#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 3.40 -0.01 3.14 2.15 -1.26 -4.96 116.67 119.12 2wvx s ASP 21 Ca 0.00 -0.44 0.09 0.00 0.43 0.00 0.00 52.55 52.63 2wvx s ASP 21 Cb 0.00 -1.14 -0.14 0.00 -0.30 0.00 0.00 42.92 41.35 2wvx s ASP 21 CO 0.00 0.22 0.23 0.79 -0.17 0.00 0.00 175.17 176.24 2wvx n TRP 22 N 3.12 0.00 0.20 -5.34 7.02 -1.26 -4.58 117.44 116.59 2wvx n TRP 22 Ca -0.18 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.44 2wvx n TRP 22 Cb 0.52 -0.18 0.73 0.00 -2.42 0.00 0.00 31.31 29.97 2wvx n TRP 22 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wvx h THR 23 N 0.00 0.76 -0.37 -0.99 1.35 -1.93 -1.67 112.91 110.06 2wvx h THR 23 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 2wvx h THR 23 Cb 0.39 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2wvx h THR 23 CO 0.00 0.00 0.33 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 -1.32 115.11 119.56 2wvx h GLN 24 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2wvx h GLN 24 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 2wvx h GLN 24 CO -0.00 0.00 -0.40 0.66 0.09 0.00 0.00 178.83 179.18 2wvx n TYR 25 N -4.04 0.00 -2.91 0.06 4.01 -0.63 -4.88 117.16 108.78 2wvx n TYR 25 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 2wvx n TYR 25 Cb 0.50 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.96 4.89 -0.45 -0.72 1.01 -0.50 -4.21 120.40 117.46 2wvx s VAL 26 Ca 0.13 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.60 2wvx s VAL 26 Cb 0.18 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.56 2wvx s VAL 26 CO 0.66 0.03 0.31 0.21 0.00 0.00 0.00 175.10 176.31 2wvx s ASN 27 N 1.17 5.63 0.11 3.32 2.47 -1.26 -4.79 114.94 121.57 2wvx s ASN 27 Ca 0.37 -1.87 0.16 0.00 0.42 0.00 0.00 52.86 51.93 2wvx s ASN 27 Cb -0.16 -1.98 0.68 0.00 -1.45 0.00 0.00 41.25 38.34 2wvx s ASN 27 CO 0.12 -0.65 1.48 -2.65 -3.72 0.00 0.00 177.10 171.68 2wvx n PRO 28 N 4.86 0.07 -2.83 0.43 -0.02 -1.26 -4.90 135.00 131.36 2wvx n PRO 28 Ca -0.07 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 2wvx n PRO 28 Cb 0.41 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 -3.57 4.04 0.00 2.45 1.43 -1.26 -3.72 118.68 118.04 2wvx s LEU 29 Ca 0.04 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2wvx s LEU 29 Cb 0.08 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2wvx s LEU 29 CO 0.26 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.30 2wvx n GLY 31 N 5.03 0.00 0.17 -3.19 0.00 0.11 -4.39 105.19 102.92 2wvx n GLY 31 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.03 1.61 4.64 -1.60 -1.20 113.55 113.98 2wvx h SER 32 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 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 0.00 -0.03 -1.58 -0.87 0.00 0.00 176.83 174.35 2wvx s GLN 33 N -3.16 3.06 -0.10 4.77 0.74 -0.77 -1.31 119.66 122.88 2wvx s GLN 33 Ca 0.09 -1.57 -0.30 0.00 0.05 0.00 0.00 55.36 53.63 2wvx s GLN 33 Cb 0.08 -4.30 0.09 0.00 1.10 0.00 0.00 33.01 29.97 2wvx s GLN 33 CO 0.64 -1.44 0.77 0.45 -0.55 0.00 0.00 175.29 175.16 2wvx s SER 34 N 3.54 -0.59 0.19 6.67 0.15 -1.26 -4.17 113.70 118.23 2wvx s SER 34 Ca 0.08 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.47 2wvx s SER 34 Cb -0.26 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2wvx s SER 34 CO 0.04 -0.50 -0.04 0.42 1.20 0.00 0.00 173.24 174.36 2wvx s THR 35 N -1.00 0.99 0.22 6.45 -4.23 -1.12 -4.94 115.64 112.01 2wvx s THR 35 Ca -0.07 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 2wvx s THR 35 Cb -0.01 -2.12 0.17 0.00 1.34 0.00 0.00 72.50 71.89 2wvx s THR 35 CO 0.07 -0.51 1.72 0.15 -0.54 0.00 0.00 174.62 175.52 2wvx h PHE 36 N 2.63 0.36 0.00 3.99 3.57 -2.02 -2.74 116.94 122.72 2wvx h PHE 36 Ca -0.37 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2wvx h PHE 36 Cb 1.21 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 2wvx h PHE 36 CO 0.59 0.04 -0.07 0.93 -2.23 0.00 0.00 178.31 177.57 2wvx h GLU 37 N 0.36 0.00 -1.80 1.11 3.07 -1.97 -3.41 114.58 111.94 2wvx h GLU 37 Ca 0.34 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 2wvx h GLU 37 Cb 0.49 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.11 2wvx h GLU 37 CO -0.37 0.04 -0.50 -1.17 -1.40 0.00 0.00 179.01 175.61 2wvx s LEU 38 N -6.21 -0.70 0.16 1.33 2.96 -1.04 -4.22 118.68 110.96 2wvx s LEU 38 Ca 0.07 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2wvx s LEU 38 Cb 0.05 1.14 -0.07 0.00 0.50 0.00 0.00 46.19 47.81 2wvx s LEU 38 CO 0.68 -0.32 1.00 -0.55 -1.32 0.00 