 -0.16 -0.44 -1.51 0.00 0.00 177.10 173.98 2ww0 s SER 688 N -4.28 1.96 -0.12 -1.22 0.01 -1.26 -1.70 113.70 107.09 2ww0 s SER 688 Ca 0.53 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2ww0 s SER 688 Cb -0.11 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2ww0 s SER 688 CO 0.46 -0.05 -0.12 -0.22 0.41 0.00 0.00 173.24 173.72 2ww0 s LEU 689 N -1.91 1.53 -0.20 2.44 1.98 -0.19 -0.97 118.68 121.36 2ww0 s LEU 689 Ca 0.02 -0.39 -0.08 0.00 -2.89 0.00 0.00 54.13 50.79 2ww0 s LEU 689 Cb -0.09 -1.01 -0.04 0.00 0.66 0.00 0.00 46.19 45.71 2ww0 s LEU 689 CO 0.03 -0.05 0.07 -0.69 -1.89 0.00 0.00 176.35 173.83 2ww0 s VAL 690 N 1.33 4.72 -0.45 1.68 1.01 -0.26 -0.45 120.40 127.98 2ww0 s VAL 690 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2ww0 s VAL 690 Cb -0.14 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.19 2ww0 s VAL 690 CO -0.06 0.42 0.31 -0.63 0.00 0.00 0.00 175.10 175.14 2ww0 s ILE 691 N 0.76 4.23 -0.35 2.22 1.01 0.12 0.04 121.20 129.23 2ww0 s ILE 691 Ca 0.04 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 58.87 2ww0 s ILE 691 Cb -0.13 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2ww0 s ILE 691 CO 0.02 -0.67 0.56 -1.81 0.00 0.00 0.00 174.94 173.03 2ww0 s ASP 692 N 2.47 6.36 -0.49 3.58 -0.00 0.85 -1.97 116.67 127.46 2ww0 s ASP 692 Ca 0.05 0.06 0.08 0.00 -0.00 0.00 0.00 52.55 52.73 2ww0 s ASP 692 Cb -0.25 -2.29 0.33 0.00 -0.00 0.00 0.00 42.92 40.71 2ww0 s ASP 692 CO 0.00 -0.51 0.82 0.00 -0.00 0.00 0.00 175.17 175.48 2ww0 n ALA 693 N 5.83 3.47 0.05 5.23 0.00 0.11 0.26 120.51 135.47 2ww0 n ALA 693 Ca -0.03 -4.14 0.21 0.00 0.00 0.00 0.00 53.44 49.48 2ww0 n ALA 693 Cb 0.49 -0.83 0.72 0.00 0.00 0.00 0.00 19.45 19.84 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 3.17 0.00 -0.70 0.00 0.13 -1.76 -0.48 132.00 132.36 2ww0 h PRO 694 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ww0 h PRO 694 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2ww0 h PRO 694 CO 0.68 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.74 2ww0 n ASN 695 N -3.72 4.37 -4.76 1.44 4.05 -1.26 -4.97 115.26 110.40 2ww0 n ASN 695 Ca 0.09 -2.23 -0.39 0.00 0.45 0.00 0.00 54.58 52.50 2ww0 n ASN 695 Cb 0.70 -0.54 0.01 0.00 1.23 0.00 0.00 39.78 41.19 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 -0.94 5.92 0.38 1.20 3.84 -0.19 -4.72 114.94 120.43 2ww0 s ASN 696 Ca 0.50 2.71 -0.14 0.00 0.21 0.00 0.00 52.86 56.14 2ww0 s ASN 696 Cb 0.29 -2.64 0.05 0.00 -0.55 0.00 0.00 41.25 38.41 2ww0 s ASN 696 CO 0.29 -1.12 0.75 -0.94 -2.79 0.00 0.00 177.10 173.29 2ww0 s SER 697 N -0.81 0.12 0.43 -4.21 1.04 -1.24 -4.90 113.70 104.13 2ww0 s SER 697 Ca 0.62 -1.19 0.15 0.00 0.48 0.00 0.00 55.95 56.02 2ww0 s SER 697 Cb -0.39 0.83 0.94 0.00 0.10 0.00 0.00 66.02 67.50 2ww0 s SER 697 CO 0.49 -1.65 1.94 0.74 0.98 0.00 0.00 173.24 175.74 2ww0 h THR 698 N 2.01 1.13 0.13 2.02 2.02 -1.97 -3.15 112.91 115.10 2ww0 h THR 698 Ca -0.32 -0.86 -0.34 0.00 0.77 0.00 0.00 66.41 65.66 2ww0 h THR 698 Cb 1.25 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2ww0 