#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvx s ASP 21 N 0.00 3.24 -0.01 3.14 2.15 -1.26 -4.97 116.67 118.97 2wvx s ASP 21 Ca 0.00 -0.49 0.10 0.00 0.43 0.00 0.00 52.55 52.59 2wvx s ASP 21 Cb 0.00 -1.16 -0.13 0.00 -0.30 0.00 0.00 42.92 41.32 2wvx s ASP 21 CO 0.00 0.21 0.33 0.79 -0.17 0.00 0.00 175.17 176.33 2wvx n TRP 22 N 3.21 0.00 0.27 -5.34 8.01 -1.26 -4.58 117.44 117.75 2wvx n TRP 22 Ca -0.18 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.11 2wvx n TRP 22 Cb 0.52 -0.11 0.72 0.00 -2.01 0.00 0.00 31.31 30.43 2wvx n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2wvx h THR 23 N 0.00 0.82 -0.28 -0.99 1.35 -1.93 -1.76 112.91 110.12 2wvx h THR 23 Ca 0.00 -0.16 0.08 0.00 -0.55 0.00 0.00 66.41 65.78 2wvx h THR 23 Cb 0.35 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2wvx h THR 23 CO 0.00 0.04 0.28 0.06 -0.25 0.00 0.00 175.52 175.66 2wvx h GLN 24 N 0.00 0.00 -0.00 4.72 3.07 -2.02 -1.08 115.11 119.81 2wvx h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2wvx h GLN 24 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2wvx h GLN 24 CO 0.01 0.00 -0.47 0.66 0.09 0.00 0.00 178.83 179.12 2wvx n TYR 25 N -3.86 0.00 -2.77 0.06 4.01 -0.66 -4.88 117.16 109.06 2wvx n TYR 25 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2wvx n TYR 25 Cb 0.43 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2wvx n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wvx s VAL 26 N -2.95 4.82 -0.44 -0.72 1.01 -0.41 -4.21 120.40 117.49 2wvx s VAL 26 Ca 0.12 1.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.91 2wvx s VAL 26 Cb 0.18 -4.24 0.11 0.00 0.00 0.00 0.00 36.38 32.43 2wvx s VAL 26 CO 0.68 -0.00 0.27 0.21 0.00 0.00 0.00 175.10 176.26 2wvx s ASN 27 N 1.13 5.48 0.10 3.32 2.47 -1.26 -4.83 114.94 121.35 2wvx s ASN 27 Ca 0.43 -1.95 0.16 0.00 0.42 0.00 0.00 52.86 51.92 2wvx s ASN 27 Cb -0.17 -1.92 0.69 0.00 -1.45 0.00 0.00 41.25 38.40 2wvx s ASN 27 CO 0.14 -0.61 1.49 -2.65 -3.72 0.00 0.00 177.10 171.75 2wvx n PRO 28 N 4.75 0.07 -2.78 0.43 -0.02 -1.26 -4.90 135.00 131.29 2wvx n PRO 28 Ca -0.05 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 2wvx n PRO 28 Cb 0.41 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 2wvx n PRO 28 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wvx s LEU 29 N -3.56 4.01 0.00 2.45 1.43 -1.26 -3.71 118.68 118.03 2wvx s LEU 29 Ca 0.04 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2wvx s LEU 29 Cb 0.08 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2wvx s LEU 29 CO 0.26 -1.43 0.00 0.61 0.23 0.00 0.00 176.35 176.02 2wvx n GLY 31 N 5.24 0.00 0.15 -3.19 0.00 0.12 -4.39 105.19 103.12 2wvx n GLY 31 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2wvx n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wvx h SER 32 N 0.00 0.00 -3.20 1.61 4.64 -1.56 -0.79 113.55 114.25 2wvx h SER 32 Ca 0.00 -0.02 -0.75 0.00 -0.47 0.00 0.00 61.79 60.56 2wvx h SER 32 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 2wvx h SER 32 CO 0.00 0.01 0.41 -1.58 -0.87 0.00 0.00 176.83 174.79 2wvx s GLN 33 N -3.17 3.59 -0.20 4.77 0.74 -0.83 -1.27 119.66 123.29 2wvx s GLN 33 Ca 0.08 -2.14 -0.26 0.00 0.05 0.00 0.00 55.36 53.10 2wvx s GLN 33 Cb 0.09 -4.63 0.07 0.00 1.10 0.00 0.00 33.01 29.64 2wvx s GLN 33 CO 0.65 -1.50 0.68 0.45 -0.55 0.00 0.00 175.29 175.02 2wvx s SER 34 N 2.82 -0.69 0.25 6.67 0.15 -1.26 -4.24 113.70 117.40 2wvx s SER 34 Ca 0.24 1.18 0.05 0.00 0.70 0.00 0.00 55.95 58.12 2wvx s SER 34 Cb -0.08 1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 65.33 2wvx s SER 34 CO -0.09 -0.34 -0.03 0.42 1.20 0.00 0.00 173.24 174.41 2wvx s THR 35 N -0.09 1.29 0.27 6.45 -4.23 -1.15 -4.93 115.64 113.24 2wvx s THR 35 Ca -0.03 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2wvx s THR 35 Cb -0.04 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.67 2wvx s THR 35 CO 0.03 -0.31 1.83 0.15 -0.54 0.00 0.00 174.62 175.78 2wvx h PHE 36 N 2.39 1.03 0.00 3.99 3.57 -2.02 -2.59 116.94 123.30 2wvx h PHE 36 Ca -0.39 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 2wvx h PHE 36 Cb 1.23 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2wvx h PHE 36 CO 0.62 0.41 -0.23 0.93 -2.23 0.00 0.00 178.31 177.81 2wvx h GLU 37 N 0.92 0.00 -1.50 1.11 3.07 -1.98 -3.42 114.58 112.78 2wvx h GLU 37 Ca 0.46 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.19 2wvx h GLU 37 Cb 0.43 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.08 2wvx h GLU 37 CO -0.26 0.23 -0.49 -1.17 -1.40 0.00 0.00 179.01 175.92 2wvx s LEU 38 N -6.40 -1.03 0.21 1.33 2.96 -0.99 -4.32 118.68 110.45 2wvx s LEU 38 Ca 0.04 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 2wvx s LEU 38 Cb 0.07 1.37 -0.08 0.00 0.50 0.00 0.00 46.19 48.05 2wvx s LEU 38 CO 0.68 -0.34 1.21 -0.55 -1.32 0.00 0.00 176.35 176.04 2wvx s SER 39 N 2.60 7.06 -0.21 3.68 0.15 -1.18 -2.96 113.70 122.85 2wvx s SER 39 Ca 0.10 2.29 0.13 0.00 0.70 0.00 0.00 55.95 59.17 2wvx s SER 39 Cb -0.12 -2.61 0.41 0.00 -1.71 0.00 0.00 66.02 61.99 2wvx s SER 39 CO -0.29 -0.37 1.26 0.35 1.20 0.00 0.00 173.24 175.39 2wvx n THR 40 N 2.22 2.20 0.00 6.45 -2.24 -1.26 -3.44 114.28 118.22 2wvx n THR 40 Ca 0.04 -2.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.95 2wvx n THR 40 Cb 0.44 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2wvx n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wvx n GLY 41 N -1.16 2.16 3.87 3.38 0.00 -0.89 -1.95 105.19 110.60 2wvx n GLY 41 Ca 0.21 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2wvx n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 42 N 0.00 -1.32 -4.88 1.61 3.02 -0.89 -1.49 115.26 111.30 2wvx n ASN 42 Ca 0.00 -0.99 -0.21 0.00 -0.03 0.00 0.00 54.58 53.36 2wvx n ASN 42 Cb 0.00 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.91 2wvx n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wvx s THR 43 N -3.83 2.74 0.20 3.41 -4.23 -0.35 -4.60 115.64 108.98 2wvx s THR 43 Ca 0.09 -1.32 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 2wvx s THR 43 Cb -0.03 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 2wvx s THR 43 CO 0.87 -0.01 -0.08 -0.72 -0.54 0.00 0.00 174.62 174.14 2wvx s TYR 44 N -2.45 1.57 -0.55 3.99 1.13 -1.26 -3.94 117.35 115.84 2wvx s TYR 44 Ca 0.48 -0.73 -0.28 0.00 -1.41 0.00 0.00 57.07 55.13 2wvx s TYR 44 Cb -0.04 -0.82 0.01 0.00 -1.10 0.00 0.00 41.96 40.01 2wvx s TYR 44 CO 0.28 0.17 1.49 -1.25 -2.51 0.00 0.00 175.55 173.72 2wvx s PRO 45 N -3.74 3.23 -0.61 -3.49 0.04 -1.24 -4.93 135.00 124.25 2wvx s PRO 45 Ca 0.23 0.53 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 2wvx s PRO 45 Cb 0.03 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.45 2wvx s PRO 45 CO 0.06 -2.02 1.08 0.00 0.04 0.00 0.00 177.00 176.16 2wvx s ALA 46 N 6.43 3.03 -0.43 8.56 0.00 -1.26 -4.48 121.76 133.61 2wvx s ALA 46 Ca 0.55 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2wvx s ALA 46 Cb -0.12 -3.94 0.02 0.00 0.00 0.00 0.00 23.12 19.08 2wvx s ALA 46 CO 0.25 -2.70 0.73 0.42 0.00 0.00 0.00 175.76 174.46 2wvx s ILE 47 N 4.60 4.73 -0.03 0.00 -1.09 -0.30 -4.77 121.20 124.34 2wvx s ILE 47 Ca 0.33 0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 2wvx s ILE 47 Cb -0.11 -4.25 0.11 0.00 -1.58 0.00 0.00 42.46 36.63 2wvx s ILE 47 CO 0.19 -0.62 1.07 0.00 -1.23 0.00 0.00 174.94 174.35 2wvx s ALA 48 N 3.09 -1.94 0.57 9.38 0.00 -0.74 -1.46 121.76 130.65 2wvx s ALA 48 Ca 0.27 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 2wvx s ALA 48 Cb -0.13 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2wvx s ALA 48 CO 0.20 -0.80 0.95 1.03 0.00 0.00 0.00 175.76 177.14 2wvx s ARG 49 N -2.82 3.61 0.14 0.00 1.81 -1.26 -4.61 118.95 115.83 2wvx s ARG 49 Ca 0.09 0.61 -0.34 0.00 -1.72 0.00 0.00 55.73 54.37 2wvx s ARG 49 Cb 0.00 -2.17 -0.16 0.00 -0.45 0.00 0.00 34.95 32.17 2wvx s ARG 49 CO -0.04 -0.44 1.33 -2.30 -0.68 0.00 0.00 175.30 173.17 2wvx n PRO 50 N -2.50 1.40 -2.12 3.54 -0.02 -1.26 -1.04 135.00 133.01 2wvx n PRO 50 Ca 0.04 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2wvx n PRO 50 Cb 0.54 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 2wvx n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wvx n TRP 51 N 2.26 -1.10 0.00 6.00 8.01 -0.13 -4.96 117.44 127.53 2wvx n TRP 51 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 2wvx n TRP 51 Cb 0.24 -2.72 0.00 0.00 -2.01 0.00 0.00 31.31 26.81 2wvx n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wvx n GLY 52 N -0.64 -2.80 1.24 6.99 0.00 -0.20 -0.78 105.19 108.99 2wvx n GLY 52 Ca -0.14 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 2wvx n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 54 N 0.00 0.30 -4.94 1.61 3.02 -0.99 -4.27 115.26 109.99 2wvx n ASN 54 Ca 0.00 0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 54.67 2wvx n ASN 54 Cb 0.00 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2wvx n ASN 54 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wvx s PHE 55 N 0.73 3.49 0.02 3.10 0.08 -1.02 -4.75 117.98 119.63 2wvx s PHE 55 Ca 0.34 0.18 0.09 0.00 0.12 0.00 0.00 56.93 57.66 2wvx s PHE 55 Cb -0.48 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2wvx s PHE 55 CO 0.25 0.51 -0.26 -1.58 -0.10 0.00 0.00 175.22 174.04 2wvx s TRP 56 N -1.71 2.30 -0.12 0.36 0.52 -0.54 -0.98 118.94 118.77 2wvx s TRP 56 Ca 0.35 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.94 2wvx s TRP 56 Cb -0.11 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.82 2wvx s TRP 56 CO 0.28 0.06 0.32 -0.08 0.02 0.00 0.00 176.95 177.55 2wvx s THR 57 N -0.73 0.00 0.45 2.01 -1.32 -0.21 -1.15 115.64 114.69 2wvx s THR 57 Ca 0.11 -0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.32 2wvx s THR 57 Cb -0.10 -0.45 -0.09 0.00 -1.51 0.00 0.00 72.50 70.35 2wvx s THR 57 CO 0.01 -0.01 1.43 -0.81 -2.21 0.00 0.00 174.62 173.03 2wvx n PRO 58 N 2.86 2.26 -3.96 7.08 -0.04 -1.26 -0.86 135.00 141.07 2wvx n PRO 58 Ca -0.13 0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 63.79 2wvx n PRO 58 Cb 0.58 -2.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.28 2wvx n PRO 58 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2wvx s GLN 59 N -2.41 2.32 -0.09 0.54 0.74 0.16 -4.56 119.66 116.36 2wvx s GLN 59 Ca 0.61 -1.33 0.04 0.00 0.05 0.00 0.00 55.36 54.72 2wvx s GLN 59 Cb -0.45 -3.10 -0.24 0.00 1.10 0.00 0.00 33.01 30.32 2wvx s GLN 59 CO 0.58 -0.63 0.48 0.25 -0.55 0.00 0.00 175.29 175.42 2wvx n THR 60 N 4.54 1.67 -1.86 -0.34 -2.24 0.48 -0.66 114.28 115.88 2wvx n THR 60 Ca -0.13 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.60 2wvx n THR 60 Cb 0.43 -1.34 0.03 0.00 -2.10 0.00 0.00 70.33 67.35 2wvx n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wvx s GLY 61 N -5.38 2.00 0.00 3.38 0.00 0.12 -4.66 107.32 102.78 2wvx s GLY 61 Ca -0.14 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.92 2wvx s GLY 61 CO 0.79 0.66 0.00 0.28 0.00 0.00 0.00 173.10 174.83 2wvx n LYS 62 N -2.41 0.00 0.00 2.90 4.76 -1.26 -4.89 118.16 117.26 2wvx n LYS 62 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2wvx n LYS 62 Cb 0.53 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 2wvx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wvx n GLY 64 N 0.12 0.00 3.73 0.72 0.00 -1.26 -4.87 105.19 103.62 2wvx n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wvx n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wvx s ASP 65 N 0.00 7.01 0.57 1.61 -1.08 -1.26 -4.88 116.67 118.64 2wvx s ASP 65 Ca 0.00 2.20 0.35 0.00 -0.52 0.00 0.00 52.55 54.58 2wvx s ASP 65 Cb 0.00 -2.59 1.57 0.00 -1.46 0.00 0.00 42.92 40.44 2wvx s ASP 65 CO 0.00 -0.48 2.07 1.23 0.52 0.00 0.00 175.17 178.51 2wvx h GLY 66 N 6.06 0.00 -7.22 2.66 0.00 -1.90 -3.19 103.07 99.49 2wvx h GLY 66 Ca -0.43 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.13 2wvx h GLY 66 CO 0.79 0.00 1.21 0.79 0.00 0.00 0.00 176.54 179.33 2wvx n TRP 67 N -3.16 4.05 0.20 5.60 8.01 -1.26 -4.32 117.44 126.55 2wvx n TRP 67 Ca -0.00 -3.21 0.08 0.00 -1.31 0.00 0.00 57.50 53.06 2wvx n TRP 67 Cb 0.26 -1.85 0.29 0.00 -2.01 0.00 0.00 31.31 28.00 2wvx n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2wvx h GLN 68 N 6.36 0.00 -3.52 -0.99 3.07 -1.92 -3.35 115.11 114.75 2wvx h GLN 68 Ca 0.28 0.00 -0.40 0.00 0.09 0.00 0.00 58.65 58.63 2wvx h GLN 68 Cb 0.76 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 27.94 2wvx h GLN 68 CO 1.30 0.29 -0.75 -0.47 0.09 0.00 0.00 178.83 179.29 2wvx s TYR 69 N -3.38 0.34 0.02 0.06 5.04 -1.26 -0.39 117.35 117.79 2wvx s TYR 69 Ca 0.02 0.05 0.08 0.00 -2.44 0.00 0.00 57.07 54.79 2wvx s TYR 69 Cb 0.09 -0.61 -0.02 0.00 0.35 0.00 0.00 41.96 41.77 2wvx s TYR 69 CO 0.67 -0.24 -0.24 0.95 -1.34 0.00 0.00 175.55 175.35 2wvx s THR 70 N 1.95 1.94 0.38 4.34 -4.23 -1.26 -4.76 115.64 114.00 2wvx s THR 70 Ca 0.03 -1.22 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 2wvx s THR 70 Cb -0.12 -1.65 0.19 0.00 1.34 0.00 0.00 72.50 72.25 2wvx s THR 70 CO -0.04 0.38 1.94 0.22 -0.54 0.00 0.00 174.62 176.59 2wvx h TYR 71 N 5.06 0.41 -0.02 3.99 5.03 -1.55 -2.19 116.97 127.70 2wvx h TYR 71 Ca -0.44 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2wvx h TYR 71 Cb 1.14 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.30 2wvx h TYR 71 CO 0.46 0.41 0.00 0.25 -1.32 0.00 0.00 178.16 177.96 2wvx n THR 72 N -4.33 0.02 -2.19 1.81 -2.24 -1.26 -4.87 114.28 101.22 2wvx n THR 72 Ca 0.01 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 2wvx n THR 72 Cb 0.21 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2wvx n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wvx s ALA 73 N -1.98 2.76 -0.23 6.98 0.00 -0.83 -4.96 121.76 123.50 2wvx s ALA 73 Ca 0.40 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.50 2wvx s ALA 73 Cb 0.21 -3.40 -0.27 0.00 0.00 0.00 0.00 23.12 19.66 2wvx s ALA 73 CO 0.33 -0.84 0.62 0.09 0.00 0.00 0.00 175.76 175.96 2wvx n ASN 74 N -1.08 0.25 -4.05 0.00 3.02 -1.26 -4.97 115.26 107.17 2wvx n ASN 74 Ca 0.11 -0.14 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 2wvx n ASN 74 Cb 0.49 1.66 -0.12 0.00 -0.61 0.00 0.00 39.78 41.20 2wvx n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wvx s LYS 75 N -3.41 0.56 -0.14 3.52 1.02 -1.26 -1.75 119.74 118.27 2wvx s LYS 75 Ca -0.04 -0.63 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 2wvx s LYS 75 Cb 0.14 -0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2wvx s LYS 75 CO 0.89 0.09 0.04 0.42 -0.92 0.00 0.00 175.35 175.87 2wvx s ILE 76 N -1.02 4.60 -0.53 2.17 1.01 -0.27 -4.29 121.20 122.87 2wvx s ILE 76 Ca -0.06 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2wvx s ILE 76 Cb -0.08 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.41 2wvx s ILE 76 CO 0.00 0.53 0.66 -2.11 0.00 0.00 0.00 174.94 174.02 2wvx n ARG 77 N 2.95 -0.23 -3.58 2.79 1.85 0.17 -1.13 116.66 119.49 2wvx n ARG 77 Ca -0.18 -0.81 0.02 0.00 -1.00 0.00 0.00 57.85 55.89 2wvx n ARG 77 Cb 0.53 -1.08 -0.00 0.00 -1.05 0.00 0.00 32.46 30.85 2wvx n ARG 77 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2wvx s GLY 78 N -0.39 -0.44 -0.19 2.89 0.00 -1.20 -4.81 107.32 103.17 2wvx s GLY 78 Ca 0.05 1.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.86 2wvx s GLY 78 CO 0.05 0.25 -0.16 -1.36 0.00 0.00 0.00 173.10 171.88 2wvx s PHE 79 N -2.08 2.82 -0.05 1.90 0.40 0.11 -0.67 117.98 120.42 2wvx s PHE 79 Ca 0.14 -1.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.09 2wvx s PHE 79 Cb 0.06 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 2wvx s PHE 79 CO -0.06 -0.72 -0.19 0.21 0.70 0.00 0.00 175.22 175.16 2wvx s LYS 80 N 1.31 2.00 -0.03 0.44 2.20 -0.04 -0.82 119.74 124.80 2wvx s LYS 80 Ca 0.05 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.68 2wvx s LYS 80 Cb -0.13 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.44 2wvx s LYS 80 CO -0.10 0.27 0.97 -1.14 -0.36 0.00 0.00 175.35 174.99 2wvx s GLN 81 N 0.01 4.52 0.06 4.03 0.74 -0.28 -1.04 119.66 127.70 2wvx s GLN 81 Ca -0.04 1.38 0.01 0.00 0.05 0.00 0.00 55.36 56.75 2wvx s GLN 81 Cb -0.12 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 2wvx s GLN 81 CO 0.03 -0.11 -0.05 -0.08 -0.55 0.00 0.00 175.29 174.52 2wvx s THR 82 N 1.26 0.44 -0.01 -0.34 -1.32 -0.16 -3.38 115.64 112.14 2wvx s THR 82 Ca 0.50 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 2wvx s THR 82 Cb -0.20 -1.18 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 2wvx s THR 82 CO 0.25 -0.74 0.81 1.41 -2.21 0.00 0.00 174.62 174.14 2wvx n HIS 83 N 0.59 0.00 -2.11 9.09 8.25 -1.25 -2.44 115.22 127.35 2wvx n HIS 83 Ca -0.17 -0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 56.56 2wvx n HIS 83 Cb 0.59 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2wvx n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wvx s GLN 84 N -0.67 4.28 0.11 -0.41 0.74 -1.26 -4.87 119.66 117.57 2wvx s GLN 84 Ca 0.02 2.13 0.17 0.00 0.05 0.00 0.00 55.36 57.74 2wvx s GLN 84 Cb 0.02 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.71 2wvx s GLN 84 CO 0.00 -0.52 0.92 -1.00 -0.55 0.00 0.00 175.29 174.14 2wvx h PRO 85 N 7.16 0.00 -2.99 1.67 0.13 -1.90 -3.49 132.00 132.58 2wvx h PRO 85 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2wvx h PRO 85 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2wvx h PRO 85 CO 0.89 0.27 0.22 -1.54 -0.23 0.00 0.00 178.00 177.61 2wvx s SER 86 N -5.80 -0.50 0.41 1.44 1.04 -1.26 -4.58 113.70 104.45 2wvx s SER 86 Ca -0.02 -0.13 0.18 0.00 0.48 0.00 0.00 55.95 56.46 2wvx s SER 86 Cb 0.09 0.62 0.91 0.00 0.10 0.00 0.00 66.02 67.74 2wvx s SER 86 CO 0.80 -1.04 1.87 1.55 0.98 0.00 0.00 173.24 177.40 2wvx h PRO 87 N 2.00 0.00 -0.18 4.02 0.13 -1.81 -1.12 132.00 135.04 2wvx h PRO 87 Ca -0.31 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 2wvx h PRO 87 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wvx h PRO 87 CO 0.35 0.30 -0.22 -1.49 -0.23 0.00 0.00 178.00 176.70 2wvx h TRP 88 N 0.00 0.57 -0.06 1.56 4.06 -1.96 -3.27 115.95 116.86 2wvx h TRP 88 Ca -0.00 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.61 2wvx h TRP 88 Cb 0.62 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 2wvx h TRP 88 CO 0.00 0.86 -0.66 0.82 -3.56 0.00 0.00 178.44 175.90 2wvx h ILE 89 N 0.12 1.41 -0.73 1.49 1.08 -1.95 -3.50 117.51 115.43 2wvx h ILE 89 Ca 0.02 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.38 2wvx h ILE 89 Cb 0.78 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 2wvx h ILE 89 CO 0.05 0.62 0.00 -3.20 -0.69 0.00 0.00 178.15 174.94 2wvx n ASN 90 N -3.83 -2.19 -4.38 1.72 2.85 -0.43 -4.82 115.26 104.19 2wvx n ASN 90 Ca -0.03 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.25 2wvx n ASN 90 Cb 0.66 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.58 2wvx n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wvx s ASP 91 N -4.00 2.63 0.16 1.20 -1.08 -1.26 -4.26 116.67 110.06 2wvx s ASP 91 Ca 0.00 -1.10 -0.18 0.00 -0.52 0.00 0.00 52.55 50.75 2wvx s ASP 91 Cb 0.00 -0.14 0.04 0.00 -1.46 0.00 0.00 42.92 41.35 2wvx s ASP 91 CO 0.00 -0.25 0.49 -0.72 0.52 0.00 0.00 175.17 175.20 2wvx s TYR 92 N -3.00 -0.24 -1.10 -5.34 1.13 -1.26 -2.27 117.35 105.27 2wvx s TYR 92 Ca 0.26 -0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 55.82 2wvx s TYR 92 Cb 0.01 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.21 2wvx s TYR 92 CO 0.09 -0.81 0.94 0.41 -2.51 0.00 0.00 175.55 173.66 2wvx n GLY 93 N -0.30 -0.70 3.04 5.49 0.00 -1.23 -3.93 105.19 107.55 2wvx n GLY 93 Ca -0.14 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2wvx n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvx s GLN 94 N -4.87 1.75 0.24 1.61 -2.07 -1.26 -4.46 119.66 110.60 2wvx s GLN 94 Ca 0.21 -0.44 -0.14 0.00 -1.82 0.00 0.00 55.36 53.16 2wvx s GLN 94 Cb -0.03 -1.44 0.00 0.00 -1.09 0.00 0.00 33.01 30.45 2wvx s GLN 94 CO 0.72 0.05 0.50 -0.59 -1.32 0.00 0.00 175.29 174.65 2wvx s PHE 95 N 0.59 0.25 0.09 9.60 -0.71 -1.22 -4.58 117.98 122.01 2wvx s PHE 95 Ca -0.14 -0.63 -0.03 0.00 -1.04 0.00 0.00 56.93 55.10 2wvx s PHE 95 Cb -0.15 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2wvx s PHE 95 CO 0.04 -1.01 0.05 -1.54 -1.34 0.00 0.00 175.22 171.43 2wvx s SER 96 N -2.99 0.34 0.24 1.98 1.04 -0.47 -1.12 113.70 112.72 2wvx s SER 96 Ca 0.20 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2wvx s SER 96 Cb -0.01 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2wvx s SER 96 CO 0.07 -0.68 0.08 0.00 0.98 0.00 0.00 173.24 173.69 2wvx n ILE 97 N -0.00 0.00 -4.21 -1.02 3.06 0.00 -1.23 119.36 115.96 2wvx n ILE 97 Ca -0.11 -1.38 -0.16 0.00 -2.50 0.00 0.00 62.75 58.59 2wvx n ILE 97 Cb 0.62 0.48 -0.14 0.00 0.54 0.00 0.00 39.64 41.15 2wvx n ILE 97 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 2wvx s PRO 99 N -2.91 0.59 0.24 9.51 0.04 -1.26 0.07 135.00 141.27 2wvx s PRO 99 Ca 0.11 -0.43 -0.10 0.00 0.04 0.00 0.00 61.00 60.63 2wvx s PRO 99 Cb 0.01 -0.52 -0.01 0.00 0.04 0.00 0.00 34.50 34.01 2wvx s PRO 99 CO 0.08 0.13 0.41 0.96 0.04 0.00 0.00 177.00 178.62 2wvx s ILE 100 N -0.54 0.00 0.12 0.56 -4.36 -0.21 -4.96 121.20 111.82 2wvx s ILE 100 Ca -0.01 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2wvx s ILE 100 Cb -0.05 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 2wvx s ILE 100 CO 0.00 0.00 0.04 0.68 0.24 0.00 0.00 174.94 175.90 2wvx s VAL 101 N -3.97 0.14 0.00 8.37 -7.23 -1.26 -0.97 120.40 115.48 2wvx s VAL 101 Ca 0.26 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2wvx s VAL 101 Cb 0.01 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.98 2wvx s VAL 101 CO 0.10 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 2wvx n GLY 102 N -0.07 0.96 3.85 2.32 0.00 -0.54 -4.94 105.19 106.77 2wvx n GLY 102 Ca -0.07 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 2wvx n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 103 N 0.00 3.23 -0.52 1.61 -0.21 -1.26 -4.84 119.66 117.66 2wvx s GLN 103 Ca 0.00 -0.47 -0.28 0.00 0.02 0.00 0.00 55.36 54.63 2wvx s GLN 103 Cb 0.00 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 31.08 2wvx s GLN 103 CO 0.00 0.63 1.41 -1.25 -2.12 0.00 0.00 175.29 173.96 2wvx s PRO 104 N -2.13 3.37 -0.05 2.91 0.04 -1.26 -4.97 135.00 132.91 2wvx s PRO 104 Ca 0.29 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2wvx s PRO 104 Cb -0.12 -4.10 -0.00 0.00 0.04 0.00 0.00 34.50 30.31 2wvx s PRO 104 CO 0.21 -1.84 -0.20 0.14 0.04 0.00 0.00 177.00 175.34 2wvx s VAL 105 N 5.90 1.64 -0.15 -0.36 -7.23 -1.26 -5.02 120.40 113.93 2wvx s VAL 105 Ca 0.55 -0.83 0.09 0.00 -1.81 0.00 0.00 61.98 59.97 2wvx s VAL 105 Cb -0.11 -1.41 -0.23 0.00 0.56 0.00 0.00 36.38 35.19 2wvx s VAL 105 CO 0.27 0.47 0.26 0.33 -0.31 0.00 0.00 175.10 176.12 2wvx n PHE 106 N 3.13 0.55 -1.65 2.82 7.35 -1.26 -4.65 117.46 123.75 2wvx n PHE 106 Ca -0.18 0.16 -0.54 0.00 -0.76 0.00 0.00 57.45 56.13 2wvx n PHE 106 Cb 0.53 -1.09 -0.06 0.00 0.35 0.00 0.00 39.48 39.20 2wvx n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wvx n ASP 107 N -3.07 2.11 0.27 -2.13 -0.08 -1.26 -4.77 116.55 107.62 2wvx n ASP 107 Ca -0.30 1.09 0.18 0.00 -1.51 0.00 0.00 54.79 54.25 2wvx n ASP 107 Cb 1.07 -1.19 0.86 0.00 2.34 0.00 0.00 41.12 44.20 2wvx n ASP 107 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2wvx h GLU 108 N 5.98 0.00 0.04 -0.67 4.11 -1.93 0.13 114.58 122.24 2wvx h GLU 108 Ca -0.47 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.80 2wvx h GLU 108 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2wvx h GLU 108 CO 0.87 0.00 -0.82 0.93 0.07 0.00 0.00 179.01 180.05 2wvx h GLU 109 N 0.00 0.09 -0.64 1.06 5.08 -1.95 -3.27 114.58 114.95 2wvx h GLU 109 Ca 0.00 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2wvx h GLU 109 Cb 0.22 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2wvx h GLU 109 CO 0.00 1.08 0.42 0.87 -1.00 0.00 0.00 179.01 180.38 2wvx h LYS 110 N -0.75 0.80 0.00 2.33 1.57 -1.68 -2.32 116.57 116.52 2wvx h LYS 110 Ca -0.20 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2wvx h LYS 110 Cb 1.36 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wvx h LYS 110 CO -0.03 0.53 -0.24 2.89 -0.57 0.00 0.00 179.45 182.03 2wvx n ARG 111 N -4.45 0.13 -1.38 3.15 1.85 -0.06 -4.94 116.66 110.97 2wvx n ARG 111 Ca 0.07 0.08 -0.32 0.00 -1.00 0.00 0.00 57.85 56.68 2wvx n ARG 111 Cb 0.08 -1.62 0.08 0.00 -1.05 0.00 0.00 32.46 29.95 2wvx n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wvx s ALA 112 N -3.06 2.24 -0.03 2.89 0.00 -0.88 -4.94 121.76 117.99 2wvx s ALA 112 Ca 0.11 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2wvx s ALA 112 Cb 0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2wvx s ALA 112 CO 0.62 -1.71 -0.07 0.45 0.00 0.00 0.00 175.76 175.05 2wvx s SER 113 N -2.98 1.04 0.70 0.00 0.15 -0.29 -4.93 113.70 107.38 2wvx s SER 113 Ca 0.64 -0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.97 2wvx s SER 113 Cb -0.19 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 