0.00 176.35 175.84 2wvx s SER 39 N 2.55 7.45 -0.20 3.68 0.15 -1.21 -2.80 113.70 123.33 2wvx s SER 39 Ca 0.12 1.93 0.13 0.00 0.70 0.00 0.00 55.95 58.82 2wvx s SER 39 Cb -0.14 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 61.97 2wvx s SER 39 CO -0.21 -0.07 1.23 0.35 1.20 0.00 0.00 173.24 175.74 2wvx n THR 40 N 2.36 2.16 0.00 6.45 -2.24 -1.26 -3.04 114.28 118.71 2wvx n THR 40 Ca 0.01 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 58.86 2wvx n THR 40 Cb 0.48 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.18 1.73 4.14 3.38 0.00 -0.91 -1.92 105.19 110.43 2wvx n GLY 41 Ca 0.20 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 -4.97 1.61 3.02 -0.96 -1.93 115.26 112.18 2wvx n ASN 42 Ca 0.00 -1.14 -0.19 0.00 -0.03 0.00 0.00 54.58 53.23 2wvx n ASN 42 Cb 0.00 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 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 -4.12 2.78 0.19 3.41 -4.23 -0.49 -4.59 115.64 108.59 2wvx s THR 43 Ca 0.04 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 2wvx s THR 43 Cb -0.03 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 2wvx s THR 43 CO 0.94 0.00 -0.09 -0.72 -0.54 0.00 0.00 174.62 174.21 2wvx s TYR 44 N -2.43 1.49 -0.73 3.99 1.13 -1.26 -4.04 117.35 115.51 2wvx s TYR 44 Ca 0.53 -0.74 -0.26 0.00 -1.41 0.00 0.00 57.07 55.19 2wvx s TYR 44 Cb -0.07 -0.77 -0.01 0.00 -1.10 0.00 0.00 41.96 40.01 2wvx s TYR 44 CO 0.32 0.15 1.69 -2.14 -2.51 0.00 0.00 175.55 173.05 2wvx s PRO 45 N -3.74 2.84 -0.62 -3.49 0.02 -1.24 -4.94 135.00 123.83 2wvx s PRO 45 Ca 0.21 0.09 -0.26 0.00 0.02 0.00 0.00 61.00 61.06 2wvx s PRO 45 Cb 0.02 -4.53 0.04 0.00 0.02 0.00 0.00 34.50 30.05 2wvx s PRO 45 CO 0.05 -2.64 1.14 0.00 -0.33 0.00 0.00 177.00 175.21 2wvx s ALA 46 N 8.02 2.98 -0.43 -1.55 0.00 -1.26 -4.44 121.76 125.08 2wvx s ALA 46 Ca 0.57 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 2wvx s ALA 46 Cb -0.09 -4.01 0.02 0.00 0.00 0.00 0.00 23.12 19.03 2wvx s ALA 46 CO 0.13 -2.78 0.69 0.42 0.00 0.00 0.00 175.76 174.22 2wvx s ILE 47 N 4.85 4.78 0.09 0.00 -1.09 -0.36 -4.79 121.20 124.68 2wvx s ILE 47 Ca 0.36 0.32 -0.26 0.00 -2.23 0.00 0.00 60.65 58.83 2wvx s ILE 47 Cb -0.10 -4.22 0.08 0.00 -1.58 0.00 0.00 42.46 36.64 2wvx s ILE 47 CO 0.20 -0.59 0.90 0.00 -1.23 0.00 0.00 174.94 174.22 2wvx s ALA 48 N 2.96 -1.71 0.57 9.38 0.00 -0.64 -1.75 121.76 130.59 2wvx s ALA 48 Ca 0.26 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 2wvx s ALA 48 Cb -0.13 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2wvx s ALA 48 CO 0.19 -0.88 0.93 1.03 0.00 0.00 0.00 175.76 177.04 2wvx s ARG 49 N -3.27 3.44 0.18 0.00 1.81 -1.26 -4.57 118.95 115.28 2wvx s ARG 49 Ca 0.08 0.44 -0.33 0.00 -1.72 0.00 0.00 55.73 54.20 2wvx s ARG 49 Cb -0.01 -2.20 -0.14 0.00 -0.45 0.00 0.00 34.95 32.14 2wvx s ARG 49 CO -0.03 -0.49 1.43 -2.30 -0.68 0.00 0.00 175.30 173.23 2wvx n PRO 50 N -2.58 1.83 -2.21 3.54 -0.02 -1.26 -1.18 135.00 133.11 2wvx n PRO 50 Ca 0.04 0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2wvx n PRO 50 Cb 0.55 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.52 -1.14 0.00 6.00 8.01 -0.21 -4.96 117.44 127.66 2wvx n TRP 51 Ca 0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 2wvx n TRP 51 Cb 0.28 -2.88 0.00 0.00 -2.01 0.00 0.00 31.31 26.70 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 -0.71 -2.80 1.66 6.99 0.00 -0.33 -0.93 105.19 109.06 2wvx n GLY 52 Ca -0.16 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 0.40 -4.93 1.61 3.02 -0.86 -4.26 115.26 110.24 2wvx n ASN 54 Ca 0.00 0.53 -0.27 0.00 -0.03 0.00 0.00 54.58 54.81 2wvx n ASN 54 Cb 0.00 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 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 0.99 3.48 -0.01 3.10 0.08 -0.95 -4.71 117.98 119.95 2wvx s PHE 55 Ca 0.46 0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.86 2wvx s PHE 55 Cb -0.65 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2wvx s PHE 55 CO 0.34 0.42 -0.20 -1.58 -0.10 0.00 0.00 175.22 174.10 2wvx s TRP 56 N -1.82 1.76 -0.03 0.36 0.52 -0.71 -0.87 118.94 118.15 2wvx s TRP 56 Ca 0.37 -0.33 -0.08 0.00 0.02 0.00 0.00 56.10 56.08 2wvx s TRP 56 Cb -0.11 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.09 2wvx s TRP 56 CO 0.29 -0.03 0.19 -0.08 0.02 0.00 0.00 176.95 177.34 2wvx s THR 57 N -0.47 0.04 0.44 2.01 -1.32 -0.09 -1.23 115.64 115.03 2wvx s THR 57 Ca 0.08 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.94 2wvx s THR 57 Cb -0.08 -0.39 -0.09 0.00 -1.51 0.00 0.00 72.50 70.43 2wvx s THR 57 CO -0.01 -0.20 1.46 -2.16 -2.21 0.00 0.00 174.62 171.50 2wvx s PRO 58 N -0.71 3.76 -0.26 7.08 0.04 -1.26 -0.60 135.00 143.05 2wvx s PRO 58 Ca -0.08 2.