h THR 698 CO 0.40 0.24 -1.80 -0.33 0.37 0.00 0.00 175.52 174.40 2ww0 h GLU 699 N 0.00 0.29 -3.92 6.66 3.07 -1.96 -3.42 114.58 115.29 2ww0 h GLU 699 Ca -0.00 -0.49 -0.76 0.00 -0.50 0.00 0.00 59.36 57.61 2ww0 h GLU 699 Cb 0.45 0.18 -0.18 0.00 -0.84 0.00 0.00 28.75 28.36 2ww0 h GLU 699 CO 0.03 1.17 1.54 0.09 -1.40 0.00 0.00 179.01 180.44 2ww0 n ASN 700 N -3.48 5.31 -0.67 1.42 5.03 -1.19 -4.31 115.26 117.38 2ww0 n ASN 700 Ca -0.25 -3.09 0.07 0.00 0.87 0.00 0.00 54.58 52.18 2ww0 n ASN 700 Cb 1.06 -1.49 0.13 0.00 -1.02 0.00 0.00 39.78 38.46 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 4.19 0.30 -3.55 3.10 1.16 -0.99 -3.70 117.46 117.98 2ww0 n PHE 701 Ca 0.36 -0.27 -0.36 0.00 -1.87 0.00 0.00 57.45 55.32 2ww0 n PHE 701 Cb 0.39 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 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 -1.06 3.62 -0.33 2.97 2.02 -0.18 -4.70 117.35 119.69 2ww0 s TYR 702 Ca 0.22 0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 57.58 2ww0 s TYR 702 Cb 0.13 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2ww0 s TYR 702 CO 0.18 0.55 0.60 0.42 -1.57 0.00 0.00 175.55 175.73 2ww0 s ILE 703 N -1.31 4.94 -0.13 2.71 1.01 -1.26 -0.02 121.20 127.14 2ww0 s ILE 703 Ca 0.31 0.68 -0.15 0.00 0.00 0.00 0.00 60.65 61.48 2ww0 s ILE 703 Cb -0.15 -4.01 -0.25 0.00 0.01 0.00 0.00 42.46 38.07 2ww0 s ILE 703 CO 0.17 -0.20 0.43 -0.78 0.00 0.00 0.00 174.94 174.56 2ww0 h ASP 704 N 8.32 0.29 -5.19 3.58 3.58 -1.21 -3.41 116.42 122.37 2ww0 h ASP 704 Ca -0.27 -0.80 -0.08 0.00 0.42 0.00 0.00 57.03 56.31 2ww0 h ASP 704 Cb 1.12 -0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.95 2ww0 h ASP 704 CO 0.80 1.63 -0.23 -0.94 -2.88 0.00 0.00 179.24 177.62 2ww0 s SER 705 N -6.97 -0.04 -0.10 2.28 1.04 -1.23 -4.89 113.70 103.79 2ww0 s SER 705 Ca -0.23 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.44 2ww0 s SER 705 Cb 0.05 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2ww0 s SER 705 CO 0.72 -0.89 0.26 -0.32 0.98 0.00 0.00 173.24 173.99 2ww0 s MET 706 N -3.91 0.27 0.03 4.02 1.75 -1.26 -1.49 119.30 118.71 2ww0 s MET 706 Ca 0.12 0.44 0.04 0.00 -1.25 0.00 0.00 55.69 55.04 2ww0 s MET 706 Cb 0.03 0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.71 2ww0 s MET 706 CO -0.04 -0.09 -0.12 -1.54 -0.65 0.00 0.00 175.02 172.58 2ww0 s SER 707 N 0.62 1.38 -0.32 1.11 1.04 -0.48 0.47 113.70 117.53 2ww0 s SER 707 Ca -0.04 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2ww0 s SER 707 Cb -0.05 -0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.06 2ww0 s SER 707 CO -0.04 0.03 0.01 0.12 0.98 0.00 0.00 173.24 174.34 2ww0 s PHE 708 N -0.72 3.51 -1.44 5.02 2.19 0.13 -0.38 117.98 126.29 2ww0 s PHE 708 Ca 0.01 -2.55 -0.10 0.00 0.33 0.00 0.00 56.93 54.62 2ww0 s PHE 708 Cb -0.07 -2.53 0.05 0.00 -1.31 0.00 0.00 43.02 39.16 2ww0 s PHE 708 CO 0.01 -0.91 1.00 0.09 1.83 0.00 0.00 175.22 177.24 2ww0 n ASN 709 N 4.41 -4.56 0.00 6.13 5.03 0.41 -2.16 115.26 124.52 2ww0 n ASN 709 Ca -0.05 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.69 