2wvx s SER 113 CO 0.51 0.04 0.71 0.79 1.20 0.00 0.00 173.24 176.48 2wvx n TRP 114 N 3.42 -0.17 -3.94 3.44 7.02 -1.26 -1.12 117.44 124.83 2wvx n TRP 114 Ca -0.19 0.38 -0.09 0.00 -1.02 0.00 0.00 57.50 56.58 2wvx n TRP 114 Cb 0.54 -1.99 -0.03 0.00 -2.42 0.00 0.00 31.31 27.40 2wvx n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2wvx s PHE 115 N -1.83 0.20 0.05 -5.99 -0.71 -0.72 -1.78 117.98 107.20 2wvx s PHE 115 Ca 0.69 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 56.02 2wvx s PHE 115 Cb -0.36 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 41.82 2wvx s PHE 115 CO 0.54 -1.13 -0.13 0.00 -1.34 0.00 0.00 175.22 173.16 2wvx s ALA 116 N -3.79 1.07 0.58 1.99 0.00 -1.26 -4.78 121.76 115.57 2wvx s ALA 116 Ca 0.18 -0.86 0.30 0.00 0.00 0.00 0.00 51.96 51.59 2wvx s ALA 116 Cb -0.03 -0.12 1.83 0.00 0.00 0.00 0.00 23.12 24.80 2wvx s ALA 116 CO 0.09 0.17 2.25 0.45 0.00 0.00 0.00 175.76 178.72 2wvx h HIS 117 N 4.69 0.00 0.00 0.00 3.86 -1.94 0.16 115.15 121.92 2wvx h HIS 117 Ca -0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2wvx h HIS 117 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2wvx h HIS 117 CO 0.58 0.01 0.00 1.63 0.86 0.00 0.00 177.93 181.01 2wvx n LYS 118 N -3.80 0.23 -0.43 2.45 5.02 -1.26 -1.78 118.16 118.58 2wvx n LYS 118 Ca -0.03 0.09 0.08 0.00 -2.02 0.00 0.00 58.31 56.43 2wvx n LYS 118 Cb 0.09 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.86 2wvx n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 119 N 0.68 3.55 3.07 0.72 0.00 0.56 -5.00 105.19 108.78 2wvx n GLY 119 Ca 0.09 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2wvx n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvx s GLU 120 N -2.32 0.95 -0.17 1.61 2.12 -0.74 -1.65 118.70 118.51 2wvx s GLU 120 Ca 0.40 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2wvx s GLU 120 Cb 0.30 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.80 2wvx s GLU 120 CO 0.12 0.25 -0.11 0.08 -0.54 0.00 0.00 175.26 175.07 2wvx s VAL 121 N -0.27 1.51 -0.22 3.70 1.01 0.72 -4.95 120.40 121.89 2wvx s VAL 121 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2wvx s VAL 121 Cb -0.05 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2wvx s VAL 121 CO -0.00 0.27 -0.14 0.00 0.00 0.00 0.00 175.10 175.23 2wvx s ALA 122 N 1.48 2.50 0.23 5.51 0.00 -1.26 -0.89 121.76 129.33 2wvx s ALA 122 Ca 0.01 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.59 2wvx s ALA 122 Cb -0.15 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2wvx s ALA 122 CO -0.09 -0.70 -0.03 0.95 0.00 0.00 0.00 175.76 175.89 2wvx s THR 123 N 1.25 1.18 0.47 0.00 -4.23 -0.19 -4.49 115.64 109.64 2wvx s THR 123 Ca -0.00 -2.06 0.38 0.00 -1.18 0.00 0.00 61.69 58.83 2wvx s THR 123 Cb -0.16 -2.32 0.40 0.00 1.34 0.00 0.00 72.50 71.76 2wvx s THR 123 CO -0.08 -0.36 2.21 -0.65 -0.54 0.00 0.00 174.62 175.19 2wvx h PRO 124 N 2.46 0.00 -0.02 3.99 0.11 -1.88 -3.13 132.00 133.54 2wvx h PRO 124 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wvx h PRO 124 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wvx h PRO 124 CO 0.65 0.02 0.00 2.48 -0.21 0.00 0.00 178.00 180.94 2wvx n TYR 125 N -3.24 0.01 -3.64 0.65 4.11 -1.26 -1.80 117.16 111.99 2wvx n TYR 125 Ca -0.02 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.90 57.78 2wvx n TYR 125 Cb 0.16 -0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.43 2wvx n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2wvx s TYR 126 N -0.69 -0.77 -0.02 -3.48 5.04 -1.18 -4.27 117.35 111.98 2wvx s TYR 126 Ca 0.10 1.68 0.03 0.00 -2.44 0.00 0.00 57.07 56.44 2wvx s TYR 126 Cb 0.07 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.79 2wvx s TYR 126 CO 0.10 -0.38 -0.12 -0.47 -1.34 0.00 0.00 175.55 173.35 2wvx s TYR 127 N 0.91 1.10 0.01 4.97 5.04 -1.26 -1.02 117.35 127.11 2wvx s TYR 127 Ca -0.04 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 2wvx s TYR 127 Cb -0.05 -0.74 -0.01 0.00 0.35 0.00 0.00 41.96 41.51 2wvx s TYR 127 CO -0.10 -0.06 -0.05 0.21 -1.34 0.00 0.00 175.55 174.21 2wvx s LYS 128 N -0.07 0.35 -0.04 4.97 2.20 -0.07 -4.18 119.74 122.90 2wvx s LYS 128 Ca 0.01 -0.39 -0.24 0.00 -0.36 0.00 0.00 55.97 55.00 2wvx s LYS 128 Cb -0.07 -0.21 0.05 0.00 -1.51 0.00 0.00 37.83 36.09 2wvx s LYS 128 CO 0.00 0.04 0.51 0.54 -0.36 0.00 0.00 175.35 176.09 2wvx s VAL 129 N -0.69 0.03 -0.23 4.02 0.11 -0.62 -0.20 120.40 122.81 2wvx s VAL 129 Ca -0.05 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 2wvx s VAL 129 Cb -0.05 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2wvx s VAL 129 CO -0.00 -0.11 0.29 -0.47 -3.33 0.00 0.00 175.10 171.48 2wvx s TYR 130 N -1.20 3.33 -0.58 1.54 5.04 -0.66 -1.52 117.35 123.30 2wvx s TYR 130 Ca -0.12 0.41 -0.19 0.00 -2.44 0.00 0.00 57.07 54.74 2wvx s TYR 130 Cb -0.02 -2.42 0.10 0.00 0.35 0.00 0.00 41.96 39.96 2wvx s TYR 130 CO 0.07 -0.02 0.68 -0.51 -1.34 0.00 0.00 175.55 174.43 2wvx s LEU 131 N 1.34 5.39 0.41 6.97 1.43 0.22 -4.62 118.68 129.83 2wvx s LEU 131 Ca 0.13 -1.39 0.12 0.00 -1.03 0.00 0.00 54.13 51.96 2wvx s LEU 131 Cb -0.14 -2.31 0.95 0.00 0.03 0.00 0.00 46.19 44.72 2wvx s LEU 131 CO 0.07 -1.06 1.98 0.00 0.23 0.00 0.00 176.35 177.56 2wvx h ALA 132 N 9.14 1.92 0.00 4.21 0.00 -1.64 -0.94 119.26 131.95 2wvx h ALA 132 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wvx h ALA 132 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wvx h ALA 132 CO 1.08 -0.05 -0.17 0.93 0.00 0.00 0.00 179.25 181.04 2wvx h GLU 133 N 0.50 0.00 -0.00 0.00 5.08 -1.91 -3.31 114.58 114.94 2wvx h GLU 133 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2wvx h GLU 133 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wvx h GLU 133 CO -0.08 0.00 -0.15 0.72 -1.00 0.00 0.00 179.01 178.50 2wvx n HIS 134 N -2.34 0.00 -3.58 4.33 8.25 -1.00 -4.94 115.22 115.93 2wvx n HIS 134 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 2wvx n HIS 134 Cb 0.45 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.62 2wvx n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wvx n ASP 135 N -0.73 -2.02 -4.07 0.41 2.03 -0.39 -4.69 116.55 107.09 2wvx n ASP 135 Ca 0.01 -0.71 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 2wvx n ASP 135 Cb 0.08 -4.59 -0.15 0.00 -0.72 0.00 0.00 41.12 35.74 2wvx n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wvx s ILE 136 N -3.49 1.00 -0.16 5.18 1.01 -1.18 -3.49 121.20 120.07 2wvx s ILE 136 Ca 0.07 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 2wvx s ILE 136 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2wvx s ILE 136 CO 0.77 0.29 0.13 -0.69 0.00 0.00 0.00 174.94 175.44 2wvx s VAL 137 N -0.16 5.38 -0.10 2.92 1.01 -0.81 -0.61 120.40 128.04 2wvx s VAL 137 Ca 0.02 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2wvx s VAL 137 Cb -0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2wvx s VAL 137 CO -0.00 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.59 2wvx s THR 138 N -0.32 2.97 0.40 3.92 2.01 -0.58 -0.27 115.64 123.77 2wvx s THR 138 Ca 0.11 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2wvx s THR 138 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 2wvx s THR 138 CO 0.01 0.55 0.08 -0.62 -0.69 0.00 0.00 174.62 173.95 2wvx n GLU 139 N 3.12 0.72 0.00 4.92 1.02 -0.05 -1.59 120.64 128.77 2wvx n GLU 139 Ca -0.18 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 53.76 2wvx n GLU 139 Cb 0.53 1.39 0.00 0.00 -0.02 0.00 0.00 31.44 33.34 2wvx n GLU 139 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wvx n THR 141 N -0.95 0.00 -2.94 2.62 -2.24 -0.73 -1.27 114.28 108.78 2wvx n THR 141 Ca -0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 2wvx n THR 141 Cb 0.56 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 2wvx n THR 141 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wvx s PRO 142 N 0.00 3.12 0.00 -0.78 0.04 -1.26 -1.85 135.00 134.27 2wvx s PRO 142 Ca 0.00 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.66 2wvx s PRO 142 Cb 0.00 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2wvx s PRO 142 CO 0.00 -0.27 0.00 0.25 0.04 0.00 0.00 177.00 177.02 2wvx n THR 143 N -2.12 0.00 -0.27 1.26 -2.24 0.43 -4.75 114.28 106.60 2wvx n THR 143 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2wvx n THR 143 Cb 0.57 -0.31 0.06 0.00 -2.10 0.00 0.00 70.33 68.55 2wvx n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wvx h GLU 144 N 0.00 1.03 0.00 -0.78 5.08 -1.95 -3.35 114.58 114.61 2wvx h GLU 144 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wvx h GLU 144 Cb 0.00 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2wvx h GLU 144 CO 0.00 0.74 0.00 0.54 -1.00 0.00 0.00 179.01 179.29 2wvx n ARG 145 N -4.49 1.99 -4.55 2.33 1.74 -1.26 -2.34 116.66 110.09 2wvx n ARG 145 Ca 0.07 -0.13 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 2wvx n ARG 145 Cb 0.07 -0.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.90 2wvx n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wvx s ALA 146 N -0.32 2.94 -0.08 7.54 0.00 -1.26 -3.30 121.76 127.29 2wvx s ALA 146 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 2wvx s ALA 146 Cb 0.00 0.51 0.05 0.00 0.00 0.00 0.00 23.12 23.69 2wvx s ALA 146 CO 0.00 -0.24 0.54 0.54 0.00 0.00 0.00 175.76 176.60 2wvx s VAL 147 N -3.12 0.02 -0.15 0.00 0.11 0.57 -0.43 120.40 117.41 2wvx s VAL 147 Ca 0.27 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2wvx s VAL 147 Cb 0.06 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2wvx s VAL 147 CO 0.13 -0.08 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.53 2wvx s LEU 148 N -0.90 3.05 -0.11 2.54 2.96 -0.77 -1.08 118.68 124.37 2wvx s LEU 148 Ca -0.09 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2wvx s LEU 148 Cb -0.03 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2wvx s LEU 148 CO 0.06 0.17 0.03 -0.36 -1.32 0.00 0.00 176.35 174.93 2wvx s PHE 149 N 0.37 3.23 -0.15 5.38 0.40 -0.12 -1.77 117.98 125.32 2wvx s PHE 149 Ca -0.07 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2wvx s PHE 149 Cb -0.15 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2wvx s PHE 149 CO 0.04 0.44 -0.20 0.50 0.70 0.00 0.00 175.22 176.70 2wvx s ARG 150 N -0.67 2.88 -0.18 0.44 3.52 -0.40 -0.84 118.95 123.70 2wvx s ARG 150 Ca 0.11 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 54.87 2wvx s ARG 150 Cb -0.12 -2.40 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 2wvx s ARG 150 CO 0.02 -0.09 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.35 2wvx s PHE 151 N 1.02 3.04 -0.39 5.12 0.08 0.70 -0.88 117.98 126.68 2wvx s PHE 151 Ca -0.02 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 2wvx s PHE 151 Cb -0.14 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 2wvx s PHE 151 CO -0.06 -0.16 0.23 0.99 -0.10 0.00 0.00 175.22 176.13 2wvx s THR 152 N 0.76 4.66 0.28 0.64 2.01 0.63 -0.42 115.64 124.20 2wvx s THR 152 Ca -0.00 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 2wvx s THR 152 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2wvx s THR 152 CO 0.02 -0.29 0.51 -0.36 -0.69 0.00 0.00 174.62 173.81 2wvx s PHE 153 N 1.56 3.48 0.79 4.92 0.08 -0.26 -1.91 117.98 126.64 2wvx s PHE 153 Ca 0.02 0.49 -0.10 0.00 0.12 0.00 0.00 56.93 57.47 2wvx s PHE 153 Cb -0.20 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.36 2wvx s PHE 153 CO 0.07 0.22 1.12 -1.25 -0.10 0.00 0.00 175.22 175.28 2wvx s PRO 154 N -3.67 1.79 0.02 0.24 0.04 -1.23 -0.65 135.00 131.54 2wvx s PRO 154 Ca 0.41 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 2wvx s PRO 154 Cb -0.11 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2wvx s PRO 154 CO 0.31 -1.59 1.95 -2.00 0.04 0.00 0.00 177.00 175.70 2wvx s GLU 155 N -5.47 4.12 -0.25 4.56 2.12 -1.25 -4.42 118.70 118.11 2wvx s GLU 155 Ca 0.64 2.56 -0.26 0.00 0.36 0.00 0.00 54.97 58.27 2wvx s GLU 155 Cb -0.09 -4.15 0.10 0.00 0.26 0.00 0.00 34.13 30.25 2wvx s GLU 155 CO 0.48 -0.98 0.91 1.21 -0.54 0.00 0.00 175.26 176.34 2wvx s ASN 156 N 4.45 -0.54 0.40 -1.70 3.84 -0.27 -4.91 114.94 116.20 2wvx s ASN 156 Ca 0.87 0.97 0.28 0.00 0.21 0.00 0.00 52.86 55.20 2wvx s ASN 156 Cb -0.42 0.96 1.04 0.00 -0.55 0.00 0.00 41.25 42.29 2wvx s ASN 156 CO 0.40 -0.23 1.82 0.44 -2.79 0.00 0.00 177.10 176.74 2wvx h ASP 157 N 4.16 0.00 -2.39 -4.21 3.32 -1.89 -0.70 116.42 114.72 2wvx h ASP 157 Ca -0.27 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.19 2wvx h ASP 157 Cb 1.17 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.34 2wvx h ASP 157 CO 0.13 0.00 -0.96 -1.00 -1.72 0.00 0.00 179.24 175.69 2wvx s HIS 158 N -3.43 1.15 -0.05 4.55 3.76 -1.26 -4.08 115.29 115.94 2wvx s HIS 158 Ca 0.04 -2.35 -0.04 0.00 -0.15 0.00 0.00 55.06 52.56 2wvx s HIS 158 Cb 0.09 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 2wvx s HIS 158 CO 0.52 -0.82 0.14 -1.12 -0.85 0.00 0.00 174.74 172.61 2wvx s SER 159 N 0.03 6.21 0.06 1.40 0.01 -0.55 -1.47 113.70 119.39 2wvx s SER 159 Ca 0.32 0.35 -0.00 0.00 1.31 0.00 0.00 55.95 57.93 2wvx s SER 159 Cb 0.03 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 2wvx s SER 159 CO -0.20 0.32 -0.04 -0.31 0.41 0.00 0.00 173.24 173.42 2wvx s TYR 160 N -1.18 0.58 -0.07 2.43 1.51 -0.15 -1.24 117.35 119.22 2wvx s TYR 160 Ca 0.22 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 2wvx s TYR 160 Cb -0.12 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2wvx s TYR 160 CO 0.12 -0.29 -0.15 0.08 -1.11 0.00 0.00 175.55 174.20 2wvx s VAL 161 N -3.44 1.33 -0.16 0.71 1.01 0.12 -1.04 120.40 118.93 2wvx s VAL 161 Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2wvx s VAL 161 Cb 0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2wvx s VAL 161 CO -0.07 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 2wvx s VAL 162 N 0.56 4.59 -0.18 2.92 1.01 -1.26 -1.02 120.40 127.02 2wvx s VAL 162 Ca -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2wvx s VAL 162 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wvx s VAL 162 CO 0.05 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 2wvx s VAL 163 N 0.08 3.03 -0.20 2.92 1.01 0.14 -4.23 120.40 123.15 2wvx s VAL 163 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2wvx s VAL 163 Cb -0.12 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2wvx s VAL 163 CO 0.01 0.48 -0.15 -0.62 0.00 0.00 0.00 175.10 174.82 2wvx s ASP 164 N 1.05 3.58 0.00 3.32 -1.08 -0.37 -0.39 116.67 122.79 2wvx s ASP 164 Ca -0.00 -0.69 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 2wvx s ASP 164 Cb -0.15 -1.55 0.68 0.00 -1.46 0.00 0.00 42.92 40.44 2wvx s ASP 164 CO -0.02 -0.03 1.53 0.00 0.52 0.00 0.00 175.17 177.17 2wvx n ALA 165 N 4.64 2.52 -0.27 3.66 0.00 -0.55 -1.37 120.51 129.14 2wvx n ALA 165 Ca -0.19 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.70 2wvx n ALA 165 Cb 0.49 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2wvx n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wvx n PHE 166 N 0.69 -0.70 -3.08 0.00 3.01 -1.26 -4.50 117.46 111.62 2wvx n PHE 166 Ca 0.17 0.37 -0.07 0.00 1.01 0.00 0.00 57.45 58.93 2wvx n PHE 166 Cb 0.45 -0.64 0.02 0.00 -0.01 0.00 0.00 39.48 39.31 2wvx n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2wvx n ASP 167 N -2.81 0.83 -0.54 4.37 5.75 -1.26 -4.01 116.55 118.88 2wvx n ASP 167 Ca -0.01 -1.54 -0.05 0.00 -0.01 0.00 0.00 54.79 53.17 2wvx n ASP 167 Cb 0.13 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 2wvx n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wvx n LYS 168 N -1.38 -0.41 0.00 0.11 5.02 -0.88 -3.81 118.16 116.81 2wvx n LYS 168 Ca 0.05 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2wvx n LYS 168 Cb 0.21 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.04 2wvx n LYS 168 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 169 N -1.47 1.35 3.69 0.72 0.00 0.03 -4.63 105.19 104.88 2wvx n GLY 169 Ca -0.06 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2wvx n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvx s SER 170 N 0.00 0.21 -0.05 1.61 1.04 -0.72 -3.11 113.70 112.67 2wvx s SER 170 Ca 0.00 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.22 2wvx s SER 170 Cb 0.00 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.88 2wvx s SER 170 CO 0.00 -1.44 0.20 -0.47 0.98 0.00 0.00 173.24 172.50 2wvx s TYR 171 N -3.02 -0.15 -0.04 5.02 5.04 -0.34 -1.91 117.35 121.94 2wvx s TYR 171 Ca 0.20 0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 55.07 2wvx s TYR 171 Cb -0.03 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.34 2wvx s TYR 171 CO 0.13 -0.18 0.26 -1.50 -1.34 0.00 0.00 175.55 172.92 2wvx s ILE 172 N -0.39 0.04 -0.18 3.14 1.10 -0.45 -1.23 121.20 123.22 2wvx s ILE 172 Ca -0.05 -0.35 -0.08 0.00 -0.51 0.00 0.00 60.65 59.66 2wvx s ILE 172 Cb -0.03 -0.50 0.07 0.00 0.15 0.00 0.00 42.46 42.15 2wvx s ILE 172 CO 0.01 -0.19 0.42 -0.75 -2.11 0.00 0.00 174.94 172.32 2wvx s LYS 173 N -0.80 0.37 -0.13 3.50 2.20 0.14 -1.28 119.74 123.73 2wvx s LYS 173 Ca -0.09 0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 56.28 2wvx s LYS 173 Cb -0.05 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.35 2wvx s LYS 173 CO 0.02 -0.20 0.31 0.42 -0.36 0.00 0.00 175.35 175.55 2wvx s ILE 174 N 1.90 5.28 -0.59 5.43 1.01 0.42 -0.75 121.20 133.90 2wvx s ILE 174 Ca -0.06 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.23 2wvx s ILE 174 Cb -0.10 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 38.88 2wvx s ILE 174 CO -0.13 0.42 0.35 -0.63 0.00 0.00 0.00 174.94 174.96 2wvx s ILE 175 N 0.19 2.60 0.44 2.92 1.01 0.62 -4.83 121.20 124.15 2wvx s ILE 175 Ca 0.18 -3.65 0.11 0.00 0.00 0.00 0.00 60.65 57.29 2wvx s ILE 175 Cb -0.14 -2.76 0.24 0.00 0.01 0.00 0.00 42.46 39.81 2wvx s ILE 175 CO 0.06 -0.90 2.05 1.55 0.00 0.00 0.00 174.94 177.71 2wvx h PRO 176 N 6.06 0.27 0.00 2.79 0.13 -1.97 -2.00 132.00 137.28 2wvx h PRO 176 Ca 0.02 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2wvx h PRO 176 Cb 0.84 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2wvx h PRO 176 CO 0.68 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 2wvx n GLU 177 N -4.45 0.06 -0.17 0.86 0.00 -1.26 -1.21 120.64 114.47 2wvx n GLU 177 Ca -0.00 0.18 0.09 0.00 0.00 0.00 0.00 57.16 57.43 2wvx n GLU 177 Cb 0.12 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.22 2wvx n GLU 177 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2wvx n GLU 178 N -1.45 1.52 -4.25 3.44 1.02 -0.80 -4.98 120.64 115.13 2wvx n GLU 178 Ca 0.05 -2.68 -0.31 0.00 -0.02 0.00 0.00 57.16 54.21 2wvx n GLU 178 Cb 0.19 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 2wvx n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wvx n ASN 179 N -1.30 0.40 -4.06 1.62 3.02 -0.35 -4.67 115.26 109.92 2wvx n ASN 179 Ca 0.17 -1.21 -0.18 0.00 -0.03 0.00 0.00 54.58 53.33 2wvx n ASN 179 Cb 0.68 -1.94 -0.13 0.00 -0.61 0.00 0.00 39.78 37.78 2wvx n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wvx s LYS 180 N -7.19 0.72 -0.08 3.52 2.20 -0.91 -1.24 119.74 116.76 2wvx s LYS 180 Ca 0.07 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 2wvx s LYS 180 Cb -0.04 -0.67 0.01 0.00 -1.51 0.00 0.00 37.83 35.62 2wvx s LYS 180 CO 0.98 0.17 -0.16 0.42 -0.36 0.00 0.00 175.35 176.39 2wvx s ILE 181 N -0.66 1.44 0.30 5.43 1.01 -0.03 -0.27 121.20 128.41 2wvx s ILE 181 Ca -0.00 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.10 2wvx s ILE 181 Cb -0.06 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 2wvx s ILE 181 CO 0.00 0.42 -0.15 0.27 0.00 0.00 0.00 174.94 175.49 2wvx s ILE 182 N 0.58 2.30 -0.02 2.92 -4.36 0.07 -0.51 121.20 122.19 2wvx s ILE 182 Ca -0.16 -2.31 -0.12 0.00 -0.26 0.00 0.00 60.65 57.80 2wvx s ILE 182 Cb -0.16 -2.42 0.04 0.00 1.25 0.00 0.00 42.46 41.16 2wvx s ILE 182 CO 0.05 -0.33 0.56 0.61 0.24 0.00 0.00 174.94 176.07 2wvx n GLY 183 N -0.67 0.40 3.07 6.27 0.00 -1.00 0.25 105.19 113.52 2wvx n GLY 183 Ca -0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 2wvx n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvx s TYR 184 N -2.46 0.16 0.13 1.61 -0.85 -0.36 -1.16 117.35 114.42 2wvx s TYR 184 Ca 0.13 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.38 2wvx s TYR 184 Cb -0.00 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 2wvx s TYR 184 CO -0.01 -0.28 -0.14 -0.08 -1.52 0.00 0.00 175.55 173.52 2wvx s THR 185 N -1.82 3.07 0.00 -3.49 -1.32 -0.83 -1.20 115.64 110.05 2wvx s THR 185 Ca -0.12 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2wvx s THR 185 Cb -0.06 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2wvx s THR 185 CO -0.01 0.06 0.03 0.35 -2.21 0.00 0.00 174.62 172.84 2wvx n THR 186 N 0.62 0.00 -1.67 5.08 -2.24 -1.18 -1.77 114.28 113.12 2wvx n THR 186 Ca -0.14 -0.23 -0.51 0.00 -2.27 0.00 0.00 64.05 60.91 2wvx n THR 186 Cb 0.53 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 2wvx n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wvx n ARG 187 N -0.40 1.75 -4.19 -0.78 0.63 -1.25 -4.80 116.66 107.63 2wvx n ARG 187 Ca 0.00 0.64 -0.16 0.00 -0.92 0.00 0.00 57.85 57.41 2wvx n ARG 187 Cb 0.02 -2.39 -0.07 0.00 0.45 0.00 0.00 32.46 30.46 2wvx n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wvx s ASN 188 N 2.62 1.06 -0.18 6.15 4.22 -1.26 -3.58 114.94 123.98 2wvx s ASN 188 Ca 0.90 -1.56 0.17 0.00 -2.14 0.00 0.00 52.86 50.22 2wvx s ASN 188 Cb -0.82 0.56 0.52 0.00 1.28 0.00 0.00 41.25 42.79 2wvx s ASN 188 CO 0.51 -1.11 1.41 -1.20 -2.04 0.00 0.00 177.10 174.68 2wvx n SER 189 N -1.22 3.82 0.00 3.54 7.64 -0.96 -4.96 113.62 121.49 2wvx n SER 189 Ca 0.04 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.90 2wvx n SER 189 Cb 0.63 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2wvx n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wvx n GLY 190 N -0.54 -3.57 2.22 0.23 0.00 -1.26 -5.01 105.19 97.26 2wvx n GLY 190 Ca 0.21 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2wvx n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 191 N -0.03 -0.11 3.18 -0.02 0.00 -1.26 -4.45 105.19 102.49 2wvx n GLY 191 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2wvx n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wvx s VAL 192 N -2.58 1.09 0.69 1.61 -7.23 -1.26 -0.41 120.40 112.30 2wvx s VAL 192 Ca 0.00 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 58.60 2wvx s VAL 192 Cb -0.00 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.78 2wvx s VAL 192 CO 0.00 -0.32 1.15 -2.84 -0.31 0.00 0.00 175.10 172.78 2wvx s PRO 193 N -2.07 2.53 0.51 4.82 0.02 -1.26 -4.92 135.00 134.64 2wvx s PRO 193 Ca 0.01 1.56 0.30 0.00 0.02 0.00 0.00 61.00 62.88 2wvx s PRO 193 Cb -0.08 -1.90 1.41 0.00 0.02 0.00 0.00 34.50 33.95 2wvx s PRO 193 CO 0.02 -1.49 1.85 1.05 -0.33 0.00 0.00 177.00 178.10 2wvx h GLU 194 N -0.06 0.09 -0.64 5.54 9.09 -1.98 -1.68 114.58 124.93 2wvx h GLU 194 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.93 2wvx h GLU 194 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2wvx h GLU 194 CO 0.52 0.06 0.00 0.27 0.05 0.00 0.00 179.01 179.91 2wvx n ASN 195 N -4.32 3.39 -4.71 3.06 6.94 -1.26 -4.97 115.26 113.39 2wvx n ASN 195 Ca 0.21 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 51.98 2wvx n ASN 195 Cb 0.99 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.87 2wvx n ASN 195 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wvx s PHE 196 N -1.84 2.79 -0.12 -2.53 5.36 -0.63 -4.99 117.98 116.01 2wvx s PHE 196 Ca 0.32 0.34 -0.20 0.00 -0.96 0.00 0.00 56.93 56.43 2wvx s PHE 196 Cb 0.22 -4.09 0.05 0.00 -0.34 0.00 0.00 43.02 38.86 2wvx s PHE 196 CO 0.13 -4.20 0.51 0.15 -1.46 0.00 0.00 175.22 170.35 2wvx s LYS 197 N 1.51 0.72 -0.27 10.12 1.02 -1.26 -4.78 119.74 126.79 2wvx s LYS 197 Ca 0.75 0.40 -0.03 0.00 0.02 0.00 0.00 55.97 57.11 2wvx s LYS 197 Cb -0.47 0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.20 2wvx s LYS 197 CO 0.33 -0.16 -0.00 1.21 -0.92 0.00 0.00 175.35 175.81 2wvx s ASN 198 N -0.43 4.69 -0.15 2.83 3.84 -0.73 -4.56 114.94 120.44 2wvx s ASN 198 Ca -0.06 -0.90 -0.17 0.00 0.21 0.00 0.00 52.86 51.95 2wvx s ASN 198 Cb -0.03 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 38.88 2wvx s ASN 198 CO 0.04 -0.18 0.41 -0.31 -2.79 0.00 0.00 177.10 174.27 2wvx s TYR 199 N 1.37 3.47 0.10 0.43 1.51 0.60 -1.97 117.35 122.86 2wvx s TYR 199 Ca -0.00 0.76 0.08 0.00 -1.01 0.00 0.00 57.07 56.90 2wvx s TYR 199 Cb -0.17 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 2wvx s TYR 199 CO -0.02 0.15 -0.21 -0.59 -1.11 0.00 0.00 175.55 173.77 2wvx s PHE 200 N 0.72 1.84 -0.03 2.71 -0.12 -0.31 -0.45 117.98 122.34 2wvx s PHE 200 Ca 0.22 -0.41 0.03 0.00 -0.05 0.00 0.00 56.93 56.72 2wvx s PHE 200 Cb -0.14 -1.01 -0.00 0.00 -0.63 0.00 0.00 43.02 41.24 2wvx s PHE 200 CO 0.08 0.21 -0.13 0.42 -0.05 0.00 0.00 175.22 175.75 2wvx s ILE 201 N -1.14 1.11 -0.14 -4.49 1.01 -0.47 -2.37 121.20 114.71 2wvx s ILE 201 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2wvx s ILE 201 