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 2wvx s PRO 58 Cb -0.05 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.81 2wvx s PRO 58 CO 0.01 -0.78 -0.05 -1.14 0.04 0.00 0.00 177.00 175.09 2wvx s GLN 59 N -2.38 2.68 -0.15 4.56 0.74 0.48 -4.59 119.66 121.00 2wvx s GLN 59 Ca 0.59 -1.09 0.13 0.00 0.05 0.00 0.00 55.36 55.05 2wvx s GLN 59 Cb -0.45 -3.04 -0.24 0.00 1.10 0.00 0.00 33.01 30.38 2wvx s GLN 59 CO 0.59 -0.48 0.24 0.25 -0.55 0.00 0.00 175.29 175.35 2wvx n THR 60 N 4.64 1.49 -1.54 -0.34 -2.24 0.60 -1.10 114.28 115.80 2wvx n THR 60 Ca -0.15 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.53 2wvx n THR 60 Cb 0.46 -0.81 0.09 0.00 -2.10 0.00 0.00 70.33 67.96 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 -5.48 1.63 0.00 3.38 0.00 -0.24 -4.71 107.32 101.90 2wvx s GLY 61 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2wvx s GLY 61 CO 0.80 0.26 0.07 0.28 0.00 0.00 0.00 173.10 174.51 2wvx n LYS 62 N -3.42 0.00 0.00 2.90 5.02 -1.26 -4.90 118.16 116.50 2wvx n LYS 62 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2wvx n LYS 62 Cb 0.56 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2wvx n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvx n GLY 64 N 1.93 0.00 3.70 0.72 0.00 -1.26 -4.88 105.19 105.40 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 -0.29 6.92 0.54 1.61 -1.08 -1.26 -4.90 116.67 118.20 2wvx s ASP 65 Ca 0.00 2.11 0.23 0.00 -0.52 0.00 0.00 52.55 54.37 2wvx s ASP 65 Cb 0.00 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.37 2wvx s ASP 65 CO 0.00 -0.63 2.16 1.23 0.52 0.00 0.00 175.17 178.45 2wvx h GLY 66 N 7.57 0.00 -6.95 2.66 0.00 -1.90 -3.19 103.07 101.27 2wvx h GLY 66 Ca -0.39 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.21 2wvx h GLY 66 CO 0.87 0.00 2.07 0.79 0.00 0.00 0.00 176.54 180.27 2wvx n TRP 67 N -4.11 3.90 0.19 5.60 8.01 -1.26 -4.38 117.44 125.40 2wvx n TRP 67 Ca -0.03 -3.00 0.08 0.00 -1.31 0.00 0.00 57.50 53.25 2wvx n TRP 67 Cb 0.13 -2.24 0.21 0.00 -2.01 0.00 0.00 31.31 27.40 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 6.47 0.00 -3.48 -0.99 3.07 -1.92 -3.35 115.11 114.90 2wvx h GLN 68 Ca 0.41 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.79 2wvx h GLN 68 Cb 0.74 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 27.93 2wvx h GLN 68 CO 1.54 0.26 -0.74 -0.47 0.09 0.00 0.00 178.83 179.50 2wvx s TYR 69 N -3.24 0.20 -0.03 0.06 5.04 -1.26 -0.29 117.35 117.83 2wvx s TYR 69 Ca 0.04 0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.84 2wvx s TYR 69 Cb 0.08 -0.48 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 2wvx s TYR 69 CO 0.68 -0.18 -0.17 0.95 -1.34 0.00 0.00 175.55 175.49 2wvx s THR 70 N 1.74 1.39 0.46 4.34 -4.23 -1.26 -4.77 115.64 113.31 2wvx s THR 70 Ca -0.00 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 2wvx s THR 70 Cb -0.12 -1.18 0.23 0.00 1.34 0.00 0.00 72.50 72.77 2wvx s THR 70 CO -0.03 0.40 2.05 0.22 -0.54 0.00 0.00 174.62 176.72 2wvx h TYR 71 N 5.99 0.16 -0.06 3.99 5.03 -1.57 -1.65 116.97 128.86 2wvx h TYR 71 Ca -0.35 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.96 2wvx h TYR 71 Cb 1.16 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.39 2wvx h TYR 71 CO 0.42 0.18 0.00 0.25 -1.32 0.00 0.00 178.16 177.69 2wvx n THR 72 N -4.43 0.07 -2.23 1.81 -2.24 -1.26 -4.88 114.28 101.12 2wvx n THR 72 Ca -0.01 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 2wvx n THR 72 Cb 0.15 0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.93 2.90 -0.15 6.98 0.00 -0.62 -4.96 121.76 123.98 2wvx s ALA 73 Ca 0.34 0.94 0.19 0.00 0.00 0.00 0.00 51.96 53.43 2wvx s ALA 73 Cb 0.17 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 2wvx s ALA 73 CO 0.27 -0.73 0.76 0.09 0.00 0.00 0.00 175.76 176.15 2wvx n ASN 74 N -0.70 0.64 -4.08 0.00 3.02 -1.26 -4.96 115.26 107.92 2wvx n ASN 74 Ca 0.08 0.27 -0.18 0.00 -0.03 0.00 0.00 54.58 54.72 2wvx n ASN 74 Cb 0.48 0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 40.14 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 -3.11 0.76 -0.12 3.52 1.02 -1.26 -1.55 119.74 118.99 2wvx s LYS 75 Ca -0.04 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.32 2wvx s LYS 75 Cb 0.10 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 2wvx s