2ww0 n ASN 709 Cb 0.42 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 2ww0 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 710 N -1.73 2.87 3.77 7.41 0.00 -1.26 -5.01 105.19 111.24 2ww0 n GLY 710 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.65 3.20 0.25 4.61 0.00 -0.92 -5.00 121.76 122.26 2ww0 s ALA 711 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 2ww0 s ALA 711 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2ww0 s ALA 711 CO 0.00 -0.29 1.13 0.34 0.00 0.00 0.00 175.76 176.95 2ww0 s ASP 712 N -1.24 7.20 -0.37 0.00 2.15 -1.26 0.18 116.67 123.33 2ww0 s ASP 712 Ca 0.54 2.27 0.01 0.00 0.43 0.00 0.00 52.55 55.80 2ww0 s ASP 712 Cb -0.27 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.84 2ww0 s ASP 712 CO 0.35 -0.22 0.14 -2.28 -0.17 0.00 0.00 175.17 172.99 2ww0 s HIS 713 N -0.85 2.24 -1.54 -5.34 5.65 0.18 -4.79 115.29 110.83 2ww0 s HIS 713 Ca 0.47 -2.25 0.24 0.00 0.25 0.00 0.00 55.06 53.76 2ww0 s HIS 713 Cb -0.32 -2.04 0.27 0.00 -1.18 0.00 0.00 32.58 29.31 2ww0 s HIS 713 CO 0.40 -0.85 1.26 0.25 -0.65 0.00 0.00 174.74 175.14 2ww0 n THR 714 N 4.25 0.00 -1.70 0.89 -2.24 -1.26 -4.17 114.28 110.04 2ww0 n THR 714 Ca 0.03 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2ww0 n THR 714 Cb 0.39 0.76 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -2.69 2.56 -0.18 -0.78 3.01 -1.26 -3.62 119.74 116.78 2ww0 s LYS 715 Ca 0.17 1.71 0.09 0.00 -1.01 0.00 0.00 55.97 56.93 2ww0 s LYS 715 Cb 0.18 -1.89 0.55 0.00 -1.01 0.00 0.00 37.83 35.66 2ww0 s LYS 715 CO 0.64 -1.50 1.39 0.09 0.51 0.00 0.00 175.35 176.48 2ww0 n ASN 716 N -2.26 4.18 -3.57 2.83 5.03 -0.29 -4.93 115.26 116.26 2ww0 n ASN 716 Ca 0.13 -2.69 -0.11 0.00 0.87 0.00 0.00 54.58 52.78 2ww0 n ASN 716 Cb 0.50 -0.64 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 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 -2.22 -0.30 0.20 3.10 1.13 -1.26 -0.22 117.35 117.79 2ww0 s TYR 717 Ca 0.38 0.01 0.10 0.00 -1.41 0.00 0.00 57.07 56.15 2ww0 s TYR 717 Cb 0.29 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 2ww0 s TYR 717 CO 0.11 -0.74 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.73 2ww0 s LEU 718 N -2.78 2.69 -0.09 -3.49 1.43 -0.28 -4.94 118.68 111.22 2ww0 s LEU 718 Ca 0.02 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2ww0 s LEU 718 Cb 0.01 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 2ww0 s LEU 718 CO -0.12 0.10 -0.05 -0.13 0.23 0.00 0.00 176.35 176.38 2ww0 s ARG 719 N -2.85 3.02 0.19 1.70 0.52 -1.26 -1.07 118.95 119.21 2ww0 s ARG 719 Ca 0.24 -0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 2ww0 s ARG 719 Cb -0.08 -2.70 0.14 0.00 0.52 0.00 0.00 34.95 32.83 2ww0 s ARG 719 CO 0.13 0.56 1.59 1.25 0.02 0.00 0.00 175.30 178.84 2ww0 h HIS 720 N 5.62 -0.89 -0.99 -0.53 -0.00 -0.78 -0.07 115.15 117.52 2ww0 h HIS 720 Ca -0.44 0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.07 2ww0 h HIS 720 Cb 1.18 0.48 -0.07 0.00 -0.00 0.00 0.00 27.41 29.00 2ww0 h HIS 720 CO 0.57 -0.38 0.64 0.93 -0.00 0.00 