Cb -0.10 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.43 2wvx s ILE 201 CO 0.04 0.33 -0.08 -0.63 0.00 0.00 0.00 174.94 174.60 2wvx s ILE 202 N 0.08 1.16 -0.20 2.92 1.01 0.34 -2.15 121.20 124.36 2wvx s ILE 202 Ca -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2wvx s ILE 202 Cb -0.10 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 2wvx s ILE 202 CO 0.01 0.29 -0.04 -1.61 0.00 0.00 0.00 174.94 173.59 2wvx s GLU 203 N 1.64 3.47 0.21 2.79 2.02 -0.06 -0.85 118.70 127.92 2wvx s GLU 203 Ca 0.03 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 2wvx s GLU 203 Cb -0.14 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 2wvx s GLU 203 CO -0.08 -0.05 0.42 -0.06 0.02 0.00 0.00 175.26 175.51 2wvx s PHE 204 N 1.10 3.48 -0.33 1.61 0.40 -0.38 -0.64 117.98 123.22 2wvx s PHE 204 Ca 0.01 0.43 0.10 0.00 -0.60 0.00 0.00 56.93 56.87 2wvx s PHE 204 Cb -0.15 -1.92 0.73 0.00 0.51 0.00 0.00 43.02 42.20 2wvx s PHE 204 CO -0.00 0.35 1.77 -0.40 0.70 0.00 0.00 175.22 177.64 2wvx n ASP 205 N -0.62 4.87 -3.78 1.36 5.75 -0.70 -4.80 116.55 118.62 2wvx n ASP 205 Ca -0.04 -3.14 -0.13 0.00 -0.01 0.00 0.00 54.79 51.46 2wvx n ASP 205 Cb 0.54 -0.74 -0.14 0.00 -1.03 0.00 0.00 41.12 39.75 2wvx n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wvx s LYS 206 N -2.88 0.07 0.56 0.11 2.20 -1.26 -4.90 119.74 113.65 2wvx s LYS 206 Ca 0.53 0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 56.20 2wvx s LYS 206 Cb 0.42 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 2wvx s LYS 206 CO 0.13 -0.12 1.24 -2.14 -0.36 0.00 0.00 175.35 174.11 2wvx s PRO 207 N 0.79 3.12 0.39 4.03 0.02 -1.26 -4.94 135.00 137.15 2wvx s PRO 207 Ca -0.06 1.92 -0.19 0.00 0.02 0.00 0.00 61.00 62.69 2wvx s PRO 207 Cb -0.08 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 2wvx s PRO 207 CO -0.03 -1.11 0.88 -0.06 -0.33 0.00 0.00 177.00 176.34 2wvx s PHE 208 N -1.51 3.35 0.00 6.54 0.08 -1.26 -4.82 117.98 120.36 2wvx s PHE 208 Ca 0.74 1.48 0.00 0.00 0.12 0.00 0.00 56.93 59.27 2wvx s PHE 208 Cb -0.33 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2wvx s PHE 208 CO 0.37 -0.03 0.00 2.41 -0.10 0.00 0.00 175.22 177.87 2wvx n THR 209 N -0.49 0.00 -4.28 0.64 -1.04 0.94 -5.00 114.28 105.04 2wvx n THR 209 Ca 0.06 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 61.59 2wvx n THR 209 Cb 0.54 0.83 -0.14 0.00 -1.82 0.00 0.00 70.33 69.74 2wvx n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2wvx s TYR 210 N -1.13 0.82 -0.27 -1.42 6.14 -0.74 -4.96 117.35 115.80 2wvx s TYR 210 Ca 0.00 -0.24 -0.17 0.00 0.64 0.00 0.00 57.07 57.30 2wvx s TYR 210 Cb 0.00 -0.51 0.08 0.00 0.42 0.00 0.00 41.96 41.94 2wvx s TYR 210 CO 0.00 -0.01 0.67 -1.59 0.64 0.00 0.00 175.55 175.25 2wvx s LYS 211 N -0.62 0.70 -0.17 4.97 -2.85 -1.26 -1.66 119.74 118.84 2wvx s LYS 211 Ca 0.01 1.14 -0.15 0.00 -1.00 0.00 0.00 55.97 55.97 2wvx s LYS 211 Cb -0.05 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.93 2wvx s LYS 211 CO 0.00 -0.14 0.46 0.00 0.10 0.00 0.00 175.35 175.77 2wvx s ALA 212 N 1.40 -1.14 0.33 0.59 0.00 -0.64 0.07 121.76 122.37 2wvx s ALA 212 Ca -0.08 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.27 2wvx s ALA 212 Cb -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2wvx s ALA 212 CO -0.16 -0.22 0.46 0.95 0.00 0.00 0.00 175.76 176.79 2wvx s THR 213 N 0.36 4.11 -0.05 0.00 -4.23 -0.84 -0.54 115.64 114.45 2wvx s THR 213 Ca -0.01 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2wvx s THR 213 Cb -0.04 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.38 2wvx s THR 213 CO -0.01 -0.16 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.05 2wvx s VAL 214 N -2.17 1.45 -0.15 2.29 1.01 0.10 -0.52 120.40 122.41 2wvx s VAL 214 Ca 0.45 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2wvx s VAL 214 Cb -0.09 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wvx s VAL 214 CO 0.31 0.42 -0.11 -0.70 0.00 0.00 0.00 175.10 175.02 2wvx s GLU 215 N 0.18 1.97 -1.70 2.72 -6.30 -0.34 -2.23 118.70 113.00 2wvx s GLU 215 Ca -0.07 -0.54 -0.18 0.00 -2.50 0.00 0.00 54.97 51.67 2wvx s GLU 215 Cb -0.13 -2.04 0.16 0.00 0.00 0.00 0.00 34.13 32.12 2wvx s GLU 215 CO 0.03 -0.30 0.79 1.04 0.02 0.00 0.00 175.26 176.83 2wvx n GLN 216 N 4.81 -3.17 -0.43 4.30 1.13 -1.06 -0.06 117.38 122.89 2wvx n GLN 216 Ca -0.15 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2wvx n GLN 216 Cb 0.49 -5.09 0.00 0.00 0.11 0.00 0.00 30.24 25.75 2wvx n GLN 216 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wvx n GLY 217 N -1.41 1.30 3.64 1.08 0.00 -1.26 -5.02 105.19 103.51 2wvx n GLY 217 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2wvx n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvx s ASN 218 N -3.14 6.27 0.08 1.61 -0.87 0.91 -4.97 114.94 114.83 2wvx s ASN 218 Ca 0.00 0.30 -0.30 0.00 -1.57 0.00 0.00 52.86 51.29 2wvx s ASN 218 Cb 0.00 -2.19 -0.05 0.00 -0.02 0.00 0.00 41.25 38.99 2wvx s ASN 218 CO 0.00 -0.08 0.97 -0.22 -2.57 0.00 0.00 177.10 175.20 2wvx s LEU 219 N 1.57 4.46 -0.42 0.60 0.20 -1.26 -1.20 118.68 122.63 2wvx s LEU 219 Ca 0.14 1.76 0.02 0.00 0.69 0.00 0.00 54.13 56.74 2wvx s LEU 219 Cb -0.15 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.16 2wvx s LEU 219 CO 0.08 -0.13 0.23 -1.58 -0.29 0.00 0.00 176.35 174.67 2wvx s GLN 220 N 0.28 1.15 0.26 1.98 2.00 0.32 -4.98 119.66 120.67 2wvx s GLN 220 Ca 0.48 -1.88 -0.30 0.00 -2.00 0.00 0.00 55.36 51.67 2wvx s GLN 220 Cb -0.23 -2.16 -0.10 0.00 0.80 0.00 0.00 33.01 31.32 2wvx s GLN 220 CO 0.29 -1.17 1.47 -2.00 -0.50 0.00 0.00 175.29 173.38 2wvx s GLU 221 N 0.49 4.24 0.00 1.67 2.12 -1.26 -1.99 118.70 123.97 2wvx s GLU 221 Ca 0.18 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.86 2wvx s GLU 221 Cb -0.24 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2wvx s GLU 221 CO 0.00 -0.46 0.00 0.09 -0.54 0.00 0.00 175.26 174.36 2wvx n ASN 222 N 2.23 -4.81 -4.58 -1.70 5.03 0.11 -4.93 115.26 106.62 2wvx n ASN 222 Ca 0.07 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.11 2wvx n ASN 222 Cb 0.40 -2.51 -0.08 0.00 -1.02 0.00 0.00 39.78 36.57 2wvx n ASN 222 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wvx s VAL 223 N -1.35 5.03 0.30 2.41 1.01 -1.12 -4.99 120.40 121.69 2wvx s VAL 223 Ca 0.00 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2wvx s VAL 223 Cb 0.00 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wvx s VAL 223 CO 0.00 -0.11 1.70 0.00 0.00 0.00 0.00 175.10 176.69 2wvx h ALA 224 N 8.31 1.11 -2.46 5.51 0.00 -1.89 -3.25 119.26 126.59 2wvx h ALA 224 Ca -0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 2wvx h ALA 224 Cb 1.13 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.66 2wvx h ALA 224 CO 0.75 0.59 -0.69 -1.83 0.00 0.00 0.00 179.25 178.08 2wvx s GLU 225 N -4.13 0.52 -0.02 0.00 -1.05 -1.26 -0.44 118.70 112.32 2wvx s GLU 225 Ca -0.04 -1.04 -0.01 0.00 -0.15 0.00 0.00 54.97 53.73 2wvx s GLU 225 Cb 0.13 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 34.02 2wvx s GLU 225 CO 0.77 -0.09 0.04 -0.65 0.95 0.00 0.00 175.26 176.28 2wvx s GLN 226 N -3.18 0.00 -0.26 -4.83 -1.52 -0.40 -5.01 119.66 104.47 2wvx s GLN 226 Ca 0.00 0.15 0.02 0.00 -1.95 0.00 0.00 55.36 53.58 2wvx s GLN 226 Cb 0.03 -0.14 0.05 0.00 -0.22 0.00 0.00 33.01 32.73 2wvx s GLN 226 CO -0.07 -0.10 -0.11 0.99 -0.25 0.00 0.00 175.29 175.75 2wvx s THR 227 N 0.67 2.27 0.25 -0.19 2.01 -1.26 -1.35 115.64 118.04 2wvx s THR 227 Ca -0.05 -1.52 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 2wvx s THR 227 Cb -0.08 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.18 2wvx s THR 227 CO -0.02 0.03 0.58 1.07 -0.69 0.00 0.00 174.62 175.58 2wvx n THR 228 N 4.48 0.00 -0.02 -0.82 5.66 -0.80 -5.04 114.28 117.73 2wvx n THR 228 Ca -0.15 -0.64 -0.17 0.00 -3.05 0.00 0.00 64.05 60.05 2wvx n THR 228 Cb 0.43 0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 2wvx n THR 228 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2wvx h ASP 229 N 1.38 0.92 -2.90 1.09 2.03 -1.95 -1.93 116.42 115.06 2wvx h ASP 229 Ca -0.23 -0.60 -0.55 0.00 -0.73 0.00 0.00 57.03 54.93 2wvx h ASP 229 Cb 0.86 -0.27 -0.40 0.00 -0.83 0.00 0.00 39.33 38.68 2wvx h ASP 229 CO 0.29 1.39 -0.77 -2.28 -1.03 0.00 0.00 179.24 176.84 2wvx s HIS 230 N -3.77 0.75 0.21 4.15 2.46 -1.26 -0.79 115.29 117.03 2wvx s HIS 230 Ca -0.10 -1.15 -0.03 0.00 0.47 0.00 0.00 55.06 54.25 2wvx s HIS 230 Cb 0.09 -1.15 -0.05 0.00 -0.13 0.00 0.00 32.58 31.34 2wvx s HIS 230 CO 0.90 -0.84 0.43 0.00 -2.47 0.00 0.00 174.74 172.76 2wvx s ALA 231 N 1.94 3.76 0.30 1.58 0.00 -1.26 -2.57 121.76 125.51 2wvx s ALA 231 Ca 0.09 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 2wvx s ALA 231 Cb -0.16 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.86 2wvx s ALA 231 CO -0.33 0.45 0.73 0.20 0.00 0.00 0.00 175.76 176.81 2wvx s GLY 232 N -2.96 0.04 0.03 0.00 0.00 -0.95 -1.48 107.32 102.00 2wvx s GLY 232 Ca 0.41 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.71 2wvx s GLY 232 CO 0.28 -0.16 -0.05 0.00 0.00 0.00 0.00 173.10 173.18 2wvx s ALA 233 N -3.55 0.33 -0.09 3.20 0.00 0.48 0.03 121.76 122.15 2wvx s ALA 233 Ca 0.12 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2wvx s ALA 233 Cb -0.06 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2wvx s ALA 233 CO 0.08 -0.14 -0.08 0.42 0.00 0.00 0.00 175.76 176.05 2wvx s ILE 234 N -1.72 0.94 0.30 0.00 1.01 0.30 0.23 121.20 122.27 2wvx s ILE 234 Ca -0.11 -0.29 0.11 0.00 0.00 0.00 0.00 60.65 60.36 2wvx s ILE 234 Cb -0.08 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2wvx s ILE 234 CO -0.01 0.34 -0.14 0.27 0.00 0.00 0.00 174.94 175.39 2wvx s ILE 235 N 1.29 2.45 0.30 2.92 -5.25 -0.19 -1.63 121.20 121.10 2wvx s ILE 235 Ca -0.03 -2.29 -0.20 0.00 -0.99 0.00 0.00 60.65 57.13 2wvx s ILE 235 Cb -0.14 -2.47 0.03 0.00 2.95 0.00 0.00 42.46 42.83 2wvx s ILE 235 CO -0.03 -0.32 0.74 -0.83 -1.79 0.00 0.00 174.94 172.71 2wvx s GLY 236 N -3.56 -0.00 0.08 6.27 0.00 -0.66 0.12 107.32 109.57 2wvx s GLY 236 Ca 0.31 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.38 2wvx s GLY 236 CO 0.16 -0.12 1.13 -0.11 0.00 0.00 0.00 173.10 174.16 2wvx s PHE 237 N -3.59 -0.03 0.00 1.90 -0.00 -0.38 -0.04 117.98 115.84 2wvx s PHE 237 Ca 0.12 -0.21 -0.15 0.00 -0.00 0.00 0.00 56.93 56.69 2wvx s PHE 237 Cb -0.06 0.61 -0.06 0.00 -0.00 0.00 0.00 43.02 43.52 2wvx s PHE 237 CO 0.08 -0.59 0.43 0.15 -0.00 0.00 0.00 175.22 175.29 2wvx s LYS 238 N -2.56 3.97 0.05 1.99 1.02 -1.26 -1.48 119.74 121.48 2wvx s LYS 238 Ca 0.18 0.46 0.06 0.00 0.02 0.00 0.00 55.97 56.68 2wvx s LYS 238 Cb 0.01 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2wvx s LYS 238 CO 0.01 0.66 -0.16 0.95 -0.92 0.00 0.00 175.35 175.88 2wvx s THR 239 N -1.00 1.30 0.62 2.17 -4.23 -0.27 -4.99 115.64 109.25 2wvx s THR 239 Ca 0.24 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2wvx s THR 239 Cb -0.17 -1.17 0.07 0.00 1.34 0.00 0.00 72.50 72.57 2wvx s THR 239 CO 0.14 0.04 0.87 0.00 -0.54 0.00 0.00 174.62 175.13 2wvx s ARG 240 N -1.25 2.19 0.09 3.99 1.70 -1.26 -1.12 118.95 123.29 2wvx s ARG 240 Ca 0.03 -0.91 -0.32 0.00 -0.47 0.00 0.00 55.73 54.05 2wvx s ARG 240 Cb -0.08 -2.42 -0.12 0.00 -0.57 0.00 0.00 34.95 31.76 2wvx s ARG 240 CO 0.02 -1.03 1.80 1.17 -1.08 0.00 0.00 175.30 176.18 2wvx n LYS 241 N -2.56 2.55 -1.00 3.89 4.81 -1.26 -1.55 118.16 123.05 2wvx n LYS 241 Ca 0.11 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 2wvx n LYS 241 Cb 0.60 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.86 2wvx n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wvx n GLY 242 N 4.10 0.40 3.73 3.14 0.00 0.17 -4.85 105.19 111.88 2wvx n GLY 242 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2wvx n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvx s GLU 243 N -0.42 4.31 -0.15 1.61 2.12 -0.59 -4.66 118.70 120.92 2wvx s GLU 243 Ca 0.00 2.17 -0.07 0.00 0.36 0.00 0.00 54.97 57.42 2wvx s GLU 243 Cb 0.00 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2wvx s GLU 243 CO 0.00 -0.40 0.11 -0.65 -0.54 0.00 0.00 175.26 173.78 2wvx s GLN 244 N 0.34 3.70 -0.10 4.30 -0.21 -1.26 -1.10 119.66 125.33 2wvx s GLN 244 Ca 0.61 -0.22 0.04 0.00 0.02 0.00 0.00 55.36 55.81 2wvx s GLN 244 Cb -0.39 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.41 2wvx s GLN 244 CO 0.36 0.55 -0.23 0.08 -2.12 0.00 0.00 175.29 173.93 2wvx s VAL 245 N -0.38 1.97 -0.05 1.09 1.01 0.45 -4.95 120.40 119.53 2wvx s VAL 245 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2wvx s VAL 245 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2wvx s VAL 245 CO 0.01 0.54 0.03 0.20 0.00 0.00 0.00 175.10 175.89 2wvx s ASN 246 N 0.44 5.44 -0.16 3.32 0.01 -1.26 -0.22 114.94 122.51 2wvx s ASN 246 Ca -0.17 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2wvx s ASN 246 Cb -0.17 -1.55 0.03 0.00 0.41 0.00 0.00 41.25 39.97 2wvx s ASN 246 CO 0.07 0.34 -0.10 0.00 -1.51 0.00 0.00 177.10 175.90 2wvx s ALA 247 N -1.01 1.72 -0.11 0.60 0.00 -0.02 -1.73 121.76 121.20 2wvx s ALA 247 Ca 0.17 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2wvx s ALA 247 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2wvx s ALA 247 CO 0.07 -0.61 0.58 1.03 0.00 0.00 0.00 175.76 176.83 2wvx s ARG 248 N 1.53 4.35 -0.01 0.00 0.52 0.18 -0.94 118.95 124.59 2wvx s ARG 248 Ca 0.02 0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.89 2wvx s ARG 248 Cb -0.14 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 2wvx s ARG 248 CO -0.09 0.05 -0.08 0.42 0.02 0.00 0.00 175.30 175.62 2wvx s ILE 249 N 0.92 0.66 0.12 1.52 1.01 -0.24 -0.88 121.20 124.32 2wvx s ILE 249 Ca 0.30 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 2wvx s ILE 249 Cb -0.16 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 2wvx s ILE 249 CO 0.13 0.19 0.20 0.00 0.00 0.00 0.00 174.94 175.46 2wvx s ALA 250 N -0.14 0.04 0.15 9.38 0.00 -0.91 -0.31 121.76 129.96 2wvx s ALA 250 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2wvx s ALA 250 Cb -0.04 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2wvx s ALA 250 CO -0.00 -0.56 0.11 -1.54 0.00 0.00 0.00 175.76 173.77 2wvx s SER 251 N -2.93 0.24 0.03 0.00 1.04 -1.21 -1.37 113.70 109.50 2wvx s SER 251 Ca 0.12 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.24 2wvx s SER 251 Cb 0.05 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.51 2wvx s SER 251 CO -0.05 -0.78 0.23 -0.55 0.98 0.00 0.00 173.24 173.07 2wvx s SER 252 N -3.06 -0.03 0.00 7.02 0.15 0.40 -4.71 113.70 113.47 2wvx s SER 252 Ca 0.27 -0.27 0.23 0.00 0.70 0.00 0.00 55.95 56.87 2wvx s SER 252 Cb 0.07 0.30 0.38 0.00 -1.71 0.00 0.00 66.02 65.06 2wvx s SER 252 CO 0.04 -0.55 1.37 0.49 1.20 0.00 0.00 173.24 175.79 2wvx n PHE 253 N 0.76 0.41 -0.09 3.44 3.01 -1.26 -0.29 117.46 123.44 2wvx n PHE 253 Ca -0.19 -0.21 -0.16 0.00 1.01 0.00 0.00 57.45 57.90 2wvx n PHE 253 Cb 0.59 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.00 2wvx n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wvx n ILE 254 N 1.47 1.26 -3.66 4.37 5.41 -1.26 -4.70 119.36 122.26 2wvx n ILE 254 Ca 0.18 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 2wvx n ILE 254 Cb 0.61 -1.93 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 2wvx n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wvx s SER 255 N -6.51 -0.14 0.25 4.38 1.04 -1.26 -4.99 113.70 106.48 2wvx s SER 255 Ca -0.26 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 2wvx s SER 255 Cb 0.08 0.30 0.26 0.00 0.10 0.00 0.00 66.02 66.76 2wvx s SER 255 CO 0.35 -0.55 1.89 -0.26 0.98 0.00 0.00 173.24 175.65 2wvx h PHE 256 N 2.00 1.23 -0.60 5.02 0.04 -1.93 -1.16 116.94 121.53 2wvx h PHE 256 Ca -0.25 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.46 2wvx h PHE 256 Cb 1.21 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.93 2wvx h PHE 256 CO 0.34 0.82 0.18 1.49 -0.60 0.00 0.00 178.31 180.53 2wvx h GLU 257 N 1.28 0.92 -0.32 1.51 4.81 -1.99 -0.08 114.58 120.71 2wvx h GLU 257 Ca 0.33 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 2wvx h GLU 257 Cb -0.05 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2wvx h GLU 257 CO -0.06 0.79 -0.50 0.37 -0.73 0.00 0.00 179.01 178.88 2wvx h GLN 258 N 0.89 0.89 -1.00 1.92 5.75 -1.90 -2.40 115.11 119.26 2wvx h GLN 258 Ca 0.20 -0.53 0.01 0.00 -0.15 0.00 0.00 58.65 58.18 2wvx h GLN 258 Cb 0.27 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 2wvx h GLN 258 CO -0.01 1.17 0.66 0.00 -2.65 0.00 0.00 178.83 178.01 2wvx h ALA 259 N 0.73 1.30 -0.26 3.38 0.00 -0.54 0.51 119.26 124.37 2wvx h ALA 259 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2wvx h ALA 259 Cb 1.10 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2wvx h ALA 259 CO 0.11 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.87 2wvx h ALA 260 N 1.38 1.28 -0.23 0.00 0.00 -0.89 -2.52 119.26 118.27 2wvx h ALA 260 Ca 0.37 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2wvx h ALA 260 Cb -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2wvx h ALA 260 CO -0.09 0.48 -0.57 0.00 0.00 0.00 0.00 179.25 179.07 2wvx h ALA 261 N 1.45 0.56 0.00 0.00 0.00 -0.80 -3.34 119.26 117.13 2wvx h ALA 261 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wvx h ALA 261 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wvx h ALA 261 CO 0.03 0.69 0.35 0.09 0.00 0.00 0.00 179.25 180.41 2wvx n ASN 262 N -3.97 0.00 0.00 0.00 5.03 0.08 -4.35 115.26 112.05 2wvx n ASN 262 Ca -0.04 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.15 2wvx n ASN 262 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2wvx n ASN 262 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2wvx n ASN 264 N 2.65 0.00 0.20 6.41 5.03 -1.25 -4.53 115.26 123.76 2wvx n ASN 264 Ca 0.00 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.56 2wvx n ASN 264 Cb 0.00 -0.10 0.67 0.00 -1.02 0.00 0.00 39.78 39.33 2wvx n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2wvx h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.95 -2.24 114.58 118.99 2wvx h GLU 265 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wvx h GLU 265 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wvx h GLU 265 CO 0.00 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.89 2wvx h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.96 -3.49 115.31 114.57 2wvx h LEU 266 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wvx h LEU 266 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wvx h LEU 266 CO -0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2wvx n GLY 267 N 0.85 2.69 1.23 0.83 0.00 -0.85 -1.74 105.19 108.22 2wvx n GLY 267 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.85 2wvx n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wvx n LYS 268 N 14.00 3.49 -2.19 1.61 5.02 -1.26 -4.98 118.16 133.85 2wvx n LYS 268 Ca 0.00 -2.96 -0.37 0.00 -2.02 0.00 0.00 58.31 52.96 2wvx n LYS 268 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 2wvx n LYS 268 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wvx s ASP 269 N -1.60 5.89 0.72 4.39 1.01 -0.71 -5.06 116.67 121.32 2wvx s ASP 269 Ca 0.46 2.33 0.00 0.00 0.71 0.00 0.00 52.55 56.06 2wvx s ASP 269 Cb 0.37 -2.60 0.14 0.00 1.01 0.00 0.00 42.92 41.84 2wvx s ASP 269 CO 0.11 -1.11 0.97 -0.46 0.21 0.00 0.00 175.17 174.89 2wvx n ASN 270 N -0.82 1.38 -0.14 0.27 0.23 -1.26 -4.86 115.26 110.06 2wvx n ASN 270 Ca 0.09 -2.15 -0.04 0.00 -0.53 0.00 0.00 54.58 51.96 2wvx n ASN 270 Cb 0.49 -0.62 0.03 0.00 -2.08 0.00 0.00 39.78 37.59 2wvx n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wvx h ILE 271 N -0.56 0.59 -0.44 1.53 1.08 -1.97 -0.87 117.51 116.87 2wvx h ILE 271 Ca -0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2wvx h ILE 271 Cb 1.21 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 2wvx h ILE 271 CO 0.35 0.01 0.28 -0.33 -0.69 0.00 0.00 178.15 177.77 2wvx h GLU 272 N 0.04 0.58 -0.36 2.37 3.07 -1.98 0.36 114.58 118.66 2wvx h GLU 272 Ca 0.22 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 2wvx h GLU 272 Cb 0.34 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2wvx h GLU 272 CO -0.43 0.39 0.08 1.96 -1.40 0.00 0.00 179.01 179.61 2wvx h GLN 273 N 0.59 0.58 -0.31 2.33 4.20 -1.85 -1.68 115.11 118.96 2wvx h GLN 273 Ca 0.16 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2wvx h GLN 273 Cb -0.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2wvx h GLN 273 CO -0.03 0.63 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.36 2wvx h LEU 274 N 0.43 0.70 -0.52 1.46 3.38 -0.93 -1.69 115.31 118.14 2wvx h LEU 274 Ca 0.11 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2wvx h LEU 274 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2wvx h LEU 274 CO 0.00 0.97 0.29 0.00 0.09 0.00 0.00 178.44 179.80 2wvx h ALA 275 N 1.07 0.67 -0.66 1.53 0.00 -0.19 -1.01 119.26 120.67 2wvx h ALA 275 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2wvx h ALA 275 Cb 0.83 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2wvx h ALA 275 CO 0.07 -0.02 0.10 0.37 0.00 0.00 0.00 179.25 179.77 2wvx h GLN 276 N 0.58 1.09 -0.38 0.00 5.75 -1.05 0.20 115.11 121.30 2wvx h GLN 276 Ca 0.22 -0.30 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 2wvx h GLN 276 Cb 0.07 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2wvx h GLN 276 CO -0.12 1.01 0.10 0.87 -2.65 0.00 0.00 178.83 178.04 2wvx h LYS 277 N 1.01 0.55 -0.07 1.69 1.57 -1.00 0.43 116.57 120.76 2wvx h LYS 277 Ca 0.20 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 2wvx h LYS 277 Cb 0.45 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.68 2wvx h LYS 277 CO 0.01 0.50 -0.90 0.78 -0.57 0.00 0.00 179.45 179.27 2wvx h GLY 278 N 0.76 0.82 1.00 3.86 0.00 -0.59 -1.02 103.07 107.90 2wvx h GLY 278 Ca 0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.15 2wvx h GLY 278 CO -0.01 1.15 0.36 1.70 0.00 0.00 0.00 176.54 179.75 2wvx h LYS 279 N 0.45 0.86 -0.60 4.80 3.64 -0.73 -0.89 116.57 124.10 2wvx h LYS 279 Ca -0.09 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2wvx h LYS 279 Cb 1.55 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 2wvx h LYS 279 CO 0.18 0.63 0.27 -0.44 -2.27 0.00 0.00 179.45 177.83 2wvx h ASP 280 N 0.85 0.81 -0.68 4.20 3.32 -0.84 0.69 116.42 124.78 2wvx h ASP 280 Ca 0.22 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2wvx h ASP 280 Cb 0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2wvx h ASP 280 CO -0.04 0.74 0.34 0.00 -1.72 0.00 0.00 179.24 178.56 2wvx h ALA 281 N 1.11 0.87 -0.30 3.45 0.00 -0.76 -1.27 119.26 122.36 2wvx h ALA 281 Ca 0.21 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wvx h ALA 281 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wvx h ALA 281 CO -0.02 0.42 -0.06 -1.49 0.00 0.00 0.00 179.25 178.10 2wvx h TRP 282 N 0.94 0.64 0.00 0.00 4.06 -0.87 -3.12 115.95 117.60 2wvx h TRP 282 Ca 0.23 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 2wvx h TRP 282 Cb 0.10 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 2wvx h TRP 282 CO 0.00 0.75 -0.17 -0.91 -3.56 0.00 0.00 178.44 174.55 2wvx h ASN 283 N 0.35 0.00 -0.50 -3.49 2.35 -0.62 0.16 115.58 113.82 2wvx h ASN 283 Ca 0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2wvx h ASN 283 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2wvx h ASN 283 CO 0.03 0.17 0.12 -0.61 -1.65 0.00 0.00 177.43 175.49 2wvx h GLN 284 N 0.00 0.87 0.11 0.81 4.15 -1.18 0.90 115.11 120.77 2wvx h GLN 284 Ca -0.00 -0.19 -0.32 0.00 0.77 0.00 0.00 58.65 58.91 2wvx h GLN 284 Cb 0.31 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2wvx h GLN 284 CO 0.02 0.79 -1.69 -0.39 -1.93 0.00 0.00 178.83 175.63 2wvx h VAL 285 N 0.83 0.81 -0.82 2.39 -1.51 -1.38 -3.35 116.25 113.22 2wvx h VAL 285 Ca 0.18 -2.35 -0.01 0.00 -1.23 0.00 0.00 66.70 63.29 2wvx h VAL 285 Cb 0.32 2.54 -0.04 0.00 -2.13 0.00 0.00 31.29 31.98 2wvx h VAL 285 CO 0.00 0.75 0.47 -0.07 -1.23 0.00 0.00 177.57 177.48 2wvx h LEU 286 N -0.21 1.01 0.00 4.19 3.38 -0.75 -2.75 115.31 120.17 2wvx h LEU 286 Ca -0.37 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wvx h LEU 286 Cb 1.85 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2wvx h LEU 286 CO 0.04 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2wvx n GLY 287 N -1.21 -0.73 0.28 0.83 0.00 0.31 -2.19 105.19 102.48 2wvx n GLY 287 Ca 0.09 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.18 2wvx n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvx h LYS 288 N 0.00 0.00 -4.44 1.61 1.79 -1.62 -3.39 116.57 110.52 2wvx h LYS 288 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 2wvx h LYS 288 Cb 0.08 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.36 2wvx h LYS 288 CO 0.00 0.00 -0.80 0.42 -1.08 0.00 0.00 179.45 177.99 2wvx s ILE 289 N -3.70 1.54 -0.29 1.86 1.01 -0.93 -0.49 121.20 120.19 2wvx s ILE 289 Ca 0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 2wvx s ILE 289 Cb 0.09 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.89 2wvx s ILE 289 CO 0.53 0.07 0.05 -1.61 0.00 0.00 0.00 174.94 173.98 2wvx s GLU 290 N 1.42 2.94 -0.01 2.79 2.02 -0.03 -4.95 118.70 122.87 2wvx s GLU 290 Ca -0.03 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.03 2wvx s GLU 290 Cb -0.17 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2wvx s GLU 290 CO -0.07 -0.47 -0.03 0.14 0.02 0.00 0.00 175.26 174.84 2wvx s VAL 291 N 1.44 3.96 0.08 2.63 -7.23 -1.26 -0.32 120.40 119.70 2wvx s VAL 291 Ca 0.01 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2wvx s VAL 291 Cb -0.18 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2wvx s VAL 291 CO 0.01 0.42 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.61 2wvx s GLU 292 N -1.38 0.74 -0.59 4.82 2.02 -0.07 -4.95 118.70 119.28 2wvx s GLU 292 Ca 0.17 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 2wvx s GLU 292 Cb -0.11 0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.30 2wvx s GLU 292 CO 0.08 -0.16 0.50 0.41 0.02 0.00 0.00 175.26 176.11 2wvx n GLY 293 N 0.03 -0.05 1.84 -1.39 0.00 -1.26 -2.43 105.19 101.93 2wvx n GLY 293 Ca -0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2wvx n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 294 N -1.18 3.20 4.01 -0.02 0.00 -1.26 -1.80 105.19 108.14 2wvx n GLY 294 Ca -0.11 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 2wvx n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvx s ASN 295 N -2.30 5.66 0.37 1.61 2.20 -1.26 -4.95 114.94 116.26 2wvx s ASN 295 Ca 0.21 -0.42 0.05 0.00 -0.94 0.00 0.00 52.86 51.76 2wvx s ASN 295 Cb 0.01 -0.66 0.70 0.00 -2.00 0.00 0.00 41.25 39.30 2wvx s ASN 295 CO 0.15 -0.76 1.96 0.25 -2.94 0.00 0.00 177.10 175.76 2wvx h LEU 296 N 0.64 0.51 -1.03 3.54 5.85 -2.02 -1.20 115.31 121.60 2wvx h LEU 296 Ca -0.40 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2wvx h LEU 296 Cb 1.28 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2wvx h LEU 296 CO 0.45 0.48 0.52 0.44 -0.34 0.00 0.00 178.44 179.98 2wvx h ASP 297 N 0.56 1.05 -0.22 1.25 3.32 -1.99 -1.75 116.42 118.65 2wvx h ASP 297 Ca 0.14 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2wvx h ASP 297 Cb 0.