LYS 75 CO 0.82 0.18 0.04 0.42 -0.92 0.00 0.00 175.35 175.89 2wvx s ILE 76 N -0.72 4.66 -0.10 2.17 1.01 -0.48 -4.31 121.20 123.43 2wvx s ILE 76 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2wvx s ILE 76 Cb -0.07 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2wvx s ILE 76 CO 0.01 0.56 0.58 -2.11 0.00 0.00 0.00 174.94 173.98 2wvx n ARG 77 N 2.60 -0.45 -3.63 2.79 1.85 -0.26 -1.10 116.66 118.46 2wvx n ARG 77 Ca -0.18 -0.66 -0.03 0.00 -1.00 0.00 0.00 57.85 55.98 2wvx n ARG 77 Cb 0.53 -1.02 -0.02 0.00 -1.05 0.00 0.00 32.46 30.91 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 -0.17 -0.21 -0.22 2.89 0.00 -1.23 -4.80 107.32 103.57 2wvx s GLY 78 Ca 0.01 1.88 -0.04 0.00 0.00 0.00 0.00 44.72 46.57 2wvx s GLY 78 CO 0.01 0.64 -0.03 -1.36 0.00 0.00 0.00 173.10 172.36 2wvx s PHE 79 N -2.08 2.98 -0.05 1.90 0.40 0.68 -0.39 117.98 121.42 2wvx s PHE 79 Ca 0.11 -0.89 0.07 0.00 -0.60 0.00 0.00 56.93 55.61 2wvx s PHE 79 Cb -0.01 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2wvx s PHE 79 CO -0.03 -0.53 -0.25 0.21 0.70 0.00 0.00 175.22 175.31 2wvx s LYS 80 N 1.49 2.45 -0.06 0.44 2.20 0.23 -1.34 119.74 125.15 2wvx s LYS 80 Ca 0.06 -0.91 -0.25 0.00 -0.36 0.00 0.00 55.97 54.51 2wvx s LYS 80 Cb -0.14 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.01 2wvx s LYS 80 CO -0.03 0.42 0.76 -1.14 -0.36 0.00 0.00 175.35 175.01 2wvx s GLN 81 N -0.26 4.45 0.04 4.03 0.74 -0.12 -0.91 119.66 127.62 2wvx s GLN 81 Ca -0.01 0.99 -0.00 0.00 0.05 0.00 0.00 55.36 56.39 2wvx s GLN 81 Cb -0.13 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 2wvx s GLN 81 CO 0.03 0.01 -0.04 -0.08 -0.55 0.00 0.00 175.29 174.66 2wvx s THR 82 N 0.95 0.22 0.00 -0.34 -1.32 -0.05 -3.42 115.64 111.69 2wvx s THR 82 Ca 0.40 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2wvx s THR 82 Cb -0.18 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2wvx s THR 82 CO 0.19 -0.69 0.83 1.41 -2.21 0.00 0.00 174.62 174.15 2wvx n HIS 83 N 0.95 0.00 -2.02 9.09 8.25 -1.25 -2.24 115.22 127.99 2wvx n HIS 83 Ca -0.20 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.50 2wvx n HIS 83 Cb 0.57 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.69 4.25 0.19 -0.41 0.74 -1.26 -4.89 119.66 117.58 2wvx s GLN 84 Ca 0.00 2.24 0.23 0.00 0.05 0.00 0.00 55.36 57.88 2wvx s GLN 84 Cb 0.00 -3.31 0.09 0.00 1.10 0.00 0.00 33.01 30.89 2wvx s GLN 84 CO 0.00 -0.58 1.12 -1.00 -0.55 0.00 0.00 175.29 174.28 2wvx h PRO 85 N 7.20 0.00 -2.25 1.67 0.13 -1.91 -3.49 132.00 133.36 2wvx h PRO 85 Ca -0.42 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2wvx h PRO 85 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2wvx h PRO 85 CO 0.90 0.00 0.51 -1.54 -0.23 0.00 0.00 178.00 177.64 2wvx s SER 86 N -5.07 -0.35 0.51 1.44 1.04 -1.26 -4.63 113.70 105.38 2wvx s SER 86 Ca 0.01 -0.01 0.29 0.00 0.48 0.00 0.00 55.95 56.72 2wvx s SER 86 Cb 0.10 0.38 1.31 0.00 0.10 0.00 0.00 66.02 67.91 2wvx s SER 86 CO 0.77 -0.61 1.98 1.55 0.98 0.00 0.00 173.24 177.91 2wvx h PRO 87 N 2.00 0.00 -0.01 4.02 0.13 -1.81 -0.34 132.00 136.00 2wvx h PRO 87 Ca -0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 2wvx h PRO 87 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2wvx h PRO 87 CO 0.30 0.12 -0.44 -1.49 -0.23 0.00 0.00 178.00 176.27 2wvx h TRP 88 N 0.00 0.45 -0.31 1.56 4.06 -1.95 -3.27 115.95 116.48 2wvx h TRP 88 Ca -0.00 -0.24 -0.15 0.00 2.06 0.00 0.00 58.89 60.55 2wvx h TRP 88 Cb 0.51 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 2wvx h TRP 88 CO 0.00 1.05 -0.42 0.82 -3.56 0.00 0.00 178.44 176.33 2wvx h ILE 89 N -0.28 1.28 -0.77 1.49 1.08 -1.92 -3.50 117.51 114.90 2wvx h ILE 89 Ca -0.05 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2wvx h ILE 89 Cb 1.17 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2wvx h ILE 89 CO 0.09 0.52 0.00 -3.20 -0.69 0.00 0.00 178.15 174.87 2wvx n ASN 90 N -4.03 -2.32 -4.63 1.72 2.85 -0.15 -4.86 115.26 103.83 2wvx n ASN 90 Ca -0.02 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.21 2wvx n ASN 90 Cb 0.55 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.49 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 4.28 0.09 1.20 -1.08 -1.26 -4.29 116.67 111.61 2wvx s ASP 91 Ca 0.00 -0.88 -0.20 0.00 -0.52 0.00 0.00 52.55 50.95 2wvx s ASP 91 Cb 0.00 -0.61 0.05 0.00 -1.46 0.00 0.00 42.92 40.89 2wvx s ASP 91 CO 0.00 -0.16 0.48 -0.72 0.52 0.00 0.00 175.17 175.28 2wvx s TYR 92 N -2.46 -0.35 -0.93 -5.34 1.13 -1.26 -2.47 117.35 105.68 2wvx