0.00 177.93 179.69 2ww0 h GLU 721 N -0.15 1.09 -0.29 5.26 3.07 -1.96 -1.47 114.58 120.13 2ww0 h GLU 721 Ca 0.24 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2ww0 h GLU 721 Cb 0.55 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2ww0 h GLU 721 CO -0.69 0.72 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.15 2ww0 h ASP 722 N 1.12 0.56 -0.13 1.42 3.32 -1.46 -2.87 116.42 118.38 2ww0 h ASP 722 Ca 0.43 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2ww0 h ASP 722 Cb 0.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2ww0 h ASP 722 CO -0.18 0.78 0.08 -0.07 -1.72 0.00 0.00 179.24 178.13 2ww0 h LEU 723 N 0.32 0.16 -2.21 1.55 3.38 -0.69 -2.49 115.31 115.32 2ww0 h LEU 723 Ca 0.08 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2ww0 h LEU 723 Cb 0.53 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2ww0 h LEU 723 CO 0.03 0.16 0.20 -0.26 0.09 0.00 0.00 178.44 178.66 2ww0 h PHE 724 N 0.14 0.00 0.00 1.13 -1.00 -1.24 0.23 116.94 116.20 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 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2ww0 h PHE 724 CO -0.05 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.52 2ww0 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.21 -3.44 116.57 115.00 2ww0 h LYS 725 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ww0 h LYS 725 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 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 -0.07 -1.43 0.00 3.86 0.00 0.82 -4.87 105.19 103.50 2ww0 n GLY 726 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.26 3.17 -0.02 0.00 -0.14 -4.91 105.19 103.54 2ww0 n GLY 727 Ca 0.00 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 1.42 -0.13 2.61 2.01 -1.26 -1.10 115.64 119.18 2ww0 s THR 728 Ca 0.00 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2ww0 s THR 728 Cb 0.00 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2ww0 s THR 728 CO 0.00 0.40 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 2ww0 s ILE 729 N -0.35 2.94 -0.15 1.82 1.01 0.11 -0.45 121.20 126.14 2ww0 s ILE 729 Ca 0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 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 0.52 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 2ww0 s LYS 730 N 0.45 3.59 -0.19 2.79 2.20 0.49 -0.10 119.74 128.97 2ww0 s LYS 730 Ca -0.10 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2ww0 s LYS 730 Cb -0.16 -2.87 0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2ww0 s LYS 730 CO 0.05 0.27 -0.11 0.08 -0.36 0.00 0.00 175.35 175.28 2ww0 s VAL 731 N 0.27 1.59 -0.60 4.02 1.01 0.14 -1.38 120.40 125.46 2ww0 s VAL 731 Ca -0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2ww0 s VAL 731 Cb -0.14 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.64 2ww0 s VAL 731 CO 0.03 0.22 0.97 -0.62 0.00 0.00 0.00 175.10 175.70 2ww0 s ASP 732 N 1.43 6.27 0.37 3.32 3.68 -0.55 -4.26 116.67 126.93 2ww0 s ASP 732 Ca -0.00 -0.56 -0.22 0.00 2.13 0.00 0.00 52.55 53.90 2ww0 s ASP 732 Cb -0.16 -2.44 -0.10 0.00 -1.45 0.00 0.00 42.92 38.77 2ww0 s ASP 732 CO -0.09 -1.34 0.90 -0.04 0.13 0.00 0.00 175.17 174.74 2ww0 s MET 733 N 4.11 4.31 0.12 4.34 -1.94 -1.26 -0.68 119.30 128.30 2ww0 s MET 733 Ca 0.28 1.10 -0.03 0.00 -1.71 0.00 0.00 55.69 55.33 2ww0 s MET 733 Cb -0.14 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 2ww0 s MET 733 CO 0.16 0.12 0.10 0.45 -0.01 0.00 0.00 175.02 175.84 2ww0 s SER 734 N -1.99 0.26 0.00 3.03 0.15 0.98 -4.81 113.70 111.32 2ww0 s SER 734 Ca 0.56 -1.07 0.25 0.00 0.70 0.00 0.00 55.95 56.38 2ww0 s SER 734 Cb -0.13 0.32 0.34 0.00 -1.71 0.00 0.00 66.02 64.84 2ww0 s SER 734 CO 0.17 -0.75 1.34 -0.46 1.20 0.00 0.00 173.24 174.74 2ww0 n ASN 735 N -0.09 2.53 -4.29 5.45 6.94 -1.26 -1.01 115.26 123.53 2ww0 n ASN 735 Ca -0.08 -1.81 -0.30 0.00 -0.02 0.00 0.00 54.58 52.38 2ww0 n ASN 735 Cb 0.63 0.07 -0.16 0.00 -2.36 0.00 0.00 39.78 37.96 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 -2.08 1.99 0.50 -3.83 0.52 -1.26 -4.92 118.95 109.87 2ww0 s ARG 736 Ca 0.28 -0.89 -0.21 0.00 -0.52 0.00 0.00 55.73 54.39 2ww0 s ARG 736 Cb 0.20 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.67 2ww0 s ARG 736 CO 0.35 0.53 1.16 -1.25 0.02 0.00 0.00 175.30 176.11 2ww0 s PRO 737 N -0.61 3.52 -0.43 3.54 0.04 -1.26 -4.83 135.00 134.97 2ww0 s PRO 737 Ca 0.10 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2ww0 s PRO 737 Cb -0.09 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.31 2ww0 s PRO 737 CO -0.01 -0.74 0.29 1.21 0.04 0.00 0.00 177.00 177.80 2ww0 s ASN 738 N -1.52 5.80 0.00 6.66 3.84 -1.26 -4.95 114.94 123.50 2ww0 s ASN 738 Ca 0.68 -1.40 0.18 0.00 0.21 0.00 0.00 52.86 52.53 2ww0 s ASN 738 Cb -0.27 -2.05 0.93 0.00 -0.55 0.00 0.00 41.25 39.31 2ww0 s ASN 738 CO 0.32 -0.55 1.51 0.18 -2.79 0.00 0.00 177.10 175.77 2ww0 n LEU 739 N 5.01 0.00 -0.00 3.21 4.32 -1.26 -3.27 117.00 125.01 2ww0 n LEU 739 Ca -0.11 0.22 0.06 0.00 -0.02 0.00 0.00 56.01 56.16 2ww0 n LEU 739 Cb 0.43 -0.22 -0.08 0.00 -1.62 0.00 0.00 43.42 41.93 2ww0 n LEU 739 CO 0.41 -0.09 -0.49 0.59 -1.22 0.00 0.00 177.39 176.59 2ww0 n ASN 740 N -1.22 1.92 -4.74 -1.43 3.02 -1.26 -4.91 115.26 106.65 2ww0 n ASN 740 Ca 0.10 -0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 2ww0 n ASN 740 Cb 0.12 1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 40.65 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 -2.63 4.56 -0.70 3.52 3.52 -1.20 -3.98 118.95 122.04 2ww0 s ARG 741 Ca -0.02 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 2ww0 s ARG 741 Cb 0.08 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2ww0 s ARG 741 CO 0.48 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 2ww0 n GLY 742 N 2.40 0.42 0.01 8.12 0.00 -1.24 -4.74 105.19 110.16 2ww0 n GLY 742 Ca -0.00 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.52 0.00 -1.87 2.61 -2.24 -1.26 -4.57 114.28 103.44 2ww0 n THR 743 Ca -0.08 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.91 2ww0 n THR 743 Cb 0.44 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.24 3.43 0.32 -0.78 1.02 -1.26 -4.84 119.74 114.38 2ww0 s LYS 744 Ca -0.06 2.21 0.01 0.00 0.02 0.00 0.00 55.97 58.15 2ww0 s LYS 744 Cb 0.12 -2.42 0.54 0.00 -0.52 0.00 0.00 37.83 35.55 2ww0 s LYS 744 CO 0.75 -0.95 1.92 1.49 -0.92 0.00 0.00 175.35 177.64 2ww0 h GLU 745 N 1.85 0.78 0.00 1.68 4.22 -2.00 -0.01 114.58 121.11 2ww0 h GLU 745 Ca -0.51 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.83 2ww0 h GLU 745 Cb 1.