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wvx h ASP 297 CO -0.01 0.81 -0.34 1.56 -1.72 0.00 0.00 179.24 179.54 2wvx h GLN 298 N 1.20 0.62 -0.58 3.56 4.20 -1.65 -0.21 115.11 122.25 2wvx h GLN 298 Ca 0.31 -0.37 0.05 0.00 0.06 0.00 0.00 58.65 58.70 2wvx h GLN 298 Cb -0.04 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2wvx h GLN 298 CO -0.06 0.98 0.30 1.88 -0.67 0.00 0.00 178.83 181.26 2wvx h TYR 299 N 0.31 0.55 -0.47 2.96 0.05 -1.13 0.11 116.97 119.35 2wvx h TYR 299 Ca 0.02 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 2wvx h TYR 299 Cb 0.93 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2wvx h TYR 299 CO 0.08 0.26 0.02 0.00 -1.05 0.00 0.00 178.16 177.47 2wvx h ARG 300 N 0.57 0.82 -0.27 4.88 3.08 -1.22 -0.60 114.38 121.64 2wvx h ARG 300 Ca 0.26 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wvx h ARG 300 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wvx h ARG 300 CO -0.18 0.86 0.08 1.15 -1.07 0.00 0.00 179.97 180.81 2wvx h THR 301 N 0.68 1.20 0.03 2.04 2.02 -0.79 -0.94 112.91 117.15 2wvx h THR 301 Ca 0.14 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2wvx h THR 301 Cb 0.47 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2wvx h THR 301 CO 0.02 0.22 -0.01 0.15 0.37 0.00 0.00 175.52 176.26 2wvx h PHE 302 N 0.28 -0.04 0.00 3.16 3.57 -0.60 -0.88 116.94 122.43 2wvx h PHE 302 Ca 0.09 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2wvx h PHE 302 Cb 0.25 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2wvx h PHE 302 CO 0.01 0.11 -0.56 1.88 -2.23 0.00 0.00 178.31 177.51 2wvx h TYR 303 N -0.17 0.00 -0.43 0.41 0.05 -1.12 -0.76 116.97 114.95 2wvx h TYR 303 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 2wvx h TYR 303 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2wvx h TYR 303 CO -0.03 0.56 -0.20 0.77 -1.05 0.00 0.00 178.16 178.21 2wvx h SER 304 N 0.00 0.93 -0.09 3.88 0.02 -1.06 -0.56 113.55 116.66 2wvx h SER 304 Ca -0.01 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.44 2wvx h SER 304 Cb 1.18 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2wvx h SER 304 CO 0.07 1.12 -0.27 0.00 -1.14 0.00 0.00 176.83 176.62 2wvx h LEU 306 N 0.48 0.37 -0.58 0.00 5.85 -0.91 -1.84 115.31 118.67 2wvx h LEU 306 Ca 0.07 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.57 2wvx h LEU 306 Cb 0.72 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 2wvx h LEU 306 CO 0.06 0.61 0.07 0.22 -0.34 0.00 0.00 178.44 179.05 2wvx h TYR 307 N 0.12 0.08 0.00 1.25 3.20 -0.98 -0.13 116.97 120.51 2wvx h TYR 307 Ca 0.06 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2wvx h TYR 307 Cb 0.43 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2wvx h TYR 307 CO 0.04 -0.09 -0.01 0.00 -1.64 0.00 0.00 178.16 176.46 2wvx h ARG 308 N 0.19 0.00 -0.01 1.82 2.47 -1.09 -2.07 114.38 115.68 2wvx h ARG 308 Ca 0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2wvx h ARG 308 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2wvx h ARG 308 CO -0.43 0.01 -0.04 0.43 0.56 0.00 0.00 179.97 180.50 2wvx n SER 309 N -3.21 0.80 -1.16 7.04 7.64 -0.08 -4.08 113.62 120.57 2wvx n SER 309 Ca -0.02 -1.10 -0.02 0.00 1.01 0.00 0.00 58.87 58.74 2wvx n SER 309 Cb 0.14 -0.01 0.13 0.00 -1.01 0.00 0.00 64.21 63.47 2wvx n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wvx n LEU 310 N -0.48 3.07 -0.01 -3.43 4.77 -0.78 -4.73 117.00 115.41 2wvx n LEU 310 Ca 0.19 -3.90 -0.02 0.00 -0.03 0.00 0.00 56.01 52.25 2wvx n LEU 310 Cb 0.27 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2wvx n LEU 310 CO 0.19 1.49 -0.58 0.18 -1.33 0.00 0.00 177.39 177.33 2wvx n LEU 311 N -0.83 2.68 -4.17 2.23 4.77 -1.26 -0.95 117.00 119.47 2wvx n LEU 311 Ca 0.24 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2wvx n LEU 311 Cb 0.81 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.69 2wvx n LEU 311 CO 0.08 0.49 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.79 2wvx s PHE 312 N -2.05 1.45 0.62 -1.77 0.40 -1.26 -3.67 117.98 111.70 2wvx s PHE 312 Ca -0.03 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.80 2wvx s PHE 312 Cb 0.01 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 2wvx s PHE 312 CO 0.06 0.04 1.12 -1.25 0.70 0.00 0.00 175.22 175.89 2wvx s PRO 313 N -0.92 2.96 0.40 0.24 0.04 -1.26 -4.95 135.00 131.51 2wvx s PRO 313 Ca 0.05 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 2wvx s PRO 313 Cb -0.08 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2wvx s PRO 313 CO 0.01 -1.13 0.77 -0.98 0.04 0.00 0.00 177.00 175.71 2wvx s ARG 314 N -3.83 3.80 0.31 4.56 1.70 -0.29 -4.77 118.95 120.44 2wvx s ARG 314 Ca 0.69 0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 56.15 2wvx s ARG 314 Cb -0.22 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.65 2wvx s ARG 314 CO 0.37 -0.03 1.44 1.63 -1.08 0.00 0.00 175.30 177.63 2wvx n LYS 315 N -1.24 2.38 -0.20 3.89 5.02 0.04 -1.92 118.16 126.13 2wvx n LYS 315 Ca 0.03 0.84 0.07 0.00 -2.02 0.00 0.00 58.31 57.22 2wvx n LYS 315 Cb 0.54 -2.53 0.09 0.00 -0.02 0.00 0.00 35.03 33.11 2wvx n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wvx n PHE 316 N 1.20 0.00 -4.32 2.13 7.35 -1.26 -4.79 117.46 117.77 2wvx n PHE 316 Ca 0.07 -0.68 -0.24 0.00 -0.76 0.00 0.00 57.45 55.84 2wvx n PHE 316 Cb 0.36 -0.12 -0.08 0.00 0.35 0.00 0.00 39.48 39.99 2wvx n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2wvx s TYR 317 N -1.94 2.61 0.17 -5.13 -0.85 -1.26 -4.44 117.35 106.51 2wvx s TYR 317 Ca 0.21 -0.24 0.04 0.00 -0.52 0.00 0.00 57.07 56.56 2wvx s TYR 317 Cb 0.19 -1.19 -0.05 0.00 0.38 0.00 0.00 41.96 41.29 2wvx s TYR 317 CO 0.02 0.61 -0.06 -1.21 -1.52 0.00 0.00 175.55 173.39 2wvx s GLU 318 N -3.41 1.11 -0.24 -3.49 2.02 0.35 -4.93 118.70 110.11 2wvx s GLU 318 Ca 0.29 -1.50 -0.10 0.00 0.02 0.00 0.00 54.97 53.68 2wvx s GLU 318 Cb -0.07 -0.53 -0.05 0.00 0.10 0.00 0.00 34.13 33.59 2wvx s GLU 318 CO 0.18 -0.00 0.14 -0.51 0.02 0.00 0.00 175.26 175.09 2wvx s LEU 319 N -3.19 4.01 0.00 1.80 1.02 -1.26 -0.53 118.68 120.53 2wvx s LEU 319 Ca 0.20 0.07 -0.17 0.00 0.02 0.00 0.00 54.13 54.25 2wvx s LEU 319 Cb 0.04 -2.07 0.24 0.00 0.02 0.00 0.00 46.19 44.41 2wvx s LEU 319 CO 0.02 0.06 1.06 -0.90 0.02 0.00 0.00 176.35 176.61 2wvx n ASP 320 N 4.32 -1.04 0.32 2.29 5.68 0.25 -4.80 116.55 123.57 2wvx n ASP 320 Ca -0.15 -1.24 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 2wvx n ASP 320 Cb 0.52 -0.89 0.95 0.00 -1.14 0.00 0.00 41.12 40.56 2wvx n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvx h ALA 321 N -2.28 1.17 -0.54 2.12 0.00 -1.99 -0.32 119.26 117.43 2wvx h ALA 321 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wvx h ALA 321 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wvx h ALA 321 CO 0.25 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.42 2wvx n ASN 322 N -2.88 3.56 0.00 0.00 3.02 -1.26 -4.94 115.26 112.76 2wvx n ASN 322 Ca -0.02 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2wvx n ASN 322 Cb 0.23 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2wvx n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvx n GLY 323 N 1.36 0.52 3.88 7.41 0.00 -0.13 -5.05 105.19 113.18 2wvx n GLY 323 Ca 0.20 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2wvx n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 324 N -0.38 3.65 0.16 1.61 -1.52 -1.26 -4.74 119.66 117.18 2wvx s GLN 324 Ca 0.00 0.01 -0.30 0.00 -1.95 0.00 0.00 55.36 53.12 2wvx s GLN 324 Cb 0.00 -3.02 -0.08 0.00 -0.22 0.00 0.00 33.01 29.70 2wvx s GLN 324 CO 0.00 0.59 1.19 -1.25 -0.25 0.00 0.00 175.29 175.57 2wvx s PRO 325 N -1.95 4.49 0.11 2.91 0.04 -1.26 -0.58 135.00 138.76 2wvx s PRO 325 Ca 0.31 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2wvx s PRO 325 Cb -0.13 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2wvx s PRO 325 CO 0.18 -0.11 -0.04 0.96 0.04 0.00 0.00 177.00 178.03 2wvx s ILE 326 N 0.17 0.63 -0.03 0.56 -4.36 0.31 0.46 121.20 118.93 2wvx s ILE 326 Ca 0.54 -1.93 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 2wvx s ILE 326 Cb -0.32 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2wvx s ILE 326 CO 0.35 -0.79 0.27 -1.38 0.24 0.00 0.00 174.94 173.62 2wvx s HIS 327 N -3.67 -0.16 0.17 1.37 -3.43 0.10 -0.49 115.29 109.17 2wvx s HIS 327 Ca 0.14 0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.40 2wvx s HIS 327 Cb 0.06 0.07 -0.08 0.00 -1.43 0.00 0.00 32.58 31.20 2wvx s HIS 327 CO -0.03 -0.31 1.22 -0.47 -2.00 0.00 0.00 174.74 173.15 2wvx s TYR 328 N -0.99 3.39 -0.36 0.38 5.04 -1.26 -1.04 117.35 122.52 2wvx s TYR 328 Ca -0.11 1.36 -0.25 0.00 -2.44 0.00 0.00 57.07 55.63 2wvx s TYR 328 Cb -0.05 -3.47 0.01 0.00 0.35 0.00 0.00 41.96 38.81 2wvx s TYR 328 CO 0.03 -1.37 0.87 0.45 -1.34 0.00 0.00 175.55 174.18 2wvx s SER 329 N 0.31 6.63 0.00 4.32 0.15 0.30 -4.89 113.70 120.53 2wvx s SER 329 Ca 0.55 0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.87 2wvx s SER 329 Cb -0.33 -2.44 1.02 0.00 -1.71 0.00 0.00 66.02 62.56 2wvx s SER 329 CO 0.36 -0.80 1.45 -0.81 1.20 0.00 0.00 173.24 174.64 2wvx n PRO 330 N 6.61 0.66 -0.13 5.44 -0.04 -1.26 -0.98 135.00 145.30 2wvx n PRO 330 Ca 0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 2wvx n PRO 330 Cb 0.48 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 2wvx n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wvx n TYR 331 N -0.90 0.00 -0.47 0.54 4.01 -1.26 -4.03 117.16 115.04 2wvx n TYR 331 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2wvx n TYR 331 Cb 0.06 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 2wvx n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wvx n ASN 332 N -3.26 0.72 0.00 7.72 0.23 -1.23 -4.86 115.26 114.58 2wvx n ASN 332 Ca -0.45 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 2wvx n ASN 332 Cb 0.98 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.68 2wvx n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvx n GLY 333 N -0.10 0.40 3.91 4.83 0.00 -0.16 -5.01 105.19 109.07 2wvx n GLY 333 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wvx n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvx s GLN 334 N -0.69 3.10 -0.26 1.61 -0.21 -1.26 -4.74 119.66 117.20 2wvx s GLN 334 Ca 0.00 0.18 -0.09 0.00 0.02 0.00 0.00 55.36 55.47 2wvx s GLN 334 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 2wvx s GLN 334 CO 0.00 -0.65 0.13 0.08 -2.12 0.00 0.00 175.29 172.73 2wvx s VAL 335 N -3.02 4.82 0.10 1.09 1.01 -1.26 -0.54 120.40 122.60 2wvx s VAL 335 Ca 0.53 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.55 2wvx s VAL 335 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2wvx s VAL 335 CO 0.47 0.31 -0.10 -0.76 0.00 0.00 0.00 175.10 175.02 2wvx s LEU 336 N 1.58 2.41 0.52 3.92 1.43 -0.20 -4.94 118.68 123.40 2wvx s LEU 336 Ca 0.06 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.14 2wvx s LEU 336 Cb -0.15 -0.28 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 2wvx s LEU 336 CO 0.07 -0.27 1.21 -2.16 0.23 0.00 0.00 176.35 175.42 2wvx s PRO 337 N -2.83 3.39 0.00 1.29 0.04 -1.26 -0.72 135.00 134.91 2wvx s PRO 337 Ca 0.05 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2wvx s PRO 337 Cb -0.03 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wvx s PRO 337 CO -0.00 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2wvx n GLY 338 N 0.48 -2.04 3.92 0.56 0.00 0.17 -4.79 105.19 103.48 2wvx n GLY 338 Ca 0.10 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 2wvx n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvx s TYR 339 N -0.55 1.20 -0.01 1.61 2.02 -1.26 -3.79 117.35 116.56 2wvx s TYR 339 Ca 0.00 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.63 2wvx s TYR 339 Cb 0.00 -4.23 0.10 0.00 -0.40 0.00 0.00 41.96 37.44 2wvx s TYR 339 CO 0.00 -2.94 1.06 -0.06 -1.57 0.00 0.00 175.55 172.04 2wvx s PHE 341 N -3.91 -0.18 0.04 2.71 0.40 -1.26 -4.07 117.98 111.71 2wvx s PHE 341 Ca 0.77 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 57.11 2wvx s PHE 341 Cb -0.02 0.56 0.01 0.00 0.51 0.00 0.00 43.02 44.07 2wvx s PHE 341 CO 0.54 -0.48 0.08 -2.37 0.70 0.00 0.00 175.22 173.69 2wvx n THR 342 N -0.32 0.00 -3.06 0.64 5.66 -0.81 -4.83 114.28 111.57 2wvx n THR 342 Ca -0.06 -0.10 -0.13 0.00 -3.05 0.00 0.00 64.05 60.71 2wvx n THR 342 Cb 0.61 0.10 0.07 0.00 -1.55 0.00 0.00 70.33 69.56 2wvx n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wvx n ASP 343 N -1.03 -2.09 -3.81 1.09 8.00 -0.60 -1.13 116.55 116.99 2wvx n ASP 343 Ca -0.01 -0.46 -0.12 0.00 0.71 0.00 0.00 54.79 54.91 2wvx n ASP 343 Cb 0.06 -3.92 -0.09 0.00 -0.02 0.00 0.00 41.12 37.14 2wvx n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wvx s THR 344 N -3.27 0.06 -0.23 -3.53 -1.32 -1.14 -4.45 115.64 101.76 2wvx s THR 344 Ca 0.01 -0.50 -0.02 0.00 -1.21 0.00 0.00 61.69 59.97 2wvx s THR 344 Cb -0.00 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.49 2wvx s THR 344 CO 0.54 -0.28 -0.08 -0.83 -2.21 0.00 0.00 174.62 171.76 2wvx s GLY 345 N -1.17 1.58 0.46 6.08 0.00 -1.26 -2.36 107.32 110.64 2wvx s GLY 345 Ca -0.12 -1.34 0.13 0.00 0.00 0.00 0.00 44.72 43.38 2wvx s GLY 345 CO 0.03 0.45 2.04 0.74 0.00 0.00 0.00 173.10 176.36 2wvx h PHE 346 N 8.02 0.12 -0.90 1.90 0.04 -1.40 -0.72 116.94 123.99 2wvx h PHE 346 Ca -0.37 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.59 2wvx h PHE 346 Cb 1.13 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.17 2wvx h PHE 346 CO 0.56 0.18 0.59 2.35 -0.60 0.00 0.00 178.31 181.39 2wvx h TRP 347 N 0.12 0.58 0.05 -0.55 7.01 -1.82 -1.43 115.95 119.91 2wvx h TRP 347 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2wvx h TRP 347 Cb 0.17 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2wvx h TRP 347 CO 0.00 0.16 -0.02 -0.44 -2.79 0.00 0.00 178.44 175.35 2wvx h ASP 348 N 0.44 -0.05 0.31 2.65 3.45 -1.51 -3.43 116.42 118.28 2wvx h ASP 348 Ca 0.47 -0.51 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2wvx h ASP 348 Cb 1.12 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2wvx h ASP 348 CO -0.19 0.67 -0.49 0.35 -1.57 0.00 0.00 179.24 178.01 2wvx n THR 349 N -4.75 0.00 0.08 0.35 -2.24 -0.89 -3.35 114.28 103.48 2wvx n THR 349 Ca -0.06 -0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2wvx n THR 349 Cb 0.27 0.47 0.35 0.00 -2.10 0.00 0.00 70.33 69.32 2wvx n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvx h PHE 350 N 0.55 0.35 0.00 4.78 -0.00 -1.54 -2.04 116.94 119.04 2wvx h PHE 350 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 57.93 2wvx h PHE 350 Cb 0.52 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 36.37 2wvx h PHE 350 CO 0.00 0.44 -0.00 0.00 -0.00 0.00 0.00 178.31 178.75 2wvx h ARG 351 N 0.32 -0.00 0.00 6.09 3.08 -1.80 -3.42 114.38 118.64 2wvx h ARG 351 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wvx h ARG 351 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2wvx h ARG 351 CO 0.02 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 2wvx h LEU 353 N 0.00 -0.36 -0.74 0.00 7.12 -1.81 -0.16 115.31 119.36 2wvx h LEU 353 Ca 0.00 -0.11 -0.04 0.00 0.13 0.00 0.00 57.88 57.86 2wvx h LEU 353 Cb 0.00 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 2wvx h LEU 353 CO 0.00 -0.10 0.30 -0.26 -0.13 0.00 0.00 178.44 178.25 2wvx h PHE 354 N -0.62 1.12 -0.35 1.25 0.04 -1.63 -1.43 116.94 115.31 2wvx h PHE 354 Ca -0.04 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 2wvx h PHE 354 Cb 0.45 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2wvx h PHE 354 CO -0.01 0.85 0.20 -1.35 -0.60 0.00 0.00 178.31 177.41 2wvx h PRO 355 N 1.06 0.46 -0.64 1.51 0.11 -1.79 -0.96 132.00 131.75 2wvx h PRO 355 Ca 0.25 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.34 2wvx h PRO 355 Cb 0.20 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 2wvx h PRO 355 CO -0.02 0.33 0.41 1.25 -0.21 0.00 0.00 178.00 179.77 2wvx h LEU 356 N 0.47 0.70 -0.74 2.35 5.85 0.08 -1.76 115.31 122.26 2wvx h LEU 356 Ca 0.12 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2wvx h LEU 356 Cb -0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2wvx h LEU 356 CO -0.02 0.50 0.48 -0.07 -0.34 0.00 0.00 178.44 178.99 2wvx h LEU 357 N 0.83 0.81 -1.55 2.25 3.38 -0.83 -2.66 115.31 117.54 2wvx h LEU 357 Ca 0.24 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2wvx h LEU 357 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2wvx h LEU 357 CO -0.07 0.58 -0.24 0.78 0.09 0.00 0.00 178.44 179.58 2wvx h ASN 358 N 0.96 0.00 0.59 -0.43 -0.26 -0.74 0.16 115.58 115.86 2wvx h ASN 358 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 2wvx h ASN 358 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2wvx h ASN 358 CO -0.08 0.24 -0.03 -0.11 -1.06 0.00 0.00 177.43 176.39 2wvx n LEU 359 N -4.11 0.07 -2.42 1.61 7.94 -0.71 -4.40 117.00 114.97 2wvx n LEU 359 Ca -0.02 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2wvx n LEU 359 Cb 0.30 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wvx n LEU 359 CO 0.36 0.01 0.00 -1.22 -1.11 0.00 0.00 177.39 175.43 2wvx n TYR 361 N -1.27 0.00 0.25 1.96 4.01 0.45 -4.79 117.16 117.77 2wvx n TYR 361 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.96 2wvx n TYR 361 Cb 0.26 -0.12 0.62 0.00 -0.31 0.00 0.00 39.34 39.79 2wvx n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wvx h PRO 362 N 2.41 0.00 -0.14 -0.72 0.13 -1.47 -0.36 132.00 131.86 2wvx h PRO 362 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2wvx h PRO 362 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2wvx h PRO 362 CO 0.00 0.11 -0.01 0.66 -0.23 0.00 0.00 178.00 178.53 2wvx h SER 363 N 0.00 0.17 -0.03 1.44 4.64 -1.95 -0.49 113.55 117.33 2wvx h SER 363 Ca -0.00 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 2wvx h SER 363 Cb 0.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wvx h SER 363 CO 0.01 0.23 -0.29 0.58 -0.87 0.00 0.00 176.83 176.49 2wvx h VAL 364 N 0.19 1.48 0.00 0.95 2.07 -1.42 -3.19 116.25 116.32 2wvx h VAL 364 Ca 0.05 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 2wvx h VAL 364 Cb 0.16 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2wvx h VAL 364 CO 0.00 0.51 -0.11 -1.13 0.02 0.00 0.00 177.57 176.86 2wvx h ASN 365 N -0.33 0.00 -0.55 0.57 -1.24 -1.21 -1.13 115.58 111.70 2wvx h ASN 365 Ca -0.03 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.06 2wvx h ASN 365 Cb 0.99 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 2wvx h ASN 365 CO 0.06 0.11 0.19 0.50 -1.29 0.00 0.00 177.43 177.00 2wvx h LYS 366 N 0.00 0.35 -1.09 6.67 1.63 -1.08 0.64 116.57 123.69 2wvx h LYS 366 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2wvx h LYS 366 Cb 0.22 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2wvx h LYS 366 CO 0.01 0.23 0.00 0.39 -3.45 0.00 0.00 179.45 176.64 2wvx n GLU 367 N -5.01 0.08 0.00 1.90 1.02 -0.43 -2.07 120.64 116.13 2wvx n GLU 367 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2wvx n GLU 367 Cb 0.24 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2wvx n GLU 367 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wvx n GLN 369 N 0.73 0.00 -0.03 3.49 1.13 0.21 -1.49 117.38 121.43 2wvx n GLN 369 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 2wvx n GLN 369 Cb 0.03 0.00 0.34 0.00 0.11 0.00 0.00 30.24 30.72 2wvx n GLN 369 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wvx h GLU 370 N 0.00 0.60 -0.43 -1.09 4.39 -1.66 -1.91 114.58 114.47 2wvx h GLU 370 Ca 0.00 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2wvx h GLU 370 Cb 0.00 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2wvx h GLU 370 CO 0.00 0.50 -0.08 0.78 -1.16 0.00 0.00 179.01 179.05 2wvx h GLY 371 N 0.75 0.82 1.02 -3.84 0.00 -1.41 -1.98 103.07 98.43 2wvx h GLY 371 Ca 0.15 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2wvx h GLY 371 CO -0.02 0.54 0.25 1.41 0.00 0.00 0.00 176.54 178.73 2wvx h LEU 372 N 0.69 0.93 -0.39 3.11 3.38 -1.71 0.22 115.31 121.54 2wvx h LEU 372 Ca 0.12 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2wvx h LEU 372 Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2wvx h LEU 372 CO 0.03 0.86 0.19 0.40 0.09 0.00 0.00 178.44 180.01 2wvx h ILE 373 N 0.95 0.97 -0.94 1.22 1.08 -1.10 -0.98 117.51 118.71 2wvx h ILE 373 Ca 0.22 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2wvx h ILE 373 Cb 0.23 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2wvx h ILE 373 CO -0.02 0.07 0.62 0.78 -0.69 0.00 0.00 178.15 178.92 2wvx h ASN 374 N 0.39 1.08 -0.14 1.72 -0.26 -0.82 -0.18 115.58 117.37 2wvx h ASN 374 Ca 0.17 -0.03 0.04 0.00 -0.56 0.00 0.00 56.30 55.92 2wvx h ASN 374 Cb 0.08 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.03 2wvx h ASN 374 CO -0.12 0.78 -0.11 0.74 -1.06 0.00 0.00 177.43 177.66 2wvx h THR 375 N 1.27 0.67 -0.51 2.81 2.02 0.20 0.25 112.91 119.64 2wvx h THR 375 Ca 0.34 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.55 2wvx h THR 375 Cb -0.15 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2wvx h THR 375 CO -0.07 0.00 0.29 0.22 0.37 0.00 0.00 175.52 176.33 2wvx h TYR 376 N -0.13 0.54 -0.80 3.16 3.20 -0.85 -0.41 116.97 121.69 2wvx h TYR 376 Ca 0.09 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2wvx h TYR 376 Cb 0.26 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2wvx h TYR 376 CO -0.24 0.30 0.32 -0.07 -1.64 0.00 0.00 178.16 176.83 2wvx h LEU 377 N 0.58 1.09 0.00 2.82 3.38 -0.58 0.84 115.31 123.44 2wvx h LEU 377 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wvx h LEU 377 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2wvx h LEU 377 CO -0.11 0.96 -0.40 -0.33 0.09 0.00 0.00 178.44 178.65 2wvx h GLU 378 N 1.16 0.00 0.00 1.13 5.08 -0.20 -3.38 114.58 118.37 2wvx h GLU 378 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2wvx h GLU 378 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wvx h GLU 378 CO -0.02 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 2wvx n SER 379 N -2.95 0.05 0.00 1.42 3.41 -0.19 -4.34 113.62 111.01 2wvx n SER 379 Ca 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2wvx n SER 379 Cb 0.55 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2wvx n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvx n GLY 380 N 0.54 2.45 3.12 5.00 0.00 0.28 -5.02 105.19 111.57 2wvx n GLY 380 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wvx n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvx s PHE 381 N -2.30 0.94 0.44 1.61 0.40 -1.25 -4.95 117.98 112.87 2wvx s PHE 381 Ca 0.00 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.59 2wvx s PHE 381 Cb 0.00 -0.54 -0.08 0.00 0.51 0.00 0.00 43.02 42.91 2wvx s PHE 381 CO 0.00 -0.02 1.09 -0.06 0.70 0.00 0.00 175.22 176.93 2wvx s PHE 382 N -1.49 3.08 0.74 0.36 0.08 -1.26 -3.14 117.98 116.34 2wvx s PHE 382 Ca -0.05 1.60 