s TYR 92 Ca 0.34 0.21 -0.01 0.00 -1.41 0.00 0.00 57.07 56.20 2wvx s TYR 92 Cb -0.02 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.16 2wvx s TYR 92 CO 0.20 -0.69 0.78 0.41 -2.51 0.00 0.00 175.55 173.74 2wvx n GLY 93 N 0.07 -0.28 3.07 5.49 0.00 -1.22 -3.91 105.19 108.41 2wvx n GLY 93 Ca -0.17 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.91 1.81 0.22 1.61 -2.07 -1.26 -4.46 119.66 110.60 2wvx s GLN 94 Ca 0.06 -0.50 -0.16 0.00 -1.82 0.00 0.00 55.36 52.94 2wvx s GLN 94 Cb -0.01 -1.50 0.02 0.00 -1.09 0.00 0.00 33.01 30.43 2wvx s GLN 94 CO 0.58 0.10 0.53 -0.59 -1.32 0.00 0.00 175.29 174.59 2wvx s PHE 95 N 0.44 0.04 0.17 9.60 -0.71 -1.22 -4.53 117.98 121.76 2wvx s PHE 95 Ca -0.12 -0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 55.33 2wvx s PHE 95 Cb -0.14 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2wvx s PHE 95 CO 0.04 -0.98 0.16 -1.54 -1.34 0.00 0.00 175.22 171.56 2wvx s SER 96 N -2.93 0.17 0.32 1.98 1.04 -0.73 -0.94 113.70 112.61 2wvx s SER 96 Ca 0.14 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.44 2wvx s SER 96 Cb -0.01 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 2wvx s SER 96 CO 0.02 -0.83 0.17 0.00 0.98 0.00 0.00 173.24 173.58 2wvx n ILE 97 N -0.20 0.00 -4.12 -1.02 3.06 -0.45 -1.06 119.36 115.57 2wvx n ILE 97 Ca -0.03 -2.00 -0.15 0.00 -2.50 0.00 0.00 62.75 58.07 2wvx n ILE 97 Cb 0.64 0.83 -0.13 0.00 0.54 0.00 0.00 39.64 41.52 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 -3.23 0.47 0.21 9.51 0.04 -1.26 -0.23 135.00 140.51 2wvx s PRO 99 Ca 0.23 -0.43 -0.06 0.00 0.04 0.00 0.00 61.00 60.79 2wvx s PRO 99 Cb 0.01 -0.37 -0.02 0.00 0.04 0.00 0.00 34.50 34.16 2wvx s PRO 99 CO 0.17 0.09 0.27 0.96 0.04 0.00 0.00 177.00 178.52 2wvx s ILE 100 N -0.64 0.01 0.14 0.56 -4.36 -0.18 -4.95 121.20 111.78 2wvx s ILE 100 Ca -0.03 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2wvx s ILE 100 Cb -0.05 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 2wvx s ILE 100 CO 0.00 -0.07 -0.00 0.68 0.24 0.00 0.00 174.94 175.79 2wvx s VAL 101 N -4.08 0.51 0.00 8.37 -7.23 -1.26 -1.20 120.40 115.52 2wvx s VAL 101 Ca 0.29 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2wvx s VAL 101 Cb 0.04 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2wvx s VAL 101 CO 0.09 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 2wvx n GLY 102 N -0.14 0.82 3.81 2.32 0.00 -0.44 -4.92 105.19 106.64 2wvx n GLY 102 Ca -0.08 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 4.32 -0.58 1.61 -1.52 -1.26 -4.82 119.66 117.40 2wvx s GLN 103 Ca 0.00 0.93 -0.27 0.00 -1.95 0.00 0.00 55.36 54.07 2wvx s GLN 103 Cb 0.00 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 29.81 2wvx s GLN 103 CO 0.00 0.44 1.68 -1.25 -0.25 0.00 0.00 175.29 175.91 2wvx s PRO 104 N -1.76 2.94 -0.05 2.91 0.04 -1.26 -4.97 135.00 132.84 2wvx s PRO 104 Ca 0.41 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.08 2wvx s PRO 104 Cb -0.18 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.06 2wvx s PRO 104 CO 0.22 -2.37 -0.22 0.14 0.04 0.00 0.00 177.00 174.80 2wvx s VAL 105 N 7.72 2.33 -0.12 -0.36 -7.23 -1.26 -5.01 120.40 116.48 2wvx s VAL 105 Ca 0.61 -0.98 0.13 0.00 -1.81 0.00 0.00 61.98 59.93 2wvx s VAL 105 Cb -0.13 -1.86 -0.24 0.00 0.56 0.00 0.00 36.38 34.71 2wvx s VAL 105 CO 0.23 0.57 0.39 0.33 -0.31 0.00 0.00 175.10 176.30 2wvx n PHE 106 N 2.76 0.61 -1.63 2.82 7.35 -1.26 -4.73 117.46 123.37 2wvx n PHE 106 Ca -0.17 0.21 -0.48 0.00 -0.76 0.00 0.00 57.45 56.25 2wvx n PHE 106 Cb 0.52 -1.11 -0.04 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 -2.98 2.24 0.28 -2.13 -0.08 -1.26 -4.82 116.55 107.81 2wvx n ASP 107 Ca -0.25 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.31 2wvx n ASP 107 Cb 1.09 -1.33 0.78 0.00 2.34 0.00 0.00 41.12 44.00 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 4.45 0.00 0.09 -0.67 4.11 -1.93 -1.26 114.58 119.36 2wvx h GLU 108 Ca -0.45 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 2wvx h GLU 108 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2wvx h GLU 108 CO 0.78 0.07 -1.23 0.93 0.07 0.00 0.00 179.01 179.62 2wvx h GLU 109 N 0.00 0.19 0.00 1.06 5.08 -1.96 -3.34 114.58 115.61 2wvx h GLU 109 Ca -0.00 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2wvx h GLU 109 Cb 0.38 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2wvx h GLU 109 CO 0.01 1.15 -0.21 0.87 -1.00 0.00 0.00 179.01 179.83 2wvx h LYS 110 N -0.47 0.00 -0.00 2.33 1.57 -1.83 -2.59 