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2ww0 h GLU 745 CO 0.59 0.63 0.00 -0.85 -2.18 0.00 0.00 179.01 177.20 2ww0 n GLU 746 N -4.35 0.38 0.08 1.92 0.00 -1.26 -2.27 120.64 115.14 2ww0 n GLU 746 Ca 0.05 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.40 2ww0 n GLU 746 Cb 0.15 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.37 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 -1.23 0.76 -4.78 -1.84 8.00 -0.02 -4.91 116.55 112.53 2ww0 n ASP 747 Ca 0.11 0.33 -0.36 0.00 0.71 0.00 0.00 54.79 55.58 2ww0 n ASP 747 Cb 0.15 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 -3.13 3.81 1.05 -1.24 -1.94 -0.96 -1.13 119.30 115.74 2ww0 s MET 748 Ca 0.08 1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 55.57 2ww0 s MET 748 Cb 0.13 -2.37 0.22 0.00 2.01 0.00 0.00 34.83 34.82 2ww0 s MET 748 CO 0.66 -0.49 1.18 -2.14 -0.01 0.00 0.00 175.02 174.22 2ww0 s PRO 749 N -2.75 -0.00 0.35 2.03 0.02 -1.26 -4.89 135.00 128.50 2ww0 s PRO 749 Ca 0.64 -0.05 -0.28 0.00 0.02 0.00 0.00 61.00 61.32 2ww0 s PRO 749 Cb -0.26 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 2ww0 s PRO 749 CO 0.31 -2.90 1.49 0.98 -0.33 0.00 0.00 177.00 176.55 2ww0 n TYR 750 N -4.19 2.88 -3.91 6.54 9.36 -1.26 -5.03 117.16 121.54 2ww0 n TYR 750 Ca 0.12 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.62 2ww0 n TYR 750 Cb 0.59 -2.53 -0.15 0.00 -0.63 0.00 0.00 39.34 36.62 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 -0.01 0.15 0.22 2.98 0.01 -1.26 -4.66 113.70 111.12 2ww0 s SER 751 Ca 0.56 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.73 2ww0 s SER 751 Cb -0.49 -0.04 0.31 0.00 0.21 0.00 0.00 66.02 66.01 2ww0 s SER 751 CO 0.60 -0.02 1.80 0.15 0.41 0.00 0.00 173.24 176.18 2ww0 h PHE 752 N 6.38 0.70 -0.60 2.43 3.57 -0.69 -1.77 116.94 126.96 2ww0 h PHE 752 Ca -0.29 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.41 2ww0 h PHE 752 Cb 1.19 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2ww0 h PHE 752 CO 0.43 0.29 0.60 0.77 -2.23 0.00 0.00 178.31 178.17 2ww0 h SER 753 N 0.68 0.00 -3.10 0.41 0.02 -1.92 -3.19 113.55 106.45 2ww0 h SER 753 Ca 0.34 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.50 2ww0 h SER 753 Cb 0.29 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.58 2ww0 h SER 753 CO -0.23 0.00 0.76 0.29 -1.14 0.00 0.00 176.83 176.51 2ww0 n LYS 754 N -3.73 3.59 0.00 3.45 5.02 -0.67 -5.06 118.16 120.75 2ww0 n LYS 754 Ca 0.12 -4.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.12 2ww0 n LYS 754 Cb 0.82 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2ww0 n LYS 754 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27