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 2wvx s PHE 382 Cb -0.09 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 2wvx s PHE 382 CO 0.01 -0.97 1.07 -1.25 -0.10 0.00 0.00 175.22 173.99 2wvx s PRO 383 N -2.72 2.58 0.10 0.24 0.04 -1.26 -4.51 135.00 129.47 2wvx s PRO 383 Ca 0.62 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2wvx s PRO 383 Cb -0.23 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 2wvx s PRO 383 CO 0.28 -1.32 -0.00 0.39 0.04 0.00 0.00 177.00 176.39 2wvx n GLU 384 N -3.27 0.01 -4.14 4.56 -0.58 -1.26 -4.56 120.64 111.41 2wvx n GLU 384 Ca 0.07 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 2wvx n GLU 384 Cb 0.54 -0.51 -0.14 0.00 -0.57 0.00 0.00 31.44 30.77 2wvx n GLU 384 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2wvx s TRP 385 N -2.01 2.92 -0.07 -0.32 0.52 -1.26 -0.94 118.94 117.78 2wvx s TRP 385 Ca -0.00 -0.90 0.02 0.00 0.02 0.00 0.00 56.10 55.24 2wvx s TRP 385 Cb 0.00 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2wvx s TRP 385 CO 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 176.95 176.39 2wvx s ALA 386 N 1.16 1.28 -0.43 0.98 0.00 -1.00 -1.35 121.76 122.41 2wvx s ALA 386 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2wvx s ALA 386 Cb -0.14 -0.61 0.20 0.00 0.00 0.00 0.00 23.12 22.56 2wvx s ALA 386 CO -0.02 0.05 0.88 0.45 0.00 0.00 0.00 175.76 177.12 2wvx s SER 387 N 0.78 -0.95 0.14 0.00 0.15 -1.26 -1.55 113.70 111.01 2wvx s SER 387 Ca -0.12 -1.03 0.20 0.00 0.70 0.00 0.00 55.95 55.70 2wvx s SER 387 Cb -0.15 1.24 -0.06 0.00 -1.71 0.00 0.00 66.02 65.33 2wvx s SER 387 CO 0.02 -0.04 0.94 -0.81 1.20 0.00 0.00 173.24 174.55 2wvx n PRO 388 N 2.99 0.61 -0.82 5.44 -0.04 -1.25 -4.67 135.00 137.27 2wvx n PRO 388 Ca 0.14 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2wvx n PRO 388 Cb 0.60 -1.81 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2wvx n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wvx n GLY 389 N 1.27 0.34 3.73 0.55 0.00 0.46 -4.72 105.19 106.80 2wvx n GLY 389 Ca -0.04 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2wvx n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wvx s HIS 390 N -0.58 2.92 0.02 1.61 3.76 -1.26 -4.26 115.29 117.50 2wvx s HIS 390 Ca 0.12 0.50 0.06 0.00 -0.15 0.00 0.00 55.06 55.59 2wvx s HIS 390 Cb -0.01 -4.07 -0.02 0.00 1.11 0.00 0.00 32.58 29.59 2wvx s HIS 390 CO 0.08 -3.94 -0.18 1.03 -0.85 0.00 0.00 174.74 170.87 2wvx s ARG 391 N 0.84 1.34 -0.64 1.40 1.81 -0.45 -4.45 118.95 118.80 2wvx s ARG 391 Ca 0.71 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 53.70 2wvx s ARG 391 Cb -0.48 -1.37 0.05 0.00 -0.45 0.00 0.00 34.95 32.70 2wvx s ARG 391 CO 0.35 0.36 1.02 0.20 -0.68 0.00 0.00 175.30 176.55 2wvx s GLY 392 N -0.85 1.28 -0.48 -3.53 0.00 -1.26 -4.48 107.32 98.00 2wvx s GLY 392 Ca 0.06 -1.56 0.05 0.00 0.00 0.00 0.00 44.72 43.28 2wvx s GLY 392 CO 0.01 2.18 0.85 0.00 0.00 0.00 0.00 173.10 176.14 2wvx s VAL 395 N 0.77 2.18 0.00 0.00 -7.23 -1.26 -4.64 120.40 110.22 2wvx s VAL 395 Ca 0.30 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2wvx s VAL 395 Cb 0.11 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2wvx s VAL 395 CO -0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2wvx n GLY 396 N -1.38 -0.17 2.27 2.32 0.00 -1.26 -4.63 105.19 102.33 2wvx n GLY 396 Ca -0.01 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 2wvx n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wvx n ASN 397 N -1.00 5.63 0.00 1.61 4.05 -1.26 -4.86 115.26 119.43 2wvx n ASN 397 Ca 0.00 -3.76 0.09 0.00 0.45 0.00 0.00 54.58 51.36 2wvx n ASN 397 Cb 0.00 -0.55 0.43 0.00 1.23 0.00 0.00 39.78 40.88 2wvx n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2wvx n ASN 398 N -0.68 0.00 -0.18 1.20 3.02 -1.26 -1.83 115.26 115.53 2wvx n ASN 398 Ca 0.47 0.37 0.27 0.00 -0.03 0.00 0.00 54.58 55.67 2wvx n ASN 398 Cb 0.77 -0.44 0.69 0.00 -0.61 0.00 0.00 39.78 40.19 2wvx n ASN 398 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2wvx h SER 399 N 0.00 0.06 -0.83 6.41 4.64 -1.89 -0.48 113.55 121.47 2wvx h SER 399 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2wvx h SER 399 Cb 0.29 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2wvx h SER 399 CO 0.00 0.02 0.42 0.00 -0.87 0.00 0.00 176.83 176.40 2wvx h ALA 400 N 1.57 1.06 -0.41 5.18 0.00 -1.72 0.73 119.26 125.67 2wvx h ALA 400 Ca 0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2wvx h ALA 400 Cb 1.62 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2wvx h ALA 400 CO -0.03 0.60 0.03 1.03 0.00 0.00 0.00 179.25 180.88 2wvx h SER 401 N 1.16 0.69 0.22 0.00 0.87 -1.31 -1.65 113.55 113.52 2wvx h SER 401 Ca 0.29 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2wvx h SER 401 Cb 0.08 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2wvx h SER 401 CO -0.04 0.80 -0.25 0.40 -0.53 0.00 0.00 176.83 177.22 2wvx h ILE 402 N 0.55 0.47 -0.54 2.23 1.08 -1.00 0.00 117.51 120.30 2wvx h ILE 402 Ca 0.12 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.53 2wvx h ILE 402 Cb 0.43 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2wvx h ILE 402 CO 0.02 0.00 0.09 -0.07 -0.69 0.00 0.00 178.15 177.50 2wvx h LEU 403 N -0.51 0.85 0.07 1.44 3.38 -0.84 -2.54 115.31 117.16 2wvx h LEU 403 Ca 0.00 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.43 2wvx h LEU 403 Cb 0.49 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wvx h LEU 403 CO -0.07 0.89 -1.19 0.58 0.09 0.00 0.00 178.44 178.74 2wvx h VAL 404 N 0.78 1.30 -0.64 1.22 2.07 -1.26 -2.42 116.25 117.29 2wvx h VAL 404 Ca 0.16 -2.46 0.03 0.00 0.82 0.00 0.00 66.70 65.26 2wvx h VAL 404 Cb 0.40 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 2wvx h VAL 404 CO 0.01 0.75 0.40 -0.78 0.02 0.00 0.00 177.57 177.96 2wvx h ASP 405 N 0.28 0.65 0.13 0.57 3.58 -0.99 -2.24 116.42 118.40 2wvx h ASP 405 Ca -0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2wvx h ASP 405 Cb 1.86 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.77 2wvx h ASP 405 CO 0.23 0.45 -0.06 0.00 -2.88 0.00 0.00 179.24 176.97 2wvx h ALA 406 N 1.28 -0.17 0.00 -0.78 0.00 -1.47 -2.27 119.26 115.84 2wvx h ALA 406 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wvx h ALA 406 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wvx h ALA 406 CO -0.11 -0.57 0.00 0.98 0.00 0.00 0.00 179.25 179.55 2wvx n TYR 407 N -5.14 0.00 -0.03 0.00 4.19 -0.84 -1.01 117.16 114.33 2wvx n TYR 407 Ca -0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.13 2wvx n TYR 407 Cb 0.11 -0.07 0.00 0.00 0.49 0.00 0.00 39.34 39.87 2wvx n TYR 407 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2wvx n LYS 409 N 0.83 -0.06 -0.90 2.98 5.02 -0.86 -4.16 118.16 121.01 2wvx n LYS 409 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wvx n LYS 409 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wvx n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 410 N 0.00 0.58 3.37 0.72 0.00 -1.05 -4.97 105.19 103.84 2wvx n GLY 410 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wvx n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvx s VAL 411 N -2.13 5.50 -0.26 1.61 1.01 -0.18 -5.01 120.40 120.94 2wvx s VAL 411 Ca 0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 61.98 59.30 2wvx s VAL 411 Cb 0.00 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 2wvx s VAL 411 CO 0.00 -1.23 0.09 -0.54 0.00 0.00 0.00 175.10 173.42 2wvx s LYS 412 N 0.37 3.58 0.77 2.72 1.02 -1.26 -3.19 119.74 123.74 2wvx s LYS 412 Ca 0.27 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.59 2wvx s LYS 412 Cb -0.08 -3.39 0.06 0.00 -0.52 0.00 0.00 37.83 33.90 2wvx s LYS 412 CO -0.08 -0.25 1.16 0.14 -0.92 0.00 0.00 175.35 175.41 2wvx s VAL 413 N 1.61 2.53 0.17 3.17 -7.23 -1.26 -4.93 120.40 114.47 2wvx s VAL 413 Ca 0.06 0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.37 2wvx s VAL 413 Cb -0.16 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2wvx s VAL 413 CO 0.04 -0.18 1.53 0.44 -0.31 0.00 0.00 175.10 176.63 2wvx h ASP 414 N -0.75 0.91 -3.42 4.85 3.32 -1.97 -3.39 116.42 115.97 2wvx h ASP 414 Ca -0.46 -0.39 -0.79 0.00 0.02 0.00 0.00 57.03 55.41 2wvx h ASP 414 Cb 1.27 -0.25 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 2wvx h ASP 414 CO 0.49 1.16 0.53 -0.62 -1.72 0.00 0.00 179.24 179.07 2wvx s ASP 415 N -6.81 7.24 0.27 6.45 -1.08 -1.26 -4.81 116.67 116.66 2wvx s ASP 415 Ca -0.10 -3.42 0.03 0.00 -0.52 0.00 0.00 52.55 48.54 2wvx s ASP 415 Cb 0.12 -2.23 0.38 0.00 -1.46 0.00 0.00 42.92 39.72 2wvx s ASP 415 CO 0.86 -0.38 1.67 0.40 0.52 0.00 0.00 175.17 178.25 2wvx h ILE 416 N 3.91 1.30 -0.13 4.11 2.04 -2.00 -1.58 117.51 125.16 2wvx h ILE 416 Ca 0.19 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.61 2wvx h ILE 416 Cb 0.89 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 2wvx h ILE 416 CO 1.02 0.45 -0.10 0.50 0.00 0.00 0.00 178.15 180.02 2wvx h LYS 417 N 0.33 -0.11 -0.38 2.37 3.64 -1.97 -2.10 116.57 118.35 2wvx h LYS 417 Ca 0.04 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2wvx h LYS 417 Cb 0.80 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2wvx h LYS 417 CO 0.06 -0.07 -0.28 1.15 -2.27 0.00 0.00 179.45 178.05 2wvx h THR 418 N -0.11 1.28 -0.17 1.00 2.02 -1.91 -2.16 112.91 112.85 2wvx h THR 418 Ca 0.08 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 65.90 2wvx h THR 418 Cb 0.23 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 2wvx h THR 418 CO -0.20 0.47 -0.19 0.25 0.37 0.00 0.00 175.52 176.22 2wvx h LEU 419 N 0.69 -0.60 -0.54 2.58 7.12 -1.08 0.02 115.31 123.50 2wvx h LEU 419 Ca 0.08 0.11 -0.13 0.00 0.13 0.00 0.00 57.88 58.08 2wvx h LEU 419 Cb 0.81 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 2wvx h LEU 419 CO 0.07 -0.24 -0.18 0.22 -0.13 0.00 0.00 178.44 178.18 2wvx h TYR 420 N -0.22 1.12 -0.67 1.25 3.20 -1.29 -1.45 116.97 118.92 2wvx h TYR 420 Ca 0.11 -0.26 0.04 0.00 3.14 0.00 0.00 58.73 61.76 2wvx h TYR 420 Cb 0.39 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2wvx h TYR 420 CO -0.32 1.08 0.41 0.93 -1.64 0.00 0.00 178.16 178.61 2wvx h GLU 421 N 0.86 0.76 -0.34 1.82 5.08 -1.04 -1.93 114.58 119.79 2wvx h GLU 421 Ca 0.12 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2wvx h GLU 421 Cb 0.76 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2wvx h GLU 421 CO 0.06 0.50 -0.16 0.78 -1.00 0.00 0.00 179.01 179.19 2wvx h GLY 422 N 0.78 0.67 0.87 -3.84 0.00 -0.66 -0.15 103.07 100.74 2wvx h GLY 422 Ca 0.28 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2wvx h GLY 422 CO -0.12 0.47 -0.02 1.41 0.00 0.00 0.00 176.54 178.27 2wvx h LEU 423 N 0.56 -0.06 -1.01 3.11 3.38 -0.95 -2.12 115.31 118.22 2wvx h LEU 423 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wvx h LEU 423 Cb 0.60 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2wvx h LEU 423 CO 0.04 0.09 0.57 0.40 0.09 0.00 0.00 178.44 179.63 2wvx h ILE 424 N -0.20 1.25 -0.79 1.22 1.08 -1.14 -1.96 117.51 116.97 2wvx h ILE 424 Ca -0.01 -0.52 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 2wvx h ILE 424 Cb 0.18 -0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.81 2wvx h ILE 424 CO 0.01 0.26 0.51 -0.74 -0.69 0.00 0.00 178.15 177.50 2wvx h HIS 425 N 1.27 0.95 0.00 1.37 2.76 -0.87 -2.17 115.15 118.47 2wvx h HIS 425 Ca 0.33 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.50 2wvx h HIS 425 Cb -0.08 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.56 2wvx h HIS 425 CO 0.00 0.56 -0.14 0.78 -1.30 0.00 0.00 177.93 177.83 2wvx h GLY 426 N 1.00 0.00 2.00 5.26 0.00 -0.66 -2.74 103.07 107.93 2wvx h GLY 426 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wvx h GLY 426 CO -0.10 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.53 2wvx h THR 427 N 0.00 0.00 0.00 4.70 1.35 -1.22 -3.17 112.91 114.57 2wvx h THR 427 Ca -0.00 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 2wvx h THR 427 Cb 0.28 1.19 -0.05 0.00 -1.73 0.00 0.00 68.15 67.84 2wvx h THR 427 CO 0.02 0.00 -0.46 -1.84 -0.25 0.00 0.00 175.52 172.99 2wvx n GLU 428 N -2.53 0.37 -3.88 4.72 0.28 -1.04 -4.93 120.64 113.63 2wvx n GLU 428 Ca 0.02 -1.62 -0.11 0.00 -0.16 0.00 0.00 57.16 55.29 2wvx n GLU 428 Cb 0.27 -0.72 -0.10 0.00 1.43 0.00 0.00 31.44 32.33 2wvx n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2wvx s ASN 429 N -1.68 0.05 -0.03 -1.84 0.01 -1.16 -5.02 114.94 105.27 2wvx s ASN 429 Ca 0.14 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.04 2wvx s ASN 429 Cb 0.14 0.22 -0.01 0.00 0.41 0.00 0.00 41.25 42.01 2wvx s ASN 429 CO -0.02 -0.43 -0.17 0.54 -1.51 0.00 0.00 177.10 175.52 2wvx s VAL 430 N -1.79 1.35 0.21 1.60 0.11 -1.26 -0.91 120.40 119.71 2wvx s VAL 430 Ca -0.12 -0.70 -0.32 0.00 -2.93 0.00 0.00 61.98 57.92 2wvx s VAL 430 Cb -0.05 -1.15 -0.13 0.00 -1.53 0.00 0.00 36.38 33.51 2wvx s VAL 430 CO -0.00 0.39 1.51 1.57 -3.33 0.00 0.00 175.10 175.23 2wvx n HIS 431 N 2.96 2.29 0.38 1.54 -0.00 0.11 -4.88 115.22 117.61 2wvx n HIS 431 Ca -0.17 0.33 0.13 0.00 0.46 0.00 0.00 57.72 58.48 2wvx n HIS 431 Cb 0.53 -2.52 0.53 0.00 -0.12 0.00 0.00 29.99 28.42 2wvx n HIS 431 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2wvx h PRO 432 N 5.11 0.00 0.00 1.57 0.13 -1.99 -3.18 132.00 133.64 2wvx h PRO 432 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wvx h PRO 432 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2wvx h PRO 432 CO 0.83 0.00 -0.36 0.39 -0.23 0.00 0.00 178.00 178.63 2wvx n GLU 433 N -2.44 4.74 -3.73 0.86 4.71 -1.26 -4.92 120.64 118.60 2wvx n GLU 433 Ca 0.02 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.16 56.86 2wvx n GLU 433 Cb 0.25 -0.75 -0.15 0.00 -1.01 0.00 0.00 31.44 29.79 2wvx n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2wvx s VAL 434 N -1.51 0.91 -0.34 2.62 1.01 -1.20 -4.94 120.40 116.95 2wvx s VAL 434 Ca 0.01 -1.49 0.26 0.00 0.00 0.00 0.00 61.98 60.75 2wvx s VAL 434 Cb 0.03 -1.69 0.28 0.00 0.00 0.00 0.00 36.38 34.99 2wvx s VAL 434 CO 0.15 -0.70 1.77 0.77 0.00 0.00 0.00 175.10 177.09 2wvx h SER 435 N 7.97 0.00 -0.10 3.32 4.64 -1.92 -1.46 113.55 126.00 2wvx h SER 435 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2wvx h SER 435 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2wvx h SER 435 CO 0.47 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.89 2wvx n SER 436 N -2.41 1.69 -4.59 4.97 3.41 -1.26 -4.01 113.62 111.43 2wvx n SER 436 Ca 0.02 -1.63 -0.34 0.00 -0.26 0.00 0.00 58.87 56.65 2wvx n SER 436 Cb 0.23 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 2wvx n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wvx s THR 437 N -1.88 4.41 0.00 6.66 2.01 -0.55 -4.57 115.64 121.72 2wvx s THR 437 Ca 0.35 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2wvx s THR 437 Cb 0.19 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.75 2wvx s THR 437 CO 0.30 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 2wvx n GLY 438 N 3.41 -1.33 3.08 4.40 0.00 -1.26 -0.72 105.19 112.78 2wvx n GLY 438 Ca -0.17 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2wvx n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wvx s ARG 439 N 0.00 2.16 0.27 1.61 0.52 -0.08 -4.74 118.95 118.69 2wvx s ARG 439 Ca 0.00 -2.18 -0.30 0.00 -0.52 0.00 0.00 55.73 52.73 2wvx s ARG 439 Cb 0.00 -3.57 -0.12 0.00 0.52 0.00 0.00 34.95 31.77 2wvx s ARG 439 CO 0.00 -1.10 1.55 -0.11 0.02 0.00 0.00 175.30 175.66 2wvx n LEU 440 N 3.99 3.99 0.00 2.53 7.94 -1.26 -2.39 117.00 131.81 2wvx n LEU 440 Ca 0.03 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2wvx n LEU 440 Cb 0.39 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.79 2wvx n LEU 440 CO 0.32 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 2wvx n GLY 441 N 2.24 0.50 0.35 -3.96 0.00 -1.26 -4.94 105.19 98.11 2wvx n GLY 441 Ca 0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2wvx n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wvx h TYR 442 N 0.00 0.76 -0.57 1.61 -0.00 -1.83 -1.32 116.97 115.62 2wvx h TYR 442 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2wvx h TYR 442 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 36.73 36.45 2wvx h TYR 442 CO 0.00 0.41 0.34 0.93 -0.00 0.00 0.00 178.16 179.83 2wvx h GLU 443 N 0.75 0.77 -0.25 0.10 3.07 -1.92 0.34 114.58 117.45 2wvx h GLU 443 Ca 0.30 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 2wvx h GLU 443 Cb 0.23 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2wvx h GLU 443 CO -0.10 0.56 0.03 1.88 -1.40 0.00 0.00 179.01 179.98 2wvx h TYR 444 N 0.76 0.45 -0.43 4.33 0.05 -1.69 -2.51 116.97 117.94 2wvx h TYR 444 Ca 0.20 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 2wvx h TYR 444 Cb -0.01 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2wvx h TYR 444 CO -0.02 0.55 0.14 -0.92 -1.05 0.00 0.00 178.16 176.86 2wvx h TYR 445 N 0.22 0.68 -0.15 4.88 3.20 -0.76 0.92 116.97 125.97 2wvx h TYR 445 Ca 0.08 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2wvx h TYR 445 Cb 0.35 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2wvx h TYR 445 CO 0.02 0.62 -0.15 -0.91 -1.64 0.00 0.00 178.16 176.10 2wvx h ASN 446 N 0.55 0.23 0.08 -2.11 -0.26 -0.37 0.11 115.58 113.80 2wvx h ASN 446 Ca 0.14 -0.05 -0.31 0.00 -0.56 0.00 0.00 56.30 55.51 2wvx h ASN 446 Cb 0.25 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 2wvx h ASN 446 CO -0.01 0.40 -1.71 0.50 -1.06 0.00 0.00 177.43 175.55 2wvx h LYS 447 N 0.22 0.17 0.00 0.81 3.64 -0.95 -3.41 116.57 117.06 2wvx h LYS 447 Ca 0.04 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.00 2wvx h LYS 447 Cb 0.40 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2wvx h LYS 447 CO 0.02 1.14 -2.02 1.28 -2.27 0.00 0.00 179.45 177.61 2wvx n LEU 448 N -3.85 0.12 0.00 5.20 4.77 0.32 -4.98 117.00 118.57 2wvx n LEU 448 Ca -0.32 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2wvx n LEU 448 Cb 0.91 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 2wvx n LEU 448 CO 0.34 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2wvx n GLY 449 N 1.42 0.75 3.50 -0.72 0.00 0.39 -5.02 105.19 105.52 2wvx n GLY 449 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2wvx n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvx s TYR 450 N -2.11 -0.47 -0.18 1.61 1.13 -1.25 -4.73 117.35 111.36 2wvx s TYR 450 Ca 0.00 0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 55.95 2wvx s TYR 450 Cb 0.00 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 2wvx s TYR 450 CO 0.00 -0.58 0.82 0.08 -2.51 0.00 0.00 175.55 173.36 2wvx s VAL 451 N -2.37 4.88 0.76 -3.49 1.01 -1.26 -3.57 120.40 116.36 2wvx s VAL 451 Ca -0.01 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 2wvx s VAL 451 Cb -0.01 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2wvx s VAL 451 CO -0.03 0.02 1.12 -2.84 0.00 0.00 0.00 175.10 173.36 2wvx s PRO 452 N 2.25 2.23 0.18 2.72 0.02 -1.26 -4.49 135.00 136.64 2wvx s PRO 452 Ca 0.37 1.35 0.26 0.00 0.02 0.00 0.00 61.00 63.00 2wvx s PRO 452 Cb -0.16 -1.88 0.76 0.00 0.02 0.00 0.00 34.50 33.24 2wvx s PRO 452 CO 0.11 -1.69 1.71 0.98 -0.33 0.00 0.00 177.00 177.78 2wvx n TYR 453 N -3.22 0.79 -2.24 6.54 4.19 0.20 -4.22 117.16 119.20 2wvx n TYR 453 Ca 0.10 0.23 -0.14 0.00 3.31 0.00 0.00 57.90 61.40 2wvx n TYR 453 Cb 0.52 -0.85 0.04 0.00 0.49 0.00 0.00 39.34 39.54 2wvx n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2wvx n ASP 454 N -2.17 3.65 -0.57 2.98 5.75 -1.26 -4.70 116.55 120.23 2wvx n ASP 454 Ca 0.05 -3.22 0.06 0.00 -0.01 0.00 0.00 54.79 51.67 2wvx n ASP 454 Cb 0.42 -0.39 0.15 0.00 -1.03 0.00 0.00 41.12 40.27 2wvx n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2wvx n VAL 455 N -0.67 1.63 -2.26 2.12 0.24 -1.26 -4.87 118.33 113.25 2wvx n VAL 455 Ca 0.31 -2.38 -0.16 0.00 -2.04 0.00 0.00 64.34 60.06 2wvx n VAL 455 Cb 0.91 -0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.26 2wvx n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wvx n LYS 456 N -0.89 -1.29 -3.96 7.34 4.01 -1.26 -4.97 118.16 117.14 2wvx n LYS 456 Ca 0.15 0.80 -0.32 0.00 -0.51 0.00 0.00 58.31 58.43 2wvx n LYS 456 Cb 0.74 -5.20 -0.14 0.00 -0.51 0.00 0.00 35.03 29.92 2wvx n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2wvx s ILE 457 N -2.80 2.54 0.90 -0.18 1.01 -1.26 -5.11 121.20 116.30 2wvx s ILE 457 Ca 0.00 -2.41 -0.11 0.00 0.00 0.00 0.00 60.65 58.13 2wvx s ILE 457 Cb 0.00 -2.83 0.13 0.00 0.01 0.00 0.00 42.46 39.77 2wvx s ILE 457 CO 0.00 -0.65 1.09 0.20 0.00 0.00 0.00 174.94 175.59 2wvx s ASN 458 N 0.95 3.32 -1.60 3.58 0.01 -1.26 -3.47 114.94 116.47 2wvx s ASN 458 Ca 0.11 1.66 -0.01 0.00 -0.71 0.00 0.00 52.86 53.91 2wvx s ASN 458 Cb -0.20 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2wvx s ASN 458 CO -0.06 -2.76 0.16 -0.62 -1.51 0.00 0.00 177.10 172.30 2wvx n GLU 459 N -3.98 -2.56 -0.12 -0.60 4.71 0.32 -4.89 120.64 113.52 2wvx n GLU 459 Ca 0.08 0.90 -0.05 0.00 -0.01 0.00 0.00 57.16 58.08 2wvx n GLU 459 Cb 0.54 -5.60 0.15 0.00 -1.01 0.00 0.00 31.44 25.51 2wvx n GLU 459 CO 0.00 0.00 0.00 -2.95 0.09 0.00 0.00 177.13 174.27 2wvx h ASN 460 N -0.35 0.80 -0.16 1.62 -1.07 -1.37 -1.43 115.58 113.62 2wvx h ASN 460 Ca -0.47 -0.19 -0.21 0.00 0.07 0.00 0.00 56.30 55.50 2wvx h ASN 460 Cb 1.34 -0.21 0.01 0.00 -2.07 0.00 0.00 38.32 37.39 2wvx h ASN 460 CO 0.54 0.86 -0.73 0.00 0.07 0.00 0.00 177.43 178.16 2wvx h ALA 461 N 1.23 0.30 -0.64 4.14 0.00 -1.34 -2.28 119.26 120.67 2wvx h ALA 461 Ca 0.15 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2wvx h ALA 461 Cb 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2wvx h ALA 461 CO 0.02 0.64 0.36 0.00 0.00 0.00 0.00 179.25 180.28 2wvx h ALA 462 N 0.55 0.84 -0.62 0.00 0.00 -1.12 -2.00 119.26 116.90 2wvx h ALA 462 Ca -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2wvx h ALA 462 Cb 1.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2wvx h ALA 462 CO 0.15 0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.65 2wvx h ARG 463 N 0.69 0.98 -0.22 0.00 3.08 -1.23 -2.12 114.38 115.56 2wvx h ARG 463 Ca 0.27 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wvx h ARG 463 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wvx h ARG 463 CO -0.15 0.87 0.14 1.15 -1.07 0.00 0.00 179.97 180.90 2wvx h THR 464 N 0.90 1.08 -0.25 2.04 2.02 -1.13 -0.22 112.91 117.34 2wvx h THR 464 Ca 0.20 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2wvx h THR 464 Cb 0.31 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2wvx h THR 464 CO -0.00 0.07 0.06 -0.07 0.37 0.00 0.00 175.52 175.95 2wvx h LEU 465 N 0.27 0.38 -0.44 2.58 3.38 -1.21 -2.13 115.31 118.14 2wvx h LEU 465 Ca 0.08 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2wvx h LEU 465 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2wvx h LEU 465 CO -0.02 0.52 -0.26 -0.33 0.09 0.00 0.00 178.44 178.44 2wvx h GLU 466 N 0.22 0.96 -0.93 1.13 5.08 -1.30 -2.70 114.58 117.04 2wvx h GLU 466 Ca 0.08 -0.44 0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2wvx h GLU 466 Cb 0.29 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 2wvx h GLU 466 CO 0.00 1.11 0.54 1.88 -1.00 0.00 0.00 179.01 181.54 2wvx h TYR 467 N 0.80 0.96 -0.30 4.33 0.05 -0.96 0.40 116.97 122.24 2wvx h TYR 467 Ca 0.09 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 2wvx h TYR 467 Cb 0.84 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2wvx h TYR 467 CO 0.06 0.27 -0.04 0.00 -1.05 0.00 0.00 178.16 177.40 2wvx h ALA 468 N 1.57 0.41 -0.51 3.88 0.00 -1.09 0.49 119.26 124.01 2wvx h ALA 468 Ca 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wvx h ALA 468 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wvx h ALA 468 CO -0.34 0.21 0.29 -0.92 0.00 0.00 0.00 179.25 178.49 2wvx h TYR 469 N 0.34 0.70 -1.00 0.00 3.20 -1.14 -1.24 116.97 117.83 2wvx h TYR 469 Ca 0.08 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2wvx h TYR 469 Cb 0.51 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 2wvx h TYR 469 CO 0.04 0.50 0.65 -0.44 -1.64 0.00 0.00 178.16 177.28 2wvx h ASP 470 N 0.69 1.03 -0.10 -2.11 3.32 0.40 -1.34 116.42 118.31 2wvx h ASP 470 Ca 0.18 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2wvx h ASP 470 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2wvx h ASP 470 CO -0.03 0.66 -0.34 0.44 -1.72 0.00 0.00 179.24 178.25 2wvx h ASP 471 N 1.17 0.61 -0.61 6.45 3.32 0.32 -1.83 116.42 125.84 2wvx h ASP 471 Ca 0.43 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2wvx h ASP 471 Cb 0.18 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2wvx h ASP 471 CO -0.17 0.90 0.40 -0.25 -1.72 0.00 0.00 179.24 178.40 2wvx h TRP 472 N 0.50 0.78 -0.19 4.55 7.01 -0.24 0.04 115.95 128.40 2wvx h TRP 472 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2wvx h TRP 472 Cb 0.82 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2wvx h TRP 472 CO 0.03 0.49 0.04 0.00 -2.79 0.00 0.00 178.44 176.22 2wvx h ILE 474 N 0.11 1.15 -0.52 0.00 2.04 -1.01 -1.72 117.51 117.56 2wvx h ILE 474 Ca 0.06 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.62 2wvx h ILE 474 Cb 0.27 -0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 2wvx h ILE 474 CO 0.00 0.21 0.11 0.22 0.00 0.00 0.00 178.15 178.68 2wvx h TYR 475 N 1.14 0.17 -0.49 1.37 5.03 -0.73 0.66 116.97 124.11 2wvx h TYR 475 Ca 0.36 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.74 2wvx h TYR 475 Cb 0.01 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 2wvx h TYR 475 CO -0.01 -0.01 0.27 0.00 -1.32 0.00 0.00 178.16 177.08 2wvx h ARG 476 N 0.24 0.51 -0.26 1.82 2.47 -0.38 -0.34 114.38 118.44 2wvx h ARG 476 Ca 0.27 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.80 2wvx h ARG 476 Cb 0.37 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2wvx h ARG 476 CO -0.35 0.34 -0.45 1.25 0.56 0.00 0.00 179.97 181.32 2wvx h LEU 477 N 0.53 0.85 -0.67 3.04 5.85 -0.56 -1.54 115.31 122.80 2wvx h LEU 477 Ca 0.21 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.48 2wvx h LEU 477 Cb 0.08 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2wvx h LEU 477 CO -0.13 1.22 0.35 0.00 -0.34 0.00 0.00 178.44 179.54 2wvx h ALA 478 N 0.66 0.90 -0.45 1.25 0.00 0.57 0.17 119.26 122.37 2wvx h ALA 478 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wvx h ALA 478 Cb 1.