116.57 115.57 2wvx h LYS 110 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2wvx h LYS 110 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2wvx h LYS 110 CO 0.02 0.21 -0.40 2.89 -0.57 0.00 0.00 179.45 181.60 2wvx n ARG 111 N -4.14 0.41 -1.99 3.15 1.85 -0.51 -4.96 116.66 110.48 2wvx n ARG 111 Ca -0.02 -0.25 -0.35 0.00 -1.00 0.00 0.00 57.85 56.23 2wvx n ARG 111 Cb 0.28 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.22 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 -2.76 2.54 -0.02 2.89 0.00 -0.98 -4.92 121.76 118.51 2wvx s ALA 112 Ca 0.17 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.01 2wvx s ALA 112 Cb 0.18 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 2wvx s ALA 112 CO 0.62 -1.12 -0.10 0.45 0.00 0.00 0.00 175.76 175.61 2wvx s SER 113 N -1.88 1.26 0.78 0.00 0.15 -0.26 -4.92 113.70 108.84 2wvx s SER 113 Ca 0.74 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 2wvx s SER 113 Cb -0.26 -0.24 0.07 0.00 -1.71 0.00 0.00 66.02 63.87 2wvx s SER 113 CO 0.34 0.10 1.22 0.26 1.20 0.00 0.00 173.24 176.36 2wvx s TRP 114 N -0.02 1.85 0.28 3.44 0.52 -1.26 -1.38 118.94 122.37 2wvx s TRP 114 Ca 0.00 1.64 -0.20 0.00 0.02 0.00 0.00 56.10 57.57 2wvx s TRP 114 Cb -0.07 -3.52 0.02 0.00 -1.15 0.00 0.00 33.47 28.75 2wvx s TRP 114 CO 0.00 -2.86 0.69 -0.59 0.02 0.00 0.00 176.95 174.21 2wvx s PHE 115 N -2.02 -0.10 0.08 -1.98 -0.71 -0.59 -2.14 117.98 110.51 2wvx s PHE 115 Ca 0.75 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 56.32 2wvx s PHE 115 Cb -0.30 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2wvx s PHE 115 CO 0.49 -1.21 -0.09 0.00 -1.34 0.00 0.00 175.22 173.06 2wvx s ALA 116 N -3.89 0.94 0.47 1.99 0.00 -1.26 -4.77 121.76 115.23 2wvx s ALA 116 Ca 0.13 -1.06 0.22 0.00 0.00 0.00 0.00 51.96 51.25 2wvx s ALA 116 Cb -0.05 0.04 1.32 0.00 0.00 0.00 0.00 23.12 24.42 2wvx s ALA 116 CO 0.07 -0.04 2.08 0.45 0.00 0.00 0.00 175.76 178.33 2wvx h HIS 117 N 3.85 0.00 0.00 0.00 3.86 -1.95 0.17 115.15 121.08 2wvx h HIS 117 Ca -0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 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 0.63 0.12 0.00 1.63 0.86 0.00 0.00 177.93 181.17 2wvx n LYS 118 N -4.02 0.04 -0.58 2.45 5.02 -1.26 -1.71 118.16 118.10 2wvx n LYS 118 Ca -0.02 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 2wvx n LYS 118 Cb 0.20 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.47 3.85 3.00 0.72 0.00 0.59 -4.99 105.19 108.85 2wvx n GLY 119 Ca 0.05 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.85 0.71 -0.14 1.61 2.12 -0.70 -1.44 118.70 118.02 2wvx s GLU 120 Ca 0.45 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2wvx s GLU 120 Cb 0.36 -0.69 0.02 0.00 0.26 0.00 0.00 34.13 34.09 2wvx s GLU 120 CO 0.10 0.16 -0.12 0.08 -0.54 0.00 0.00 175.26 174.94 2wvx s VAL 121 N -0.10 1.38 -0.20 3.70 1.01 0.43 -4.95 120.40 121.68 2wvx s VAL 121 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2wvx s VAL 121 Cb -0.04 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2wvx s VAL 121 CO -0.00 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 2wvx s ALA 122 N 1.56 2.40 0.28 5.51 0.00 -1.26 -0.66 121.76 129.59 2wvx s ALA 122 Ca 0.05 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2wvx s ALA 122 Cb -0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 2wvx s ALA 122 CO -0.10 -0.56 -0.00 0.95 0.00 0.00 0.00 175.76 176.05 2wvx s THR 123 N 1.25 1.29 0.51 0.00 -4.23 -0.10 -4.47 115.64 109.90 2wvx s THR 123 Ca 0.02 -2.05 0.35 0.00 -1.18 0.00 0.00 61.69 58.82 2wvx s THR 123 Cb -0.15 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.54 2wvx s THR 123 CO -0.11 -0.21 2.21 -0.65 -0.54 0.00 0.00 174.62 175.32 2wvx h PRO 124 N 2.29 0.00 -0.01 3.99 0.11 -1.86 -3.13 132.00 133.39 2wvx h PRO 124 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2wvx h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wvx h PRO 124 CO 0.67 0.03 -0.10 2.48 -0.21 0.00 0.00 178.00 180.87 2wvx n TYR 125 N -3.42 0.00 -3.64 0.65 4.11 -1.26 -1.61 117.16 111.99 2wvx n TYR 125 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.80 2wvx n TYR 125 Cb 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.42 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 -1.18 -0.69 -0.01 -3.48 5.04 -1.18 -4.19 117.35 111.65 2wvx s TYR 126 Ca 0.11 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.30 2wvx s TYR 126 Cb 0.09 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.80 2wvx s TYR 126 CO 0.20 -0.34 -0.07 -0.47 -1.34 0.00 0.00 175.55 173.53 2wvx s TYR 127 N 0.81 0.70 0.01 4.97 5.04 -1.26 -0.92 117.35 126.70 2wvx s TYR 127 Ca -0.03 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 2wvx s TYR 127 Cb -0.05 -0.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.77 2wvx s TYR 127 CO -0.09 -0.05 -0.02 0.21 -1.34 0.00 0.00 175.55 174.25 2wvx s LYS 128 N 0.04 0.20 -0.05 4.97 2.20 0.16 -4.20 119.74 123.07 2wvx s LYS 128 Ca -0.00 -0.21 -0.18 0.00 -0.36 0.00 0.00 55.97 55.21 2wvx s LYS 128 Cb -0.05 -0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2wvx s LYS 128 CO -0.00 0.02 0.41 0.54 -0.36 0.00 0.00 175.35 175.96 2wvx s VAL 129 N -0.40 0.04 -0.24 4.02 0.11 -0.66 -0.43 120.40 122.84 2wvx s VAL 129 Ca -0.03 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.62 2wvx s VAL 129 Cb -0.03 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 2wvx s VAL 129 CO -0.00 -0.17 0.15 -0.47 -3.33 0.00 0.00 175.10 171.29 2wvx s TYR 130 N -1.05 3.28 -0.53 1.54 5.04 -0.52 -1.50 117.35 123.61 2wvx s TYR 130 Ca -0.11 0.15 -0.16 0.00 -2.44 0.00 0.00 57.07 54.52 2wvx s TYR 130 Cb -0.04 -2.28 0.12 0.00 0.35 0.00 0.00 41.96 40.12 2wvx s TYR 130 CO 0.05 0.00 0.48 -0.51 -1.34 0.00 0.00 175.55 174.23 2wvx s LEU 131 N 1.18 6.11 0.44 6.97 1.43 0.47 -4.60 118.68 130.68 2wvx s LEU 131 Ca 0.07 -1.74 0.10 0.00 -1.03 0.00 0.00 54.13 51.53 2wvx s LEU 131 Cb -0.14 -2.20 0.97 0.00 0.03 0.00 0.00 46.19 44.85 2wvx s LEU 131 CO 0.05 -0.83 2.06 0.00 0.23 0.00 0.00 176.35 177.87 2wvx h ALA 132 N 8.86 1.82 0.00 4.21 0.00 -1.72 0.60 119.26 133.02 2wvx h ALA 132 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wvx h ALA 132 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wvx h ALA 132 CO 1.01 0.14 -0.21 0.93 0.00 0.00 0.00 179.25 181.13 2wvx h GLU 133 N 0.42 0.00 -0.00 0.00 5.08 -1.90 -3.30 114.58 114.89 2wvx h GLU 133 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wvx h GLU 133 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wvx h GLU 133 CO -0.03 0.00 -0.26 0.72 -1.00 0.00 0.00 179.01 178.44 2wvx n HIS 134 N -2.28 0.00 -3.61 4.33 8.25 -0.94 -4.95 115.22 116.03 2wvx n HIS 134 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 2wvx n HIS 134 Cb 0.44 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.93 -2.00 -4.13 0.41 2.03 0.16 -4.69 116.55 107.40 2wvx n ASP 135 Ca 0.02 -0.73 -0.24 0.00 0.52 0.00 0.00 54.79 54.36 2wvx n ASP 135 Cb 0.11 -4.50 -0.16 0.00 -0.72 0.00 0.00 41.12 35.86 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 -3.51 1.29 -0.13 5.18 1.01 -1.11 -3.52 121.20 120.40 2wvx s ILE 136 Ca 0.07 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2wvx s ILE 136 Cb -0.04 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2wvx s ILE 136 CO 0.78 0.37 0.14 -0.69 0.00 0.00 0.00 174.94 175.54 2wvx s VAL 137 N -0.16 5.49 -0.06 2.92 1.01 -0.85 -0.39 120.40 128.36 2wvx s VAL 137 Ca 0.01 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2wvx s VAL 137 Cb -0.09 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2wvx s VAL 137 CO 0.01 0.59 -0.24 -0.89 0.00 0.00 0.00 175.10 174.57 2wvx s THR 138 N -0.81 2.18 0.36 3.92 2.01 -0.56 -0.28 115.64 122.47 2wvx s THR 138 Ca 0.14 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.14 2wvx s THR 138 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2wvx s THR 138 CO 0.03 0.57 0.09 -0.62 -0.69 0.00 0.00 174.62 174.00 2wvx n GLU 139 N 2.90 0.72 -3.16 4.92 1.02 -0.24 -1.65 120.64 125.16 2wvx n GLU 139 Ca -0.17 -2.92 0.05 0.00 -0.02 0.00 0.00 57.16 54.09 2wvx n GLU 139 Cb 0.52 1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 33.30 2wvx n GLU 139 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wvx s THR 141 N -2.75 -0.03 0.43 2.62 -4.23 -0.35 -0.90 115.64 110.42 2wvx s THR 141 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2wvx s THR 141 Cb 0.01 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 2wvx s THR 141 CO 0.09 0.00 0.68 -2.16 -0.54 0.00 0.00 174.62 172.69 2wvx s PRO 142 N 2.52 3.39 0.00 3.99 0.04 -1.26 -2.30 135.00 141.38 2wvx s PRO 142 Ca -0.05 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2wvx s PRO 142 Cb -0.04 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2wvx s PRO 142 CO -0.11 -0.11 0.00 0.25 0.04 0.00 0.00 177.00 177.07 2wvx n THR 143 N -2.06 0.00 -0.21 1.26 -2.24 0.95 -4.68 114.28 107.30 2wvx n THR 143 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 2wvx n THR 143 Cb 0.56 -0.51 0.21 