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2wvx h ALA 478 CO 0.10 -0.01 0.15 -0.22 0.00 0.00 0.00 179.25 179.27 2wvx h LYS 479 N 0.62 0.69 -0.65 0.00 3.64 -0.97 -1.08 116.57 118.82 2wvx h LYS 479 Ca 0.31 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2wvx h LYS 479 Cb 0.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2wvx h LYS 479 CO -0.22 0.66 0.11 1.49 -2.27 0.00 0.00 179.45 179.22 2wvx h GLU 480 N 0.58 1.07 -0.00 1.90 4.57 -0.51 -1.63 114.58 120.56 2wvx h GLU 480 Ca 0.14 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2wvx h GLU 480 Cb 0.25 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2wvx h GLU 480 CO -0.01 0.97 -0.00 1.28 -1.18 0.00 0.00 179.01 180.07 2wvx n LEU 481 N -4.22 0.02 -2.74 1.64 4.32 0.52 -4.91 117.00 111.64 2wvx n LEU 481 Ca 0.04 0.14 -0.19 0.00 -0.02 0.00 0.00 56.01 55.98 2wvx n LEU 481 Cb 0.28 -0.15 0.04 0.00 -1.62 0.00 0.00 43.42 41.97 2wvx n LEU 481 CO 0.43 0.00 0.07 1.17 -1.22 0.00 0.00 177.39 177.84 2wvx n LYS 482 N -1.14 -4.95 -0.63 3.23 3.00 -0.61 -4.98 118.16 112.08 2wvx n LYS 482 Ca 0.19 0.75 -0.28 0.00 -0.00 0.00 0.00 58.31 58.96 2wvx n LYS 482 Cb 0.18 -5.34 0.24 0.00 0.00 0.00 0.00 35.03 30.12 2wvx n LYS 482 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2wvx s ARG 483 N -5.70 -0.81 0.55 1.64 1.81 -0.50 -4.93 118.95 111.01 2wvx s ARG 483 Ca 0.33 0.78 -0.21 0.00 -1.72 0.00 0.00 55.73 54.91 2wvx s ARG 483 Cb -0.15 -1.57 -0.05 0.00 -0.45 0.00 0.00 34.95 32.73 2wvx s ARG 483 CO 0.41 -3.64 1.24 -2.30 -0.68 0.00 0.00 175.30 170.33 2wvx n PRO 484 N -4.85 1.46 -0.19 3.54 -0.02 -1.26 -4.78 135.00 128.90 2wvx n PRO 484 Ca 0.03 0.54 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 2wvx n PRO 484 Cb 0.55 -2.43 0.59 0.00 -0.02 0.00 0.00 33.50 32.18 2wvx n PRO 484 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wvx h LYS 485 N 1.19 0.24 -0.41 -0.52 6.56 -1.99 -1.50 116.57 120.14 2wvx h LYS 485 Ca -0.50 -0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 58.95 2wvx h LYS 485 Cb 1.32 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2wvx h LYS 485 CO 0.55 0.16 -0.26 -0.22 -2.06 0.00 0.00 179.45 177.63 2wvx h LYS 486 N 0.25 0.85 -0.30 3.15 3.64 -1.99 -0.55 116.57 121.61 2wvx h LYS 486 Ca 0.42 -0.37 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 2wvx h LYS 486 Cb 1.28 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2wvx h LYS 486 CO -0.11 1.01 -0.52 0.93 -2.27 0.00 0.00 179.45 178.49 2wvx h GLU 487 N 0.73 0.87 -0.48 1.90 5.08 -1.64 -2.12 114.58 118.92 2wvx h GLU 487 Ca 0.09 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2wvx h GLU 487 Cb 0.80 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2wvx h GLU 487 CO 0.07 1.17 0.20 0.82 -1.00 0.00 0.00 179.01 180.27 2wvx h ILE 488 N 0.67 1.21 -0.78 3.13 2.04 -1.23 -2.60 117.51 119.94 2wvx h ILE 488 Ca 0.02 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2wvx h ILE 488 Cb 1.13 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2wvx h ILE 488 CO 0.12 0.24 0.36 0.28 0.00 0.00 0.00 178.15 179.15 2wvx h SER 489 N 0.64 1.03 -0.25 1.72 0.02 -1.09 -1.40 113.55 114.22 2wvx h SER 489 Ca 0.16 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2wvx h SER 489 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2wvx h SER 489 CO -0.01 0.89 0.09 0.25 -1.14 0.00 0.00 176.83 176.90 2wvx h LEU 490 N 1.11 0.11 -0.57 5.07 5.85 -1.18 0.02 115.31 125.71 2wvx h LEU 490 Ca 0.27 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 2wvx h LEU 490 Cb 0.14 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2wvx h LEU 490 CO -0.03 0.10 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.20 2wvx h PHE 491 N 0.21 0.11 -0.83 1.25 0.04 -1.33 -1.13 116.94 115.26 2wvx h PHE 491 Ca 0.11 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2wvx h PHE 491 Cb 0.07 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 2wvx h PHE 491 CO -0.12 0.75 0.42 0.00 -0.60 0.00 0.00 178.31 178.76 2wvx h ALA 492 N 1.23 1.17 -0.05 2.45 0.00 -0.92 0.49 119.26 123.63 2wvx h ALA 492 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wvx h ALA 492 Cb 1.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wvx h ALA 492 CO 0.10 0.64 0.01 -0.22 0.00 0.00 0.00 179.25 179.78 2wvx h LYS 493 N 1.18 0.08 -0.46 0.00 1.63 -0.74 -3.19 116.57 115.06 2wvx h LYS 493 Ca 0.29 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 2wvx h LYS 493 Cb 0.09 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 2wvx h LYS 493 CO -0.04 0.32 0.19 0.00 -3.45 0.00 0.00 179.45 176.48 2wvx h ARG 494 N -0.18 0.66 -2.00 1.90 3.08 -0.96 -3.31 114.38 113.57 2wvx h ARG 494 Ca 0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wvx h ARG 494 Cb 0.28 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wvx h ARG 494 CO 0.00 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 2wvx n ALA 495 N -2.46 1.02 0.00 0.04 0.00 0.14 -4.60 120.51 114.64 2wvx n ALA 495 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wvx n ALA 495 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2wvx n ALA 495 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wvx n ASN 497 N 1.68 0.00 0.14 0.00 3.02 -1.25 -4.65 115.26 114.21 2wvx n ASN 497 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 2wvx n ASN 497 Cb 0.00 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 39.87 2wvx n ASN 497 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wvx h TYR 498 N 0.00 0.00 -0.10 3.10 -0.00 -1.85 -0.13 116.97 117.99 2wvx h TYR 498 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 2wvx h TYR 498 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2wvx h TYR 498 CO 0.00 0.00 0.08 0.87 -0.00 0.00 0.00 178.16 179.11 2wvx h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.94 -2.80 116.57 113.50 2wvx h LYS 499 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2wvx h LYS 499 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2wvx h LYS 499 CO -0.00 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 177.97 2wvx h ASN 500 N 0.00 0.00 -0.29 0.86 2.35 -1.30 -2.77 115.58 114.43 2wvx h ASN 500 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2wvx h ASN 500 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wvx h ASN 500 CO -0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 2wvx n LEU 501 N -2.45 2.77 -4.65 1.61 4.77 -1.06 -4.97 117.00 113.02 2wvx n LEU 501 Ca 0.02 -1.74 -0.42 0.00 -0.03 0.00 0.00 56.01 53.84 2wvx n LEU 501 Cb 0.24 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2wvx n LEU 501 CO 0.21 0.66 0.74 0.12 -1.33 0.00 0.00 177.39 177.79 2wvx s PHE 502 N -1.01 3.31 -0.48 -1.77 5.36 -1.05 -0.84 117.98 121.50 2wvx s PHE 502 Ca 0.23 1.23 -0.20 0.00 -0.96 0.00 0.00 56.93 57.23 2wvx s PHE 502 Cb 0.13 -3.15 0.04 0.00 -0.34 0.00 0.00 43.02 39.70 2wvx s PHE 502 CO 0.17 -0.44 0.62 0.34 -1.46 0.00 0.00 175.22 174.45 2wvx s ASP 503 N 1.31 6.25 0.41 6.13 2.15 0.71 -4.95 116.67 128.69 2wvx s ASP 503 Ca 0.38 -0.69 0.12 0.00 0.43 0.00 0.00 52.55 52.78 2wvx s ASP 503 Cb -0.15 -2.30 0.95 0.00 -0.30 0.00 0.00 42.92 41.12 2wvx s ASP 503 CO 0.07 -0.84 1.95 0.07 -0.17 0.00 0.00 175.17 176.26 2wvx h LYS 504 N 8.94 0.50 -0.27 4.34 2.10 -1.95 0.45 116.57 130.69 2wvx h LYS 504 Ca -0.27 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.18 2wvx h LYS 504 Cb 1.10 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2wvx h LYS 504 CO 0.93 0.33 -0.49 1.05 -2.00 0.00 0.00 179.45 179.27 2wvx h GLU 505 N 0.51 0.80 0.00 0.07 9.09 -1.95 -3.28 114.58 119.82 2wvx h GLU 505 Ca 0.32 -0.51 0.00 0.00 0.05 0.00 0.00 59.36 59.22 2wvx h GLU 505 Cb 0.55 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 2wvx h GLU 505 CO -0.10 1.14 -1.35 -1.13 0.05 0.00 0.00 179.01 177.61 2wvx n SER 506 N -4.09 0.49 -2.00 3.06 3.41 -1.01 -4.96 113.62 108.53 2wvx n SER 506 Ca -0.05 0.02 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 2wvx n SER 506 Cb 0.59 1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 65.63 2wvx n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wvx n LYS 507 N -2.30 -1.43 0.00 4.33 5.02 0.15 -5.06 118.16 118.88 2wvx n LYS 507 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2wvx n LYS 507 Cb 0.52 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 2wvx n LYS 507 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wvx n LEU 508 N -2.55 0.00 0.00 -0.35 4.77 -1.19 -4.92 117.00 112.76 2wvx n LEU 508 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2wvx n LEU 508 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2wvx n LEU 508 CO 0.25 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.17 2wvx n ARG 510 N 0.00 0.00 -1.64 3.23 0.63 -0.02 -0.21 116.66 118.65 2wvx n ARG 510 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2wvx n ARG 510 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 2wvx n ARG 510 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wvx n GLY 511 N -0.53 0.01 3.06 5.14 0.00 -1.26 -4.77 105.19 106.84 2wvx n GLY 511 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2wvx n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wvx s ARG 512 N -2.19 2.06 0.74 1.61 3.52 -1.26 -1.05 118.95 122.39 2wvx s ARG 512 Ca 0.64 -0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 2wvx s ARG 512 Cb -0.52 -1.70 0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2wvx s ARG 512 CO 0.56 0.01 1.12 -0.80 -0.81 0.00 0.00 175.30 175.38 2wvx s ASN 513 N 0.75 4.50 0.30 -2.12 0.01 0.77 0.59 114.94 119.73 2wvx s ASN 513 Ca -0.12 1.98 0.04 0.00 -0.71 0.00 0.00 52.86 54.05 2wvx s ASN 513 Cb -0.16 -2.54 0.64 0.00 0.41 0.00 0.00 41.25 39.60 2wvx s ASN 513 CO 0.03 -2.04 1.82 -0.08 -1.51 0.00 0.00 177.10 175.31 2wvx h GLU 514 N -0.72 0.87 0.00 -0.60 4.81 -1.89 -0.19 114.58 116.86 2wvx h GLU 514 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2wvx h GLU 514 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2wvx h GLU 514 CO 0.51 0.58 0.00 -0.40 -0.73 0.00 0.00 179.01 178.96 2wvx n ASP 515 N -4.66 0.00 0.00 1.04 5.68 -1.26 -4.87 116.55 112.48 2wvx n ASP 515 Ca 0.20 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 2wvx n ASP 515 Cb 0.44 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2wvx n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wvx n GLY 516 N 0.23 0.48 3.82 6.12 0.00 -0.08 -5.07 105.19 110.68 2wvx n GLY 516 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2wvx n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvx s THR 517 N -2.09 4.41 0.46 2.61 -4.23 -1.26 -4.77 115.64 110.77 2wvx s THR 517 Ca 0.00 1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 61.72 2wvx s THR 517 Cb 0.00 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 2wvx s THR 517 CO 0.00 -0.38 1.13 -0.36 -0.54 0.00 0.00 174.62 174.46 2wvx s PHE 518 N -2.26 2.94 0.32 3.99 0.08 -1.26 -0.17 117.98 121.62 2wvx s PHE 518 Ca 0.62 1.56 -0.28 0.00 0.12 0.00 0.00 56.93 58.94 2wvx s PHE 518 Cb -0.09 -3.29 -0.10 0.00 -0.57 0.00 0.00 43.02 38.97 2wvx s PHE 518 CO 0.16 -1.28 1.17 1.14 -0.10 0.00 0.00 175.22 176.32 2wvx s GLN 519 N -2.77 4.45 0.05 0.44 1.03 -0.21 -4.76 119.66 117.90 2wvx s GLN 519 Ca 0.64 1.93 0.04 0.00 0.04 0.00 0.00 55.36 58.01 2wvx s GLN 519 Cb -0.26 -3.06 -0.03 0.00 0.03 0.00 0.00 33.01 29.70 2wvx s GLN 519 CO 0.31 -0.00 -0.12 -1.12 -2.54 0.00 0.00 175.29 171.82 2wvx s SER 520 N -0.81 1.36 0.37 12.60 0.01 -1.26 -3.98 113.70 121.99 2wvx s SER 520 Ca 0.48 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 2wvx s SER 520 Cb -0.34 -0.03 -0.09 0.00 0.21 0.00 0.00 66.02 65.77 2wvx s SER 520 CO 0.44 -0.09 1.06 -2.16 0.41 0.00 0.00 173.24 172.90 2wvx s PRO 521 N -1.51 4.26 -0.22 12.44 0.04 -1.26 -5.13 135.00 143.61 2wvx s PRO 521 Ca -0.04 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 2wvx s PRO 521 Cb -0.09 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2wvx s PRO 521 CO 0.01 -0.07 0.41 0.12 0.04 0.00 0.00 177.00 177.52 2wvx s PHE 522 N -1.54 3.33 -0.42 0.56 5.36 -1.26 -5.04 117.98 118.99 2wvx s PHE 522 Ca 0.55 0.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.14 2wvx s PHE 522 Cb -0.24 -2.57 0.11 0.00 -0.34 0.00 0.00 43.02 39.98 2wvx s PHE 522 CO 0.31 -0.09 0.14 0.45 -1.46 0.00 0.00 175.22 174.56 2wvx s SER 523 N 1.24 4.59 0.61 6.13 0.15 -1.26 -4.97 113.70 120.19 2wvx s SER 523 Ca 0.19 -2.51 0.34 0.00 0.70 0.00 0.00 55.95 54.66 2wvx s SER 523 Cb -0.15 -1.64 1.96 0.00 -1.71 0.00 0.00 66.02 64.48 2wvx s SER 523 CO 0.09 -0.32 2.25 1.55 1.20 0.00 0.00 173.24 178.00 2wvx h PRO 524 N 7.16 0.00 -0.01 5.44 0.13 -2.01 -1.34 132.00 141.36 2wvx h PRO 524 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wvx h PRO 524 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2wvx h PRO 524 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 2wvx n LEU 525 N -3.59 1.34 -4.67 1.56 4.77 -1.26 -2.42 117.00 112.73 2wvx n LEU 525 Ca -0.02 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 2wvx n LEU 525 Cb 0.13 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2wvx n LEU 525 CO 0.25 0.22 1.01 -0.75 -1.33 0.00 0.00 177.39 176.79 2wvx s LYS 526 N -2.00 4.28 0.35 3.23 2.20 -0.51 -1.64 119.74 125.66 2wvx s LYS 526 Ca 0.39 1.61 -0.24 0.00 -0.36 0.00 0.00 55.97 57.37 2wvx s LYS 526 Cb 0.21 -3.68 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 2wvx s LYS 526 CO 0.34 -0.61 0.93 -1.58 -0.36 0.00 0.00 175.35 174.07 2wvx s TRP 527 N 3.03 3.56 0.00 4.03 0.52 -0.85 -4.28 118.94 124.95 2wvx s TRP 527 Ca 0.53 1.70 0.00 0.00 0.02 0.00 0.00 56.10 58.35 2wvx s TRP 527 Cb -0.21 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 2wvx s TRP 527 CO 0.16 0.11 0.00 0.41 0.02 0.00 0.00 176.95 177.65 2wvx n GLY 528 N 0.16 -0.24 7.00 0.98 0.00 -0.34 -4.58 105.19 108.18 2wvx n GLY 528 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2wvx n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wvx n ASP 529 N -0.64 0.00 0.08 1.61 2.03 -1.26 -1.42 116.55 116.95 2wvx n ASP 529 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2wvx n ASP 529 Cb 0.00 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 40.86 2wvx n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wvx h ALA 530 N -0.68 1.71 -0.60 -1.67 0.00 -1.92 0.94 119.26 117.03 2wvx h ALA 530 Ca 0.00 -0.06 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 2wvx h ALA 530 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2wvx h ALA 530 CO 0.00 0.24 -0.35 -0.06 0.00 0.00 0.00 179.25 179.08 2wvx s PHE 531 N -5.24 1.74 0.01 0.00 0.08 -0.51 -1.10 117.98 112.97 2wvx s PHE 531 Ca -0.07 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.17 2wvx s PHE 531 Cb 0.17 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2wvx s PHE 531 CO 0.72 -0.31 -0.09 -0.08 -0.10 0.00 0.00 175.22 175.36 2wvx s THR 532 N -2.77 0.73 -1.26 0.64 -1.32 -1.26 -4.00 115.64 106.39 2wvx s THR 532 Ca 0.30 -0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 60.03 2wvx s THR 532 Cb -0.01 -0.65 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2wvx s THR 532 CO 0.18 0.06 0.61 1.21 -2.21 0.00 0.00 174.62 174.48 2wvx n GLU 533 N 2.47 -1.64 -0.52 7.08 2.13 -1.26 -4.79 120.64 124.11 2wvx n GLU 533 Ca -0.16 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2wvx n GLU 533 Cb 0.56 -3.89 0.00 0.00 0.27 0.00 0.00 31.44 28.38 2wvx n GLU 533 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wvx n GLY 534 N -1.91 0.55 0.25 8.31 0.00 -1.26 -4.78 105.19 106.35 2wvx n GLY 534 Ca -0.18 -1.86 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 2wvx n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wvx n ASN 535 N 3.00 1.92 0.00 1.61 0.23 -1.26 -1.20 115.26 119.56 2wvx n ASN 535 Ca 0.00 -1.16 -0.02 0.00 -0.53 0.00 0.00 54.58 52.87 2wvx n ASN 535 Cb 0.00 0.03 0.23 0.00 -2.08 0.00 0.00 39.78 37.97 2wvx n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2wvx h SER 536 N 0.09 0.50 0.04 0.53 0.87 -1.68 0.16 113.55 114.06 2wvx h SER 536 Ca -0.03 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2wvx h SER 536 Cb 0.09 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2wvx h SER 536 CO 0.05 0.68 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.51 2wvx h TRP 537 N 0.47 0.00 0.06 2.24 4.06 -1.96 0.53 115.95 121.35 2wvx h TRP 537 Ca 0.08 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.69 2wvx h TRP 537 Cb 0.54 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.66 2wvx h TRP 537 CO 0.02 0.01 -1.98 0.72 -3.56 0.00 0.00 178.44 173.64 2wvx n HIS 538 N -3.61 0.92 0.53 0.49 8.25 -0.08 -4.43 115.22 117.28 2wvx n HIS 538 Ca -0.03 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.79 2wvx n HIS 538 Cb 0.09 -1.14 0.07 0.00 1.12 0.00 0.00 29.99 30.13 2wvx n HIS 538 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wvx n TYR 539 N -3.24 0.41 0.26 4.41 9.36 -0.48 -4.09 117.16 123.79 2wvx n TYR 539 Ca -0.28 0.12 0.10 0.00 3.32 0.00 0.00 57.90 61.16 2wvx n TYR 539 Cb 1.05 -0.55 0.70 0.00 -0.63 0.00 0.00 39.34 39.91 2wvx n TYR 539 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2wvx h THR 540 N 0.00 0.85 0.00 2.97 2.02 -1.11 -2.03 112.91 115.61 2wvx h THR 540 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2wvx h THR 540 Cb 0.76 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2wvx h THR 540 CO 0.00 0.05 0.00 0.79 0.37 0.00 0.00 175.52 176.73 2wvx n TRP 541 N -4.22 0.00 -1.60 3.16 7.02 -1.26 -4.55 117.44 115.99 2wvx n TRP 541 Ca -0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.05 2wvx n TRP 541 Cb 0.13 -0.05 -0.01 0.00 -2.42 0.00 0.00 31.31 28.96 2wvx n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wvx n SER 542 N -1.05 6.17 -3.11 -0.99 7.64 -0.76 -4.44 113.62 117.08 2wvx n SER 542 Ca 0.21 -2.76 -0.22 0.00 1.01 0.00 0.00 58.87 57.11 2wvx n SER 542 Cb 0.13 -1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.69 2wvx n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wvx n VAL 543 N 4.20 1.09 -0.35 0.44 0.31 -1.26 -4.73 118.33 118.03 2wvx n VAL 543 Ca 0.63 -4.93 0.02 0.00 -0.01 0.00 0.00 64.34 60.04 2wvx n VAL 543 Cb 0.32 -0.91 0.16 0.00 -0.91 0.00 0.00 33.84 32.50 2wvx n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvx h PHE 544 N 3.14 1.14 0.00 3.52 -1.00 -1.88 -1.91 116.94 119.95 2wvx h PHE 544 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2wvx h PHE 544 Cb 0.78 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2wvx h PHE 544 CO 0.60 0.59 0.00 -2.39 -1.61 0.00 0.00 178.31 175.50 2wvx n HIS 545 N -4.53 0.55 -3.00 -0.55 1.44 -1.26 -4.49 115.22 103.37 2wvx n HIS 545 Ca 0.15 0.17 -0.15 0.00 -2.01 0.00 0.00 57.72 55.88 2wvx n HIS 545 Cb 0.18 -0.78 0.01 0.00 0.12 0.00 0.00 29.99 29.52 2wvx n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2wvx n ASP 546 N -1.96 -0.54 -0.27 4.39 2.03 -0.73 -0.55 116.55 118.92 2wvx n ASP 546 Ca 0.05 -3.24 -0.01 0.00 0.52 0.00 0.00 54.79 52.11 2wvx n ASP 546 Cb 0.35 0.41 0.18 0.00 -0.72 0.00 0.00 41.12 41.34 2wvx n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wvx h PRO 547 N 3.14 1.11 -0.93 -0.67 0.11 -1.76 -1.46 132.00 131.53 2wvx h PRO 547 Ca 0.01 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.05 2wvx h PRO 547 Cb 1.01 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 2wvx h PRO 547 CO 0.36 0.76 0.61 0.37 -0.21 0.00 0.00 178.00 179.89 2wvx h GLN 548 N 1.13 1.20 -0.94 1.05 5.75 -1.91 0.26 115.11 121.65 2wvx h GLN 548 Ca 0.30 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.76 2wvx h GLN 548 Cb -0.08 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.15 2wvx h GLN 548 CO -0.06 0.79 0.61 0.78 -2.65 0.00 0.00 178.83 178.31 2wvx h GLY 549 N 1.23 1.37 0.87 2.39 0.00 -1.68 0.11 103.07 107.35 2wvx h GLY 549 Ca 0.35 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2wvx h GLY 549 CO -0.08 0.41 -0.06 -2.00 0.00 0.00 0.00 176.54 174.81 2wvx h LEU 550 N 1.20 0.53 -0.44 3.11 5.85 -0.74 -1.33 115.31 123.49 2wvx h LEU 550 Ca 0.37 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2wvx h LEU 550 Cb -0.02 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 2wvx h LEU 550 CO -0.12 0.77 -0.18 0.40 -0.34 0.00 0.00 178.44 178.98 2wvx h ILE 551 N 0.29 0.44 -0.65 4.05 2.04 -0.22 -2.59 117.51 120.87 2wvx h ILE 551 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2wvx h ILE 551 Cb 0.53 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2wvx h ILE 551 CO 0.03 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.92 2wvx h ASP 552 N -0.08 0.85 0.00 1.72 3.32 -0.80 -1.58 116.42 119.85 2wvx h ASP 552 Ca 0.21 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wvx h ASP 552 Cb 0.41 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2wvx h ASP 552 CO -0.50 0.75 0.00 0.18 -1.72 0.00 0.00 179.24 177.95 2wvx n LEU 553 N -4.47 0.00 -0.10 1.55 4.77 -0.52 -4.30 117.00 113.93 2wvx n LEU 553 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wvx n LEU 553 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2wvx n LEU 553 CO 0.38 0.00 0.23 0.61 -1.33 0.00 0.00 177.39 177.28 2wvx n GLY 555 N 0.57 -1.96 0.00 -0.72 0.00 -0.92 -5.00 105.19 97.16 2wvx n GLY 555 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wvx n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 556 N 0.00 1.88 0.22 -0.02 0.00 -0.64 -4.86 105.19 101.77 2wvx n GLY 556 Ca 0.00 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.84 2wvx n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wvx h LYS 557 N 0.00 0.30 -0.41 1.61 2.10 -1.92 -1.74 116.57 116.51 2wvx h LYS 557 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2wvx h LYS 557 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2wvx h LYS 557 CO 0.00 0.54 0.00 0.39 -2.00 0.00 0.00 179.45 178.38 2wvx n GLU 558 N -4.14 0.32 0.00 0.07 4.71 -1.26 -1.71 120.64 118.62 2wvx n GLU 558 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2wvx n GLU 558 Cb 0.38 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 2wvx n GLU 558 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2wvx n PHE 560 N 0.38 0.00 -0.18 -0.32 -0.00 -0.65 -1.40 117.46 115.28 2wvx n PHE 560 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 2wvx n PHE 560 Cb 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.58 2wvx n PHE 560 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2wvx h VAL 561 N 0.00 1.22 0.00 -2.13 2.07 -1.60 -3.42 116.25 112.39 2wvx h VAL 561 Ca 0.00 -0.68 -0.29 0.00 0.82 0.00 0.00 66.70 66.55 2wvx h VAL 561 Cb 0.00 0.71 0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2wvx h VAL 561 CO 0.00 0.26 0.97 0.41 0.02 0.00 0.00 177.57 179.23 2wvx n THR 562 N -4.54 0.00 0.00 2.57 -1.04 -0.49 -4.54 114.28 106.24 2wvx n THR 562 Ca 0.02 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2wvx n THR 562 Cb 0.16 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2wvx n THR 562 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2wvx n ASP 565 N 6.37 0.00 0.15 8.00 8.00 -1.26 -4.74 116.55 133.07 2wvx n ASP 565 Ca 0.23 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.86 2wvx n ASP 565 Cb 0.26 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.86 2wvx n ASP 565 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wvx h SER 566 N 0.00 0.00 -0.87 -2.24 4.64 -1.96 -1.93 113.55 111.20 2wvx h SER 566 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2wvx h SER 566 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2wvx h SER 566 CO 0.00 0.00 0.48 0.58 -0.87 0.00 0.00 176.83 177.02 2wvx h VAL 567 N 0.00 1.25 0.04 0.95 2.07 -1.95 -2.96 116.25 115.66 2wvx h VAL 567 Ca 0.00 -0.63 -0.24 0.00 0.82 0.00 0.00 66.70 66.65 2wvx h VAL 567 Cb 0.49 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2wvx h VAL 567 CO 0.00 0.28 -1.18 -0.26 0.02 0.00 0.00 177.57 176.44 2wvx h PHE 568 N 1.21 0.17 0.02 1.57 0.04 -1.75 0.16 116.94 118.35 2wvx h PHE 568 Ca 0.31 -0.12 -0.21 0.00 2.80 0.00 0.00 57.97 60.75 2wvx h PHE 568 Cb 0.03 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2wvx h PHE 568 CO 0.01 1.11 -0.95 0.00 -0.60 0.00 0.00 178.31 177.87 2wvx h ALA 569 N 0.85 0.43 -2.29 2.45 0.00 -1.31 -3.28 119.26 116.12 2wvx h ALA 569 Ca -0.09 -0.80 -0.49 0.00 0.00 0.00 0.00 54.91 53.53 2wvx h ALA 569 Cb 1.87 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.60 2wvx h ALA 569 CO 0.15 1.03 0.39 0.14 0.00 0.00 0.00 179.25 180.95 2wvx s VAL 570 N -2.98 4.64 0.93 0.00 -7.23 -1.13 -4.96 120.40 109.67 2wvx s VAL 570 Ca -0.02 1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 61.03 2wvx s VAL 570 Cb 0.10 -3.81 0.15 0.00 0.56 0.00 0.00 36.38 33.38 2wvx s VAL 570 CO 0.83 -0.94 1.11 -2.16 -0.31 0.00 0.00 175.10 173.63 2wvx s PRO 571 N -4.69 1.01 -0.56 4.82 0.05 -1.26 -3.83 135.00 130.54 2wvx s PRO 571 Ca 0.56 0.44 -0.06 0.00 0.05 0.00 0.00 61.00 61.99 2wvx s PRO 571 Cb -0.11 -1.81 -0.16 0.00 0.05 0.00 0.00 34.50 32.48 2wvx s PRO 571 CO 0.44 -2.32 2.84 -2.30 0.05 0.00 0.00 177.00 175.71 2wvx n PRO 572 N -3.88 2.21 -2.28 0.56 -0.02 -1.26 -4.47 135.00 125.86 2wvx n PRO 572 Ca 0.06 -1.26 -0.34 0.00 -2.02 0.00 0.00 63.50 59.94 2wvx n PRO 572 Cb 0.58 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2wvx n PRO 572 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2wvx s ILE 573 N 1.96 3.50 0.09 4.25 -4.36 -1.26 -4.76 121.20 120.61 2wvx s ILE 573 Ca 0.55 0.87 -0.18 0.00 -0.26 0.00 0.00 60.65 61.64 2wvx s ILE 573 Cb 0.21 -3.34 0.04 0.00 1.25 0.00 0.00 42.46 40.61 2wvx s ILE 573 CO -0.02 -0.26 0.42 0.72 0.24 0.00 0.00 174.94 176.04 2wvx s PHE 574 N -2.01 -0.26 -0.27 1.37 -0.12 -1.26 -4.99 117.98 110.45 2wvx s PHE 574 Ca 0.69 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.67 2wvx s PHE 574 Cb -0.19 0.26 0.06 0.00 -0.63 0.00 0.00 43.02 42.51 2wvx s PHE 574 CO 0.27 -0.65 -0.09 0.34 -0.05 0.00 0.00 175.22 175.04 2wvx s ASP 575 N -2.43 4.50 -0.06 1.98 -1.08 -0.65 -4.98 116.67 113.96 2wvx s ASP 575 Ca -0.01 -1.35 0.20 0.00 -0.52 0.00 0.00 52.55 50.87 2wvx s ASP 575 Cb 0.01 -1.58 0.68 0.00 -1.46 0.00 0.00 42.92 40.57 2wvx s ASP 575 CO -0.07 -0.20 1.59 -0.90 0.52 0.00 0.00 175.17 176.10 2wvx n ASP 576 N 4.47 4.37 0.09 -0.34 5.68 -1.26 -2.01 116.55 127.54 2wvx n ASP 576 Ca -0.14 -2.22 0.18 0.00 -0.50 0.00 0.00 54.79 52.10 2wvx n ASP 576 Cb 0.43 -0.53 0.71 0.00 -1.14 0.00 0.00 41.12 40.58 2wvx n ASP 576 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2wvx h SER 577 N 4.18 0.00 -0.50 -1.12 4.64 -1.91 0.29 113.55 119.14 2wvx h SER 577 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wvx h SER 577 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2wvx h SER 577 CO 0.12 0.00 0.31 0.22 -0.87 0.00 0.00 176.83 176.60 2wvx h TYR 578 N 0.00 0.68 0.00 4.77 3.20 -1.82 -3.14 116.97 120.65 2wvx h TYR 578 Ca 0.18 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.88 2wvx h TYR 578 Cb 0.75 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2wvx h TYR 578 CO 0.00 0.46 -2.05 0.66 -1.64 0.00 0.00 178.16 175.59 2wvx n TYR 579 N -4.42 0.16 -0.60 -3.82 4.01 0.75 -4.99 117.16 108.25 2wvx n TYR 579 Ca 0.05 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2wvx n TYR 579 Cb 0.08 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 2wvx n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wvx n GLY 580 N 1.47 0.98 3.89 2.72 0.00 0.35 -4.96 105.19 109.64 2wvx n GLY 580 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2wvx n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wvx s GLN 581 N -0.32 1.11 -0.76 1.61 -2.07 -1.24 -4.97 119.66 113.02 2wvx s GLN 581 Ca 0.00 -0.71 -0.20 0.00 -1.82 0.00 0.00 55.36 52.63 2wvx s GLN 581 Cb 0.00 0.31 0.10 0.00 -1.09 0.00 0.00 33.01 32.34 2wvx s GLN 581 CO 0.00 -0.52 0.99 0.08 -1.32 0.00 0.00 175.29 174.52 2wvx s VAL 582 N -2.20 4.57 0.77 3.63 1.01 -1.26 -4.82 120.40 122.10 2wvx s VAL 582 Ca 0.23 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2wvx s VAL 582 Cb -0.02 -4.69 0.05 0.00 0.00 0.00 0.00 36.38 31.72 2wvx s VAL 582 CO 0.04 -1.42 1.09 0.27 0.00 0.00 0.00 175.10 175.07 2wvx s ILE 583 N 3.26 3.39 0.30 2.22 -4.36 -1.26 -4.73 121.20 120.02 2wvx s ILE 583 Ca 0.25 0.45 0.00 0.00 -0.26 0.00 0.00 60.65 61.09 2wvx s ILE 583 Cb -0.13 -2.98 0.28 0.00 1.25 0.00 0.00 42.46 40.88 2wvx s ILE 583 CO 0.02 -0.59 1.91 1.12 0.24 0.00 0.00 174.94 177.63 2wvx h HIS 584 N -1.09 1.06 -0.71 1.37 2.07 -1.81 -0.93 115.15 115.11 2wvx h HIS 584 Ca -0.44 0.03 0.06 0.00 -2.85 0.00 0.00 60.37 57.17 2wvx h HIS 584 Cb 1.23 -0.35 -0.04 0.00 2.57 0.00 0.00 27.41 30.82 2wvx h HIS 584 CO 0.57 0.55 0.47 0.93 -3.07 0.00 0.00 177.93 177.38 2wvx h GLU 585 N 1.04 0.74 -0.04 5.12 3.07 -1.91 0.24 114.58 122.84 2wvx h GLU 585 Ca 0.39 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 2wvx h GLU 585 Cb 0.19 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2wvx h GLU 585 CO -0.15 0.49 -0.16 0.82 -1.40 0.00 0.00 179.01 178.62 2wvx h ILE 586 N 0.76 1.47 -0.94 3.13 2.04 -1.54 -3.22 117.51 119.20 2wvx h ILE 586 Ca 0.30 -1.62 0.15 0.00 1.00 0.00 0.00 64.86 64.69 2wvx h ILE 586 Cb 0.21 2.44 -0.10 0.00 -0.74 0.00 0.00 36.82 38.63 2wvx h ILE 586 CO -0.10 0.45 0.55 -0.09 0.00 0.00 0.00 178.15 178.96 2wvx h ARG 587 N -0.40 0.75 -0.64 2.37 9.65 -0.79 -1.31 114.38 124.02 2wvx h ARG 587 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wvx h ARG 587 Cb 0.81 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2wvx h ARG 587 CO 0.03 0.50 0.00 0.39 2.80 0.00 0.00 179.97 183.69 2wvx n GLU 588 N -4.77 0.13 0.00 0.20 1.02 0.77 -2.12 120.64 115.88 2wvx n GLU 588 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2wvx n GLU 588 Cb 0.46 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2wvx n GLU 588 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wvx n THR 590 N 0.58 0.00 -0.62 2.62 -2.24 -0.50 -4.97 114.28 109.16 2wvx n THR 590 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2wvx n THR 590 Cb 0.04 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 2wvx n THR 590 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2wvx n VAL 591 N 0.00 2.07 0.00 2.28 0.24 -0.90 -4.91 118.33 117.12 2wvx n VAL 591 Ca 0.00 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2wvx n VAL 591 Cb 0.00 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 30.71 2wvx n VAL 591 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2wvx n ASN 593 N 2.06 0.00 0.00 -1.34 4.05 -1.26 -5.23 115.26 113.54 2wvx n ASN 593 Ca 0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.20 2wvx n ASN 593 Cb 0.59 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.60 2wvx n ASN 593 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wvx n GLY 595 N 0.00 1.31 0.75 8.20 0.00 -1.24 -5.07 105.19 109.15 2wvx n GLY 595 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.01 2wvx n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvx n ASN 596 N 0.00 2.17 -4.56 1.61 3.02 0.56 -4.09 115.26 113.98 2wvx n ASN 596 Ca 0.00 -2.02 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 2wvx n ASN 596 Cb 0.00 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2wvx n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wvx s TYR 597 N -1.49 2.51 -0.99 3.10 5.04 -1.25 -4.89 117.35 119.38 2wvx s TYR 597 Ca 0.27 -0.80 -0.16 0.00 -2.44 0.00 0.00 57.07 53.95 2wvx s TYR 597 Cb 0.14 -4.68 0.17 0.00 0.35 0.00 0.00 41.96 37.94 2wvx s TYR 597 CO 0.18 -1.94 1.11 0.00 -1.34 0.00 0.00 175.55 173.56 2wvx s ALA 598 N 5.11 3.81 0.47 3.97 0.00 -1.26 -4.88 121.76 128.98 2wvx s ALA 598 Ca 0.46 -3.13 0.13 0.00 0.00 0.00 0.00 51.96 49.42 2wvx s ALA 598 Cb -0.00 -3.90 1.11 0.00 0.00 0.00 0.00 23.12 20.33 2wvx s ALA 598 CO -0.09 -2.70 2.09 1.25 0.00 0.00 0.00 175.76 176.31 2wvx h HIS 599 N 8.01 0.22 0.00 0.00 2.76 -1.95 0.17 115.15 124.36 2wvx h HIS 599 Ca 0.18 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2wvx h HIS 599 Cb 0.98 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 2wvx h HIS 599 CO 1.08 0.13 -0.08 0.78 -1.30 0.00 0.00 177.93 178.55 2wvx h GLY 600 N 0.23 0.00 -6.78 5.26 0.00 -1.89 -3.42 103.07 96.46 2wvx h GLY 600 Ca 0.09 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.85 2wvx h GLY 600 CO -0.02 0.00 1.13 -1.31 0.00 0.00 0.00 176.54 176.34 2wvx s ASN 601 N -6.02 6.22 0.26 0.19 0.02 0.59 -4.88 114.94 111.33 2wvx s ASN 601 Ca -0.03 0.97 -0.03 0.00 -1.02 0.00 0.00 52.86 52.75 2wvx s ASN 601 Cb 0.13 -2.54 0.56 0.00 0.02 0.00 0.00 41.25 39.42 2wvx s ASN 601 CO 0.56 -1.50 1.64 1.56 0.02 0.00 0.00 177.10 179.38 2wvx h GLN 602 N 11.25 0.16 0.00 -0.60 7.50 -1.86 -0.76 115.11 130.80 2wvx h GLN 602 Ca -0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.84 2wvx h GLN 602 Cb 1.12 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.62 2wvx h GLN 602 CO 1.07 0.10 -0.03 -1.35 -1.50 0.00 0.00 178.83 177.12 2wvx h PRO 603 N 0.16 0.00 -0.01 1.46 0.11 -1.89 -1.79 132.00 130.04 2wvx h PRO 603 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2wvx h PRO 603 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2wvx h PRO 603 CO -0.65 0.03 -0.19 1.51 -0.21 0.00 0.00 178.00 178.49 2wvx n ILE 604 N -3.75 0.00 0.26 4.15 3.06 -0.29 -4.53 119.36 118.26 2wvx n ILE 604 Ca -0.03 -0.17 0.11 0.00 -2.50 0.00 0.00 62.75 60.17 2wvx n ILE 604 Cb 0.12 0.47 0.71 0.00 0.54 0.00 0.00 39.64 41.48 2wvx n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2wvx h GLN 605 N 1.61 0.00 -3.32 9.51 4.20 -1.35 -3.40 115.11 122.37 2wvx h GLN 605 Ca 0.00 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.96 2wvx h GLN 605 Cb 0.52 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.17 2wvx h GLN 605 CO 0.00 0.11 2.23 -2.39 -0.67 0.00 0.00 178.83 178.11 2wvx n HIS 606 N -3.85 2.86 0.00 2.96 1.44 -1.26 -4.86 115.22 112.52 2wvx n HIS 606 Ca -0.02 -2.81 0.00 0.00 -2.01 0.00 0.00 57.72 52.88 2wvx n HIS 606 Cb 0.21 -1.97 0.00 0.00 0.12 0.00 0.00 29.99 28.35 2wvx n HIS 606 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2wvx n ILE 608 N 3.08 0.00 0.30 0.61 5.41 -1.26 -3.52 119.36 123.98 2wvx n ILE 608 Ca 0.46 0.00 0.19 0.00 1.00 0.00 0.00 62.75 64.40 2wvx n ILE 608 Cb 0.33 0.00 1.01 0.00 -0.71 0.00 0.00 39.64 40.28 2wvx n ILE 608 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2wvx h TYR 609 N 0.00 0.00 0.00 1.39 -1.99 -1.93 -2.21 116.97 112.23 2wvx h TYR 609 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2wvx h TYR 609 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 2wvx h TYR 609 CO 0.00 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.02 2wvx h LEU 610 N 0.00 0.00 -1.59 3.88 3.38 -2.00 -1.51 115.31 117.47 2wvx h LEU 610 Ca 0.02 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.23 2wvx h LEU 610 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2wvx h LEU 610 CO -0.00 0.07 0.65 1.88 0.09 0.00 0.00 178.44 181.13 2wvx h TYR 611 N 0.00 0.44 -0.57 1.13 0.05 -1.71 0.17 116.97 116.49 2wvx h TYR 611 Ca -0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2wvx h TYR 611 Cb 0.22 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2wvx h TYR 611 CO 0.00 0.08 0.29 -0.44 -1.05 0.00 0.00 178.16 177.04 2wvx h ASP 612 N 0.30 0.70 1.69 3.88 5.19 -1.47 -1.51 116.42 125.20 2wvx h ASP 612 Ca 0.51 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 2wvx h ASP 612 Cb 1.47 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2wvx h ASP 612 CO -0.17 0.58 0.00 1.88 -3.12 0.00 0.00 179.24 178.41 2wvx h TYR 613 N 0.79 0.00 -0.33 4.55 -1.99 -1.11 -2.00 116.97 116.88 2wvx h TYR 613 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 2wvx h TYR 613 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2wvx h TYR 613 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 2wvx n ALA 614 N -2.05 2.46 -1.59 3.88 0.00 -0.88 -4.93 120.51 117.42 2wvx n ALA 614 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 2wvx n ALA 614 Cb 0.46 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 2wvx n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvx n GLY 615 N 1.17 0.42 2.46 0.00 0.00 -0.75 -4.91 105.19 103.57 2wvx n GLY 615 Ca 0.15 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 2wvx n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvx n GLN 616 N -2.06 1.80 0.31 1.61 6.02 -0.62 -4.58 117.38 119.85 2wvx n GLN 616 Ca -0.03 -3.93 0.19 0.00 -0.01 0.00 0.00 57.00 53.21 2wvx n GLN 616 Cb 0.32 -1.88 0.97 0.00 1.02 0.00 0.00 30.24 30.67 2wvx n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2wvx h PRO 617 N 3.11 0.00 -0.07 -1.09 0.13 -1.82 -1.61 132.00 130.64 2wvx h PRO 617 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2wvx h PRO 617 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2wvx h PRO 617 CO 0.62 0.03 -0.11 0.11 -0.23 0.00 0.00 178.00 178.41 2wvx h TRP 618 N 0.00 0.11 -0.45 1.56 0.09 -1.90 -0.36 115.95 115.00 2wvx h TRP 618 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 58.89 58.90 2wvx h TRP 618 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 29.16 29.36 2wvx h TRP 618 CO 0.00 0.23 -0.02 0.87 0.09 0.00 0.00 178.44 179.60 2wvx h LYS 619 N 0.11 0.76 -0.34 0.12 1.79 -1.67 -1.33 116.57 116.01 2wvx h LYS 619 Ca 0.02 -0.21 -0.17 0.00 -2.18 0.00 0.00 60.65 58.11 2wvx h LYS 619 Cb 0.27 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2wvx h LYS 619 CO 0.02 0.78 -0.47 0.00 -1.08 0.00 0.00 179.45 178.70 2wvx h ALA 620 N 1.27 0.52 -0.54 3.86 0.00 -1.32 -2.22 119.26 120.82 2wvx h ALA 620 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2wvx h ALA 620 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2wvx h ALA 620 CO 0.02 0.68 0.28 1.96 0.00 0.00 0.00 179.25 182.19 2wvx h GLN 621 N 0.72 0.77 0.63 0.00 4.20 -0.89 0.90 115.11 121.44 2wvx h GLN 621 Ca 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2wvx h GLN 621 Cb 1.07 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2wvx h GLN 621 CO 0.11 0.62 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.56 2wvx h TYR 622 N 0.73 -1.09 -0.20 2.96 3.20 -1.16 -2.81 116.97 118.60 2wvx h TYR 622 Ca 0.19 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 2wvx h TYR 622 Cb 0.09 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2wvx h TYR 622 CO -0.01 -0.61 -0.61 -1.49 -1.64 0.00 0.00 178.16 173.80 2wvx h TRP 623 N -0.98 0.87 -0.67 -3.82 4.06 -1.24 -2.55 115.95 111.61 2wvx h TRP 623 Ca -0.08 -0.33 0.04 0.00 2.06 0.00 0.00 58.89 60.58 2wvx h TRP 623 Cb 0.80 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.76 2wvx h TRP 623 CO -0.12 1.11 0.40 -0.07 -3.56 0.00 0.00 178.44 176.21 2wvx h LEU 624 N 0.51 0.65 -0.62 -4.49 3.38 -0.87 -0.93 115.31 112.93 2wvx h LEU 624 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2wvx h LEU 624 Cb 1.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2wvx h LEU 624 CO 0.12 0.44 0.17 -0.09 0.09 0.00 0.00 178.44 179.17 2wvx h ARG 625 N 0.78 0.99 -0.46 1.13 9.65 -1.35 -2.61 114.38 122.50 2wvx h ARG 625 Ca 0.28 -0.23 0.08 0.00 -1.10 0.00 0.00 59.98 59.01 2wvx h ARG 625 Cb 0.07 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.45 2wvx h ARG 625 CO -0.13 0.89 0.08 1.96 2.80 0.00 0.00 179.97 185.57 2wvx h GLN 626 N 0.90 0.20 -0.09 0.20 1.08 -1.00 0.16 115.11 116.57 2wvx h GLN 626 Ca 0.20 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2wvx h GLN 626 Cb 0.33 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2wvx h GLN 626 CO -0.00 0.13 0.00 0.28 -0.95 0.00 0.00 178.83 178.29 2wvx n VAL 627 N -5.12 0.00 0.00 -0.54 0.31 -0.40 -1.25 118.33 111.32 2wvx n VAL 627 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2wvx n VAL 627 Cb 0.23 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2wvx n VAL 627 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2wvx n ASP 629 N 0.41 0.00 -0.89 4.52 8.00 0.55 -3.95 116.55 125.19 2wvx n ASP 629 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 2wvx n ASP 629 Cb 0.02 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.33 2wvx n ASP 629 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wvx n ARG 630 N 0.00 1.77 0.00 -1.24 1.74 -0.38 -4.94 116.66 113.61 2wvx n ARG 630 Ca 0.00 -3.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.90 2wvx n ARG 630 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2wvx n ARG 630 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wvx n TYR 632 N -1.11 0.00 -4.13 -1.55 4.02 -1.25 -5.05 117.16 108.09 2wvx n TYR 632 Ca 0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 58.04 2wvx n TYR 632 Cb 0.88 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.10 2wvx n TYR 632 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2wvx s THR 633 N 0.00 0.66 -1.03 -0.72 -4.23 0.29 -5.03 115.64 105.58 2wvx s THR 633 Ca 0.00 -1.56 0.22 0.00 -1.18 0.00 0.00 61.69 59.17 2wvx s THR 633 Cb 0.00 -1.22 0.20 0.00 1.34 0.00 0.00 72.50 72.82 2wvx s THR 633 CO 0.00 -0.64 1.71 -0.81 -0.54 0.00 0.00 174.62 174.34 2wvx n PRO 634 N 0.63 0.02 -0.79 3.99 -0.04 -1.26 -4.15 135.00 133.39 2wvx n PRO 634 Ca -0.17 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 2wvx n PRO 634 Cb 0.58 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 2wvx n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wvx n GLY 635 N 0.78 -1.13 0.27 0.55 0.00 -1.26 -4.86 105.19 99.54 2wvx n GLY 635 Ca 0.06 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.43 2wvx n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wvx h PRO 636 N 0.00 0.15 -0.99 1.61 0.11 -1.91 -0.91 132.00 130.05 2wvx h PRO 636 Ca -0.17 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.28 2wvx h PRO 636 Cb 0.47 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 31.25 2wvx h PRO 636 CO 0.12 0.13 0.82 -0.40 -0.21 0.00 0.00 178.00 178.46 2wvx n ASP 637 N -4.49 7.10 -0.07 -2.05 3.85 -1.26 0.15 116.55 119.78 2wvx n ASP 637 Ca -0.01 -3.76 -0.01 0.00 -0.71 0.00 0.00 54.79 50.30 2wvx n ASP 637 Cb 0.10 -0.95 0.26 0.00 -1.35 0.00 0.00 41.12 39.19 2wvx n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2wvx h GLY 638 N 1.86 0.75 -1.91 6.12 0.00 -1.28 -3.46 103.07 105.14 2wvx h GLY 638 Ca 0.61 -0.40 -0.45 0.00 0.00 0.00 0.00 47.33 47.09 2wvx h GLY 638 CO 1.52 0.37 -0.02 -0.19 0.00 0.00 0.00 176.54 178.22 2wvx s TYR 639 N -5.22 3.05 -1.97 5.60 1.51 -0.82 -0.55 117.35 118.95 2wvx s TYR 639 Ca -0.09 0.19 0.23 0.00 -1.01 0.00 0.00 57.07 56.39 2wvx s TYR 639 Cb 0.16 -2.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.45 2wvx s TYR 639 CO 0.78 -0.70 1.13 0.00 -1.11 0.00 0.00 175.55 175.64 2wvx n GLY 641 N 1.42 1.80 3.64 0.00 0.00 -1.22 -4.82 105.19 106.01 2wvx n GLY 641 Ca 0.09 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2wvx n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wvx n ASP 642 N -0.12 1.71 0.11 1.61 8.00 -1.26 -2.10 116.55 124.50 2wvx n ASP 642 Ca 0.00 1.06 -0.03 0.00 0.71 0.00 0.00 54.79 56.53 2wvx n ASP 642 Cb 0.00 -1.40 0.07 0.00 -0.02 0.00 0.00 41.12 39.77 2wvx n ASP 642 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2wvx h GLU 643 N 1.71 0.00 -5.23 -1.24 4.22 -1.60 -3.45 114.58 108.99 2wvx h GLU 643 Ca -0.46 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 58.69 2wvx h GLU 643 Cb 1.32 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.72 2wvx h GLU 643 CO 0.58 0.75 -0.68 -0.25 -2.18 0.00 0.00 179.01 177.22 2wvx n ASP 644 N -3.65 -2.10 -2.81 1.04 8.00 -1.26 -2.18 116.55 113.58 2wvx n ASP 644 Ca -0.01 -0.55 -0.20 0.00 0.71 0.00 0.00 54.79 54.74 2wvx n ASP 644 Cb 0.72 -4.60 0.04 0.00 -0.02 0.00 0.00 41.12 37.26 2wvx n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wvx n ASN 645 N -2.89 -5.75 0.00 -2.24 4.13 -1.26 -1.91 115.26 105.33 2wvx n ASN 645 Ca -0.25 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.72 2wvx n ASN 645 Cb 0.65 -4.55 0.00 0.00 -1.54 0.00 0.00 39.78 34.34 2wvx n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvx n GLY 646 N -1.51 3.31 0.08 7.41 0.00 -1.24 -4.79 105.19 108.44 2wvx n GLY 646 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2wvx n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wvx h GLN 647 N 2.76 -0.06 0.00 1.61 5.75 -1.42 0.17 115.11 123.91 2wvx h GLN 647 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2wvx h GLN 647 Cb 0.00 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2wvx h GLN 647 CO 0.00 0.34 -0.20 1.15 -2.65 0.00 0.00 178.83 177.47 2wvx h THR 648 N -0.48 0.84 0.01 2.39 2.02 -1.66 -0.82 112.91 115.21 2wvx h THR 648 Ca -0.01 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2wvx h THR 648 Cb 0.43 1.46 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2wvx h THR 648 CO 0.01 0.20 -0.30 0.28 0.37 0.00 0.00 175.52 176.08 2wvx h SER 649 N 0.00 0.24 0.17 4.18 0.02 -1.68 -3.25 113.55 113.23 2wvx h SER 649 Ca -0.00 -0.81 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 2wvx h SER 649 Cb 0.44 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2wvx h SER 649 CO 0.03 1.02 -0.10 0.00 -1.14 0.00 0.00 176.83 176.64 2wvx h ALA 650 N 0.22 1.56 -0.83 3.77 0.00 -0.53 -1.62 119.26 121.83 2wvx h ALA 650 Ca -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wvx h ALA 650 Cb 1.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2wvx h ALA 650 CO 0.06 0.12 0.55 2.35 0.00 0.00 0.00 179.25 182.32 2wvx h TRP 651 N 0.00 1.05 -0.35 0.00 7.01 -1.19 -1.14 115.95 121.34 2wvx h TRP 651 Ca -0.00 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.86 2wvx h TRP 651 Cb 0.21 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2wvx h TRP 651 CO 0.00 0.67 -0.41 -0.92 -2.79 0.00 0.00 178.44 174.99 2wvx h TYR 652 N 1.13 1.08 0.23 2.65 5.03 -1.35 -0.92 116.97 124.82 2wvx h TYR 652 Ca 0.30 -0.34 0.01 0.00 2.58 0.00 0.00 58.73 61.28 2wvx h TYR 652 Cb -0.12 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 37.90 2wvx h TYR 652 CO -0.01 1.16 -0.35 0.28 -1.32 0.00 0.00 178.16 177.92 2wvx h VAL 653 N 0.70 0.28 0.16 1.81 2.07 -0.99 0.17 116.25 120.45 2wvx h VAL 653 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2wvx h VAL 653 Cb 1.01 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2wvx h VAL 653 CO 0.10 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.34 2wvx h PHE 654 N -0.64 -0.22 -0.33 1.57 0.04 -1.25 -2.50 116.94 113.60 2wvx h PHE 654 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2wvx h PHE 654 Cb 0.62 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 2wvx h PHE 654 CO -0.25 -0.14 0.02 0.77 -0.60 0.00 0.00 178.31 178.11 2wvx h SER 655 N -0.23 0.46 0.34 2.17 0.02 -1.03 -0.82 113.55 114.46 2wvx h SER 655 Ca -0.02 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2wvx h SER 655 Cb 0.18 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2wvx h SER 655 CO 0.03 0.51 -0.40 0.00 -1.14 0.00 0.00 176.83 175.83 2wvx h ALA 656 N 1.55 1.26 0.00 3.77 0.00 -0.54 -1.80 119.26 123.50 2wvx h ALA 656 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2wvx h ALA 656 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wvx h ALA 656 CO 0.01 0.53 -0.36 -0.07 0.00 0.00 0.00 179.25 179.35 2wvx h LEU 657 N 0.07 0.00 0.00 0.00 3.38 -0.74 0.61 115.31 118.63 2wvx h LEU 657 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wvx h LEU 657 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2wvx h LEU 657 CO 0.06 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2wvx n GLY 658 N -0.06 1.24 3.54 0.83 0.00 -0.58 -4.48 105.19 105.68 2wvx n GLY 658 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2wvx n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvx s PHE 659 N -2.00 -0.09 -0.19 1.61 -0.12 -1.15 -0.40 117.98 115.64 2wvx s PHE 659 Ca 0.00 -0.26 -0.17 0.00 -0.05 0.00 0.00 56.93 56.45 2wvx s PHE 659 Cb 0.00 0.39 0.05 0.00 -0.63 0.00 0.00 43.02 42.83 2wvx s PHE 659 CO 0.00 -0.93 0.50 -0.47 -0.05 0.00 0.00 175.22 174.27 2wvx s TYR 660 N -3.88 -0.57 -1.28 3.49 6.14 -0.06 -3.79 117.35 117.40 2wvx s TYR 660 Ca 0.10 1.36 -0.16 0.00 0.64 0.00 0.00 57.07 59.02 2wvx s TYR 660 Cb -0.01 0.21 0.11 0.00 0.42 0.00 0.00 41.96 42.69 2wvx s TYR 660 CO -0.02 -0.28 1.67 -0.35 0.64 0.00 0.00 175.55 177.22 2wvx n PRO 661 N 2.94 3.26 -0.25 4.97 -0.04 -1.26 0.09 135.00 144.71 2wvx n PRO 661 Ca -0.14 -3.45 0.02 0.00 -0.04 0.00 0.00 63.50 59.89 2wvx n PRO 661 Cb 0.56 -3.28 0.15 0.00 -0.04 0.00 0.00 33.50 30.89 2wvx n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wvx h VAL 662 N 5.00 0.82 -3.11 0.52 2.07 -1.87 -3.33 116.25 116.35 2wvx h VAL 662 Ca 0.41 -0.20 -0.62 0.00 0.82 0.00 0.00 66.70 67.10 2wvx h VAL 662 Cb 0.84 0.18 -0.41 0.00 -1.52 0.00 0.00 31.29 30.37 2wvx h VAL 662 CO 1.42 0.11 -0.65 0.00 0.02 0.00 0.00 177.57 178.47 2wvx n PRO 664 N 2.65 1.43 0.00 0.00 -0.02 -1.25 -1.44 135.00 136.36 2wvx n PRO 664 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2wvx n PRO 664 Cb 0.35 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2wvx n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wvx n GLY 665 N 1.00 2.69 4.00 -1.23 0.00 -1.26 -4.85 105.19 105.54 2wvx n GLY 665 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2wvx n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvx s THR 666 N -2.67 2.49 -0.41 2.61 -4.23 -0.52 -4.88 115.64 108.03 2wvx s THR 666 Ca 0.00 -0.83 0.12 0.00 -1.18 0.00 0.00 61.69 59.80 2wvx s THR 666 Cb 0.00 -2.66 0.68 0.00 1.34 0.00 0.00 72.50 71.86 2wvx s THR 666 CO 0.00 0.00 1.54 -0.90 -0.54 0.00 0.00 174.62 174.72 2wvx n ASP 667 N -2.30 4.91 -4.67 3.99 5.75 -1.26 -4.96 116.55 118.01 2wvx n ASP 667 Ca 0.12 -2.76 -0.34 0.00 -0.01 0.00 0.00 54.79 51.80 2wvx n ASP 667 Cb 0.60 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 2wvx n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wvx s GLU 668 N -2.44 2.85 -0.19 0.11 2.02 -1.26 -0.02 118.70 119.78 2wvx s GLU 668 Ca 0.45 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.92 2wvx s GLU 668 Cb 0.34 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.88 2wvx s GLU 668 CO 0.14 0.66 -0.15 0.71 0.02 0.00 0.00 175.26 176.64 2wvx s TYR 669 N -0.96 2.83 0.00 1.61 1.51 0.07 -4.56 117.35 117.85 2wvx s TYR 669 Ca 0.16 -1.40 0.00 0.00 -1.01 0.00 0.00 57.07 54.82 2wvx s TYR 669 Cb -0.11 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2wvx s TYR 669 CO 0.06 -0.71 0.00 0.28 -1.11 0.00 0.00 175.55 174.06 2wvx n VAL 670 N 4.64 0.00 0.00 0.71 0.31 0.11 -0.60 118.33 123.51 2wvx n VAL 670 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2wvx n VAL 670 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 2wvx n VAL 670 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wvx n GLY 672 N 5.00 0.09 3.32 2.92 0.00 0.47 -0.88 105.19 116.11 2wvx n GLY 672 Ca 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 2wvx n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wvx s THR 673 N 2.25 -0.15 0.56 2.61 -1.32 -1.24 -4.69 115.64 113.66 2wvx s THR 673 Ca 0.00 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.39 2wvx s THR 673 Cb 0.00 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 70.27 2wvx s THR 673 CO 0.00 0.04 1.08 -2.16 -2.21 0.00 0.00 174.62 171.37 2wvx s PRO 674 N 1.67 3.36 -0.08 7.08 0.04 -1.26 -4.33 135.00 141.48 2wvx s PRO 674 Ca -0.08 1.40 0.19 0.00 0.04 0.00 0.00 61.00 62.54 2wvx s PRO 674 Cb -0.09 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 2wvx s PRO 674 CO -0.14 -0.80 0.39 -0.11 0.04 0.00 0.00 177.00 176.38 2wvx n LEU 675 N -1.61 0.23 -4.78 -3.56 7.94 0.21 -4.94 117.00 110.48 2wvx n LEU 675 Ca 0.10 0.10 -0.24 0.00 -1.11 0.00 0.00 56.01 54.86 2wvx n LEU 675 Cb 0.52 0.24 -0.05 0.00 0.53 0.00 0.00 43.42 44.66 2wvx n LEU 675 CO 0.44 0.27 -0.22 -0.36 -1.11 0.00 0.00 177.39 176.41 2wvx s PHE 676 N -2.89 3.07 0.42 1.96 0.08 -1.26 -4.89 117.98 114.47 2wvx s PHE 676 Ca -0.08 -0.08 0.25 0.00 0.12 0.00 0.00 56.93 57.15 2wvx s PHE 676 Cb 0.09 -1.43 1.38 0.00 -0.57 0.00 0.00 43.02 42.49 2wvx s PHE 676 CO 0.85 0.53 2.06 0.87 -0.10 0.00 0.00 175.22 179.42 2wvx h LYS 677 N 2.04 0.00 -2.36 0.44 1.57 -1.22 -3.42 116.57 113.62 2wvx h LYS 677 Ca -0.48 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 2wvx h LYS 677 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.30 2wvx h LYS 677 CO 0.61 0.13 -0.09 0.21 -0.57 0.00 0.00 179.45 179.74 2wvx s LYS 678 N -4.26 0.61 -0.00 3.15 2.20 -1.02 0.60 119.74 121.02 2wvx s LYS 678 Ca -0.03 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.47 2wvx s LYS 678 Cb 0.13 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2wvx s LYS 678 CO 0.60 -0.11 -0.06 0.00 -0.36 0.00 0.00 175.35 175.42 2wvx s ALA 679 N 0.80 0.49 -0.10 3.13 0.00 -0.53 -0.90 121.76 124.66 2wvx s ALA 679 Ca -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2wvx s ALA 679 Cb -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2wvx s ALA 679 CO -0.06 0.12 -0.13 0.99 0.00 0.00 0.00 175.76 176.67 2wvx s THR 680 N -0.16 1.34 -0.16 0.00 2.01 0.57 0.30 115.64 119.54 2wvx s THR 680 Ca 0.02 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 2wvx s THR 680 Cb -0.02 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2wvx s THR 680 CO -0.00 0.41 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.57 2wvx s LEU 681 N 0.98 3.46 -0.34 4.42 1.43 0.38 -0.85 118.68 128.16 2wvx s LEU 681 Ca -0.08 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2wvx s LEU 681 Cb -0.15 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2wvx s LEU 681 CO -0.01 0.18 0.08 -1.00 0.23 0.00 0.00 176.35 175.83 2wvx s HIS 682 N 0.30 3.33 0.53 0.29 3.76 0.35 -1.03 115.29 122.82 2wvx s HIS 682 Ca -0.01 -1.85 -0.12 0.00 -0.15 0.00 0.00 55.06 52.94 2wvx s HIS 682 Cb -0.13 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 2wvx s HIS 682 CO 0.02 -0.82 0.93 -0.06 -0.85 0.00 0.00 174.74 173.96 2wvx s PHE 683 N 1.28 3.54 0.41 1.40 0.08 -0.35 -4.81 117.98 119.53 2wvx s PHE 683 Ca -0.01 1.22 0.40 0.00 0.12 0.00 0.00 56.93 58.66 2wvx s PHE 683 Cb -0.20 -2.62 1.97 0.00 -0.57 0.00 0.00 43.02 41.59 2wvx s PHE 683 CO -0.01 -0.43 2.20 0.93 -0.10 0.00 0.00 175.22 177.81 2wvx h GLU 684 N 0.39 0.00 -0.00 0.44 5.08 -1.86 -1.20 114.58 117.42 2wvx h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2wvx h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wvx h GLU 684 CO 0.62 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.90 2wvx n ASN 685 N -3.05 0.13 0.00 1.42 2.04 -1.26 -4.88 115.26 109.66 2wvx n ASN 685 Ca -0.01 -1.15 0.00 0.00 -0.44 0.00 0.00 54.58 52.97 2wvx n ASN 685 Cb 0.16 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 2wvx n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wvx n GLY 686 N 0.96 0.87 3.91 4.83 0.00 -0.45 -5.06 105.19 110.25 2wvx n GLY 686 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2wvx n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvx s ASN 687 N -2.90 6.25 0.06 1.61 0.01 -1.26 -4.90 114.94 113.81 2wvx s ASN 687 Ca 0.00 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 53.05 2wvx s ASN 687 Cb 0.00 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 2wvx s ASN 687 CO 0.00 -0.56 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.48 2wvx s SER 688 N -4.10 1.30 -0.11 -1.22 0.01 -1.26 -1.20 113.70 107.11 2wvx s SER 688 Ca 0.47 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 2wvx s SER 688 Cb -0.10 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2wvx s SER 688 CO 0.44 -0.14 -0.08 -0.22 0.41 0.00 0.00 173.24 173.65 2wvx s LEU 689 N -1.69 1.19 -0.21 2.44 2.96 -0.20 -1.10 118.68 122.08 2wvx s LEU 689 Ca -0.05 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 2wvx s LEU 689 Cb -0.10 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 2wvx s LEU 689 CO 0.01 -0.11 0.33 -0.69 -1.32 0.00 0.00 176.35 174.57 2wvx s VAL 690 N 1.66 5.24 -0.42 1.68 1.01 -0.45 -0.47 120.40 128.66 2wvx s VAL 690 Ca 0.04 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 2wvx s VAL 690 Cb -0.13 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2wvx s VAL 690 CO -0.08 0.28 0.28 -0.63 0.00 0.00 0.00 175.10 174.95 2wvx s ILE 691 N 1.24 4.61 -0.37 2.22 1.01 0.15 -0.44 121.20 129.61 2wvx s ILE 691 Ca 0.16 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 2wvx s ILE 691 Cb -0.14 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2wvx s ILE 691 CO 0.07 -0.44 0.18 -0.62 0.00 0.00 0.00 174.94 174.13 2wvx s ASP 692 N 2.04 5.56 -0.55 3.58 2.15 0.82 -1.46 116.67 128.82 2wvx s ASP 692 Ca 0.03 -1.15 0.07 0.00 0.43 0.00 0.00 52.55 51.92 2wvx s ASP 692 Cb -0.22 -1.96 0.27 0.00 -0.30 0.00 0.00 42.92 40.71 2wvx s ASP 692 CO 0.05 -0.40 0.72 0.00 -0.17 0.00 0.00 175.17 175.38 2wvx n ALA 693 N 4.91 3.61 0.25 3.66 0.00 0.20 -1.00 120.51 132.14 2wvx n ALA 693 Ca -0.12 -4.32 0.09 0.00 0.00 0.00 0.00 53.44 49.09 2wvx n ALA 693 Cb 0.45 -0.85 0.64 0.00 0.00 0.00 0.00 19.45 19.68 2wvx n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wvx h PRO 694 N 3.85 0.00 -0.34 0.00 0.13 -1.77 -1.15 132.00 132.73 2wvx h PRO 694 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2wvx h PRO 694 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2wvx h PRO 694 CO 0.72 0.10 0.00 -1.71 -0.23 0.00 0.00 178.00 176.88 2wvx n ASN 695 N -4.19 2.02 -4.69 1.44 5.15 -1.26 -4.95 115.26 108.78 2wvx n ASN 695 Ca -0.03 -1.93 -0.40 0.00 -0.60 0.00 0.00 54.58 51.62 2wvx n ASN 695 Cb 0.18 -0.22 0.03 0.00 -0.53 0.00 0.00 39.78 39.23 2wvx n ASN 695 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2wvx n ASN 696 N 0.59 2.16 -3.27 1.20 2.85 -0.43 -4.74 115.26 113.62 2wvx n ASN 696 Ca 0.14 1.02 -0.05 0.00 -0.11 0.00 0.00 54.58 55.58 2wvx n ASN 696 Cb 0.34 -1.49 0.02 0.00 1.24 0.00 0.00 39.78 39.89 2wvx n ASN 696 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2wvx s SER 697 N -0.76 -0.03 0.39 1.20 1.04 -1.25 -4.87 113.70 109.43 2wvx s SER 697 Ca 0.66 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 56.37 2wvx s SER 697 Cb -0.48 0.64 0.86 0.00 0.10 0.00 0.00 66.02 67.15 2wvx s SER 697 CO 0.54 -1.25 1.96 0.74 0.98 0.00 0.00 173.24 176.21 2wvx h THR 698 N 2.00 0.96 0.00 2.02 2.02 -1.96 -2.81 112.91 115.14 2wvx h THR 698 Ca -0.29 -0.21 -0.22 0.00 0.77 0.00 0.00 66.41 66.47 2wvx h THR 698 Cb 1.23 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 2wvx h THR 698 CO 0.36 0.11 -1.60 -0.62 0.37 0.00 0.00 175.52 174.14 2wvx n GLU 699 N -4.48 0.63 -2.84 6.66 4.71 -1.26 -4.62 120.64 119.43 2wvx n GLU 699 Ca 0.10 0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 57.05 2wvx n GLU 699 Cb 0.29 -1.78 0.01 0.00 -1.01 0.00 0.00 31.44 28.95 2wvx n GLU 699 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2wvx n ASN 700 N -2.92 5.80 -0.93 1.62 5.03 -1.06 -4.24 115.26 118.56 2wvx n ASN 700 Ca -0.14 -3.23 0.10 0.00 0.87 0.00 0.00 54.58 52.18 2wvx n ASN 700 Cb 0.93 -1.37 0.16 0.00 -1.02 0.00 0.00 39.78 38.47 2wvx n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2wvx n PHE 701 N 2.65 0.33 -3.51 3.10 1.16 -1.12 -3.83 117.46 116.24 2wvx n PHE 701 Ca 0.31 -0.20 -0.32 0.00 -1.87 0.00 0.00 57.45 55.37 2wvx n PHE 701 Cb 0.36 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.17 2wvx n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2wvx s TYR 702 N -1.39 3.48 -0.39 2.97 2.02 -0.56 -4.72 117.35 118.76 2wvx s TYR 702 Ca 0.30 0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 57.58 2wvx s TYR 702 Cb 0.18 -2.18 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2wvx s TYR 702 CO 0.26 0.37 0.62 0.42 -1.57 0.00 0.00 175.55 175.64 2wvx s ILE 703 N -1.68 4.88 0.01 2.71 1.01 -1.26 -0.61 121.20 126.26 2wvx s ILE 703 Ca 0.43 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 2wvx s ILE 703 Cb -0.12 -4.12 -0.35 0.00 0.01 0.00 0.00 42.46 37.88 2wvx s ILE 703 CO 0.22 -0.43 0.95 -0.78 0.00 0.00 0.00 174.94 174.90 2wvx h ASP 704 N 8.65 0.80 -0.16 3.58 3.58 -0.84 -3.40 116.42 128.63 2wvx h ASP 704 Ca -0.26 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.26 2wvx h ASP 704 Cb 1.11 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2wvx h ASP 704 CO 0.85 1.70 0.00 -1.54 -2.88 0.00 0.00 179.24 177.37 2wvx n SER 705 N -3.74 0.00 -3.52 2.28 3.41 -1.21 -4.92 113.62 105.92 2wvx n SER 705 Ca -0.18 -0.14 -0.14 0.00 -0.26 0.00 0.00 58.87 58.16 2wvx n SER 705 Cb 1.08 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 2wvx n SER 705 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wvx s SER 707 N 1.44 -0.52 -0.22 4.04 1.04 0.06 -0.77 113.70 118.77 2wvx s SER 707 Ca 0.00 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.86 2wvx s SER 707 Cb 0.00 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.64 2wvx s SER 707 CO 0.00 -0.57 -0.01 0.12 0.98 0.00 0.00 173.24 173.76 2wvx s PHE 708 N -1.72 1.73 -1.40 5.02 2.19 -0.06 -0.88 117.98 122.85 2wvx s PHE 708 Ca -0.05 -1.33 -0.01 0.00 0.33 0.00 0.00 56.93 55.88 2wvx s PHE 708 Cb -0.00 -1.32 0.00 0.00 -1.31 0.00 0.00 43.02 40.39 2wvx s PHE 708 CO 0.02 -0.70 0.41 0.09 1.83 0.00 0.00 175.22 176.88 2wvx n ASN 709 N 4.86 -0.45 0.00 6.13 5.03 0.42 -1.97 115.26 129.28 2wvx n ASN 709 Ca -0.10 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2wvx n ASN 709 Cb 0.45 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.22 2wvx n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvx n GLY 710 N -2.00 2.14 3.78 7.41 0.00 -1.26 -5.02 105.19 110.24 2wvx n GLY 710 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2wvx n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvx s ALA 711 N -3.38 3.73 0.30 4.61 0.00 -0.83 -5.06 121.76 121.14 2wvx s ALA 711 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2wvx s ALA 711 Cb 0.00 -2.15 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 2wvx s ALA 711 CO 0.00 0.30 1.39 -3.47 0.00 0.00 0.00 175.76 173.98 2wvx n ASP 712 N 2.99 2.98 -3.74 0.00 2.03 -1.26 -0.88 116.55 118.66 2wvx n ASP 712 Ca -0.17 1.18 -0.30 0.00 0.52 0.00 0.00 54.79 56.02 2wvx n ASP 712 Cb 0.53 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.30 2wvx n ASP 712 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wvx s HIS 713 N -0.58 1.88 -2.59 -0.67 5.65 -1.26 -4.82 115.29 112.90 2wvx s HIS 713 Ca 0.61 -1.98 0.26 0.00 0.25 0.00 0.00 55.06 54.20 2wvx s HIS 713 Cb -0.58 -1.82 0.64 0.00 -1.18 0.00 0.00 32.58 29.64 2wvx s HIS 713 CO 0.56 -0.86 1.51 0.25 -0.65 0.00 0.00 174.74 175.55 2wvx n THR 714 N 4.48 0.00 -2.40 0.89 -2.24 -1.26 -4.67 114.28 109.08 2wvx n THR 714 Ca 0.01 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 2wvx n THR 714 Cb 0.40 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2wvx n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvx s LYS 715 N -2.08 3.82 -0.11 -0.78 1.02 -1.26 -3.37 119.74 116.98 2wvx s LYS 715 Ca 0.32 1.59 0.05 0.00 0.02 0.00 0.00 55.97 57.95 2wvx s LYS 715 Cb 0.20 -2.32 0.32 0.00 -0.52 0.00 0.00 37.83 35.51 2wvx s LYS 715 CO 0.35 -0.45 1.07 0.09 -0.92 0.00 0.00 175.35 175.48 2wvx n ASN 716 N -0.58 2.98 -3.66 2.83 5.03 -0.07 -4.88 115.26 116.91 2wvx n ASN 716 Ca 0.08 -2.42 -0.12 0.00 0.87 0.00 0.00 54.58 52.99 2wvx n ASN 716 Cb 0.50 -0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 2wvx n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2wvx s TYR 717 N -1.65 -0.23 0.09 3.10 1.13 -1.26 -4.47 117.35 114.05 2wvx s TYR 717 Ca 0.22 0.08 0.08 0.00 -1.41 0.00 0.00 57.07 56.05 2wvx s TYR 717 Cb 0.17 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2wvx s TYR 717 CO 0.06 -0.62 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.78 2wvx s LEU 718 N -2.33 2.62 -0.13 -3.49 1.43 0.23 -4.95 118.68 112.07 2wvx s LEU 718 Ca -0.02 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2wvx s LEU 718 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2wvx s LEU 718 CO -0.06 0.21 0.11 -0.13 0.23 0.00 0.00 176.35 176.71 2wvx s ARG 719 N -1.87 3.52 0.21 1.70 0.52 -1.26 -0.75 118.95 121.02 2wvx s ARG 719 Ca 0.16 -0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 2wvx s ARG 719 Cb -0.10 -3.16 0.22 0.00 0.52 0.00 0.00 34.95 32.42 2wvx s ARG 719 CO 0.08 0.66 1.61 1.25 0.02 0.00 0.00 175.30 178.92 2wvx h HIS 720 N 5.37 -0.51 -0.04 -0.53 -0.00 -0.82 -1.32 115.15 117.31 2wvx h HIS 720 Ca -0.51 0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 59.84 2wvx h HIS 720 Cb 1.21 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.93 2wvx h HIS 720 CO 0.70 -0.31 -0.34 0.93 -0.00 0.00 0.00 177.93 178.91 2wvx h GLU 721 N -0.05 0.07 -0.34 5.26 3.07 -1.95 -1.58 114.58 119.06 2wvx h GLU 721 Ca 0.29 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 2wvx h GLU 721 Cb 0.50 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2wvx h GLU 721 CO -0.68 0.41 -0.27 -0.44 -1.40 0.00 0.00 179.01 176.63 2wvx h ASP 722 N 0.07 0.83 -0.55 1.42 3.32 -1.69 -2.69 116.42 117.12 2wvx h ASP 722 Ca 0.01 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2wvx h ASP 722 Cb 0.64 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2wvx h ASP 722 CO 0.05 1.10 0.33 -0.07 -1.72 0.00 0.00 179.24 178.93 2wvx h LEU 723 N 0.56 0.67 -2.15 1.55 3.38 -0.87 -2.62 115.31 115.83 2wvx h LEU 723 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wvx h LEU 723 Cb 0.84 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wvx h LEU 723 CO 0.07 0.54 -0.07 -0.26 0.09 0.00 0.00 178.44 178.81 2wvx h PHE 724 N 0.74 0.00 0.00 1.13 -1.00 -1.21 0.12 116.94 116.72 2wvx h PHE 724 Ca 0.20 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 2wvx h PHE 724 Cb -0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2wvx h PHE 724 CO -0.02 0.07 -0.01 0.87 -1.61 0.00 0.00 178.31 177.61 2wvx h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.12 -3.44 116.57 115.09 2wvx h LYS 725 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wvx h LYS 725 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wvx h LYS 725 CO 0.01 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2wvx n GLY 726 N 0.45 -2.10 0.00 3.86 0.00 0.03 -4.83 105.19 102.60 2wvx n GLY 726 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2wvx n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvx n GLY 727 N -0.03 0.37 2.89 -0.02 0.00 -0.26 -4.93 105.19 103.22 2wvx n GLY 727 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2wvx n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wvx s THR 728 N 0.00 0.00 -0.12 2.61 2.01 -1.26 -1.34 115.64 117.55 2wvx s THR 728 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.99 2wvx s THR 728 Cb 0.00 -0.04 -0.00 0.00 0.01 0.00 0.00 72.50 72.46 2wvx s THR 728 CO 0.00 -0.01 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.10 2wvx s ILE 729 N -0.03 2.48 -0.13 1.82 1.01 0.41 -0.44 121.20 126.33 2wvx s ILE 729 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2wvx s ILE 729 Cb -0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2wvx s ILE 729 CO 0.00 0.54 -0.02 -0.54 0.00 0.00 0.00 174.94 174.92 2wvx s LYS 730 N 0.43 3.41 -0.19 2.79 1.02 -0.06 -0.13 119.74 127.00 2wvx s LYS 730 Ca -0.14 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2wvx s LYS 730 Cb -0.17 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2wvx s LYS 730 CO 0.06 0.41 -0.08 0.08 -0.92 0.00 0.00 175.35 174.91 2wvx s VAL 731 N -0.10 1.43 0.80 3.17 1.01 -0.17 -0.76 120.40 125.78 2wvx s VAL 731 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 2wvx s VAL 731 Cb -0.13 -1.58 0.12 0.00 0.00 0.00 0.00 36.38 34.79 2wvx s VAL 731 CO 0.02 0.10 1.13 -1.81 0.00 0.00 0.00 175.10 174.54 2wvx s ASP 732 N 1.48 4.18 0.00 3.32 1.11 0.05 -4.36 116.67 122.45 2wvx s ASP 732 Ca -0.01 0.31 0.00 0.00 0.18 0.00 0.00 52.55 53.02 2wvx s ASP 732 Cb -0.16 -0.71 0.00 0.00 1.07 0.00 0.00 42.92 43.12 2wvx s ASP 732 CO -0.08 -2.03 0.00 -0.24 1.18 0.00 0.00 175.17 174.01 2wvx n SER 734 N -3.22 0.00 -0.30 0.27 2.88 0.22 -0.11 113.62 113.35 2wvx n SER 734 Ca 0.11 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.79 2wvx n SER 734 Cb 0.60 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.68 2wvx n SER 734 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2wvx n ASN 735 N 0.00 0.93 -4.19 -3.46 6.94 -1.26 -1.49 115.26 112.74 2wvx n ASN 735 Ca 0.00 -1.39 -0.24 0.00 -0.02 0.00 0.00 54.58 52.93 2wvx n ASN 735 Cb 0.00 -0.02 -0.14 0.00 -2.36 0.00 0.00 39.78 37.26 2wvx n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wvx s ARG 736 N -1.96 1.30 0.50 -3.83 1.81 -1.26 -4.92 118.95 110.58 2wvx s ARG 736 Ca 0.38 -0.76 -0.21 0.00 -1.72 0.00 0.00 55.73 53.43 2wvx s ARG 736 Cb 0.20 -1.32 -0.07 0.00 -0.45 0.00 0.00 34.95 33.31 2wvx s ARG 736 CO 0.32 0.35 1.13 -1.25 -0.68 0.00 0.00 175.30 175.16 2wvx s PRO 737 N -0.82 3.60 -0.44 3.54 0.04 -1.26 -4.81 135.00 134.85 2wvx s PRO 737 Ca 0.06 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 2wvx s PRO 737 Cb -0.08 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2wvx s PRO 737 CO 0.01 -0.65 0.34 1.21 0.04 0.00 0.00 177.00 177.95 2wvx s ASN 738 N -1.62 6.09 0.00 6.66 3.84 -1.26 -4.95 114.94 123.70 2wvx s ASN 738 Ca 0.68 -1.16 0.29 0.00 0.21 0.00 0.00 52.86 52.88 2wvx s ASN 738 Cb -0.25 -2.16 1.72 0.00 -0.55 0.00 0.00 41.25 40.01 2wvx s ASN 738 CO 0.29 -0.55 2.11 0.18 -2.79 0.00 0.00 177.10 176.34 2wvx n LEU 739 N 5.16 0.05 -0.01 3.21 4.32 -1.26 -3.27 117.00 125.20 2wvx n LEU 739 Ca -0.12 -0.02 0.10 0.00 -0.02 0.00 0.00 56.01 55.96 2wvx n LEU 739 Cb 0.45 -0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.10 2wvx n LEU 739 CO 0.44 0.01 -0.63 0.59 -1.22 0.00 0.00 177.39 176.58 2wvx n ASN 740 N -0.92 0.46 -4.75 -1.43 5.03 -1.26 -4.95 115.26 107.44 2wvx n ASN 740 Ca 0.22 -0.15 -0.39 0.00 0.87 0.00 0.00 54.58 55.13 2wvx n ASN 740 Cb 0.11 1.78 -0.06 0.00 -1.02 0.00 0.00 39.78 40.59 2wvx n ASN 740 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2wvx s ARG 741 N -3.32 4.31 -0.18 3.52 3.52 -1.20 -4.20 118.95 121.39 2wvx s ARG 741 Ca -0.05 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2wvx s ARG 741 Cb 0.13 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2wvx s ARG 741 CO 0.84 0.31 0.07 0.41 -0.81 0.00 0.00 175.30 176.12 2wvx n GLY 742 N 2.66 0.55 0.00 8.12 0.00 -1.22 -4.74 105.19 110.55 2wvx n GLY 742 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2wvx n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvx n THR 743 N -3.35 0.02 -3.00 2.61 -2.24 -1.26 -4.52 114.28 102.54 2wvx n THR 743 Ca -0.01 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 2wvx n THR 743 Cb 0.51 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 2wvx n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wvx s LYS 744 N -0.02 3.71 0.24 -0.78 3.01 -1.26 -4.92 119.74 119.72 2wvx s LYS 744 Ca 0.00 0.29 -0.05 0.00 -1.01 0.00 0.00 55.97 55.20 2wvx s LYS 744 Cb 0.00 -2.47 0.42 0.00 -1.01 0.00 0.00 37.83 34.76 2wvx s LYS 744 CO 0.00 0.04 1.72 1.49 0.51 0.00 0.00 175.35 179.11 2wvx h GLU 745 N 1.32 0.39 0.00 1.68 4.22 -2.03 0.18 114.58 120.34 2wvx h GLU 745 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2wvx h GLU 745 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2wvx h GLU 745 CO 0.64 0.26 0.00 -0.85 -2.18 0.00 0.00 179.01 176.88 2wvx n GLU 746 N -5.03 0.03 -1.74 1.92 0.28 -1.26 -4.88 120.64 109.96 2wvx n GLU 746 Ca 0.13 0.24 -0.40 0.00 -0.16 0.00 0.00 57.16 56.97 2wvx n GLU 746 Cb 0.39 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 2wvx n GLU 746 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2wvx n ASP 747 N -1.46 8.32 -4.81 -1.84 8.00 0.05 -4.86 116.55 119.95 2wvx n ASP 747 Ca 0.04 -2.93 -0.32 0.00 0.71 0.00 0.00 54.79 52.29 2wvx n ASP 747 Cb 0.16 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 2wvx n ASP 747 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2wvx s PRO 749 N 0.05 2.22 0.26 -0.24 0.02 -1.26 -0.90 135.00 135.16 2wvx s PRO 749 Ca 0.60 -2.33 -0.30 0.00 0.02 0.00 0.00 61.00 58.99 2wvx s PRO 749 Cb 0.18 -1.66 -0.10 0.00 0.02 0.00 0.00 34.50 32.94 2wvx s PRO 749 CO -0.08 -0.46 1.46 -0.47 -0.33 0.00 0.00 177.00 177.12 2wvx s TYR 750 N -2.87 2.97 -0.02 6.54 5.04 -1.26 -5.03 117.35 122.71 2wvx s TYR 750 Ca 0.11 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 55.75 2wvx s TYR 750 Cb 0.00 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.46 2wvx s TYR 750 CO 0.06 -2.79 -0.05 -1.12 -1.34 0.00 0.00 175.55 170.31 2wvx s SER 751 N 0.34 0.80 0.33 4.32 0.01 -1.26 -4.61 113.70 113.63 2wvx s SER 751 Ca 0.59 -0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.81 2wvx s SER 751 Cb -0.43 -0.25 0.74 0.00 0.21 0.00 0.00 66.02 66.28 2wvx s SER 751 CO 0.45 0.01 1.86 0.15 0.41 0.00 0.00 173.24 176.12 2wvx h PHE 752 N 6.60 0.92 0.00 2.43 3.57 -1.15 -1.21 116.94 128.10 2wvx h PHE 752 Ca -0.34 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 2wvx h PHE 752 Cb 1.17 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2wvx h PHE 752 CO 0.46 0.35 -0.22 0.77 -2.23 0.00 0.00 178.31 177.44 2wvx h SER 753 N 0.79 0.00 0.84 0.41 0.02 -1.91 -1.61 113.55 112.08 2wvx h SER 753 Ca 0.46 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.17 2wvx h SER 753 Cb 0.64 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2wvx h SER 753 CO -0.22 0.22 -1.14 0.11 -1.14 0.00 0.00 176.83 174.65 2wvx h LYS 754 N 0.00 0.09 0.74 3.45 1.57 -1.64 -3.33 116.57 117.45 2wvx h LYS 754 Ca -0.00 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2wvx h LYS 754 Cb 0.42 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2wvx h LYS 754 CO 0.03 1.04 -0.36 1.49 -0.57 0.00 0.00 179.45 181.08 2wvx h GLU 755 N 0.02 -0.96 0.00 3.15 4.81 -1.07 -3.50 114.58 117.04 2wvx h GLU 755 Ca -0.07 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wvx h GLU 755 Cb 1.86 0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.45 2wvx h GLU 755 CO 0.15 -0.64 0.00 1.28 -0.73 0.00 0.00 179.01 179.07