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.99 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.58 2wvx h GLU 144 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wvx h GLU 144 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2wvx h GLU 144 CO 0.00 0.72 0.00 0.54 -1.00 0.00 0.00 179.01 179.27 2wvx n ARG 145 N -4.37 2.78 -4.49 2.33 1.74 -1.26 -2.03 116.66 111.37 2wvx n ARG 145 Ca 0.07 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 2wvx n ARG 145 Cb 0.10 -0.31 -0.11 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.41 2.59 -0.04 7.54 0.00 -1.26 -3.31 121.76 126.88 2wvx s ALA 146 Ca 0.00 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 49.71 2wvx s ALA 146 Cb 0.00 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.52 2wvx s ALA 146 CO 0.00 -0.17 0.37 0.54 0.00 0.00 0.00 175.76 176.49 2wvx s VAL 147 N -3.03 0.04 -0.17 0.00 0.11 -0.30 -0.03 120.40 117.01 2wvx s VAL 147 Ca 0.34 -0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2wvx s VAL 147 Cb 0.07 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2wvx s VAL 147 CO 0.15 -0.19 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.46 2wvx s LEU 148 N -1.06 3.07 -0.09 2.54 2.96 -0.97 -1.36 118.68 123.77 2wvx s LEU 148 Ca -0.11 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2wvx s LEU 148 Cb -0.04 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2wvx s LEU 148 CO 0.04 0.12 0.08 -0.36 -1.32 0.00 0.00 176.35 174.92 2wvx s PHE 149 N 0.65 3.40 -0.11 5.38 0.40 -0.21 -1.21 117.98 126.28 2wvx s PHE 149 Ca -0.03 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2wvx s PHE 149 Cb -0.15 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.54 2wvx s PHE 149 CO 0.02 0.62 -0.12 0.50 0.70 0.00 0.00 175.22 176.94 2wvx s ARG 150 N -1.06 1.94 -0.20 0.44 3.52 -0.08 -0.86 118.95 122.66 2wvx s ARG 150 Ca 0.15 -0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 55.26 2wvx s ARG 150 Cb -0.12 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 2wvx s ARG 150 CO 0.05 -0.15 0.01 -0.06 -0.81 0.00 0.00 175.30 174.33 2wvx s PHE 151 N 1.26 3.05 -0.43 5.12 0.40 0.38 -1.07 117.98 126.69 2wvx s PHE 151 Ca -0.02 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 2wvx s PHE 151 Cb -0.14 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.34 2wvx s PHE 151 CO -0.05 -0.22 0.35 0.99 0.70 0.00 0.00 175.22 176.99 2wvx s THR 152 N 0.98 5.22 0.35 0.64 2.01 0.62 -0.89 115.64 124.58 2wvx s THR 152 Ca 0.02 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2wvx s THR 152 Cb -0.14 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2wvx s THR 152 CO 0.02 -0.42 0.59 -0.36 -0.69 0.00 0.00 174.62 173.76 2wvx s PHE 153 N 1.74 3.50 0.80 4.92 0.08 -0.11 -2.02 117.98 126.90 2wvx s PHE 153 Ca 0.06 0.53 -0.09 0.00 0.12 0.00 0.00 56.93 57.55 2wvx s PHE 153 Cb -0.20 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 2wvx s PHE 153 CO 0.09 0.07 1.12 -1.25 -0.10 0.00 0.00 175.22 175.16 2wvx s PRO 154 N -4.12 1.57 -0.01 0.24 0.04 -1.23 -1.08 135.00 130.41 2wvx s PRO 154 Ca 0.43 -0.46 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 2wvx s PRO 154 Cb -0.10 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2wvx s PRO 154 CO 0.35 -1.69 1.94 -2.00 0.04 0.00 0.00 177.00 175.65 2wvx s GLU 155 N -5.46 4.03 -0.28 4.56 2.12 -1.25 -4.46 118.70 117.97 2wvx s GLU 155 Ca 0.66 2.47 -0.25 0.00 0.36 0.00 0.00 54.97 58.21 2wvx s GLU 155 Cb -0.07 -4.16 0.11 0.00 0.26 0.00 0.00 34.13 30.27 2wvx s GLU 155 CO 0.48 -1.08 0.97 1.21 -0.54 0.00 0.00 175.26 176.30 2wvx s ASN 156 N 4.70 -0.51 0.29 -1.70 3.84 -0.50 -4.90 114.94 116.16 2wvx s ASN 156 Ca 0.87 0.98 0.26 0.00 0.21 0.00 0.00 52.86 55.17 2wvx s ASN 156 Cb -0.40 1.00 0.82 0.00 -0.55 0.00 0.00 41.25 42.12 2wvx s ASN 156 CO 0.39 -0.17 1.75 0.44 -2.79 0.00 0.00 177.10 176.72 2wvx h ASP 157 N 4.44 0.00 -2.47 -4.21 3.32 -1.87 -0.37 116.42 115.25 2wvx h ASP 157 Ca -0.28 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.17 2wvx h ASP 157 Cb 1.17 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 2wvx h ASP 157 CO 0.10 0.00 -0.81 1.41 -1.72 0.00 0.00 179.24 178.22 2wvx n HIS 158 N -2.48 1.33 -4.11 4.55 8.25 -1.26 -4.11 115.22 117.39 2wvx n HIS 158 Ca 0.04 -3.83 -0.36 0.00 -0.26 0.00 0.00 57.72 53.32 2wvx n HIS 158 Cb 0.39 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 2wvx n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wvx s SER 159 N -1.15 5.84 0.08 0.41 0.01 -0.41 -1.33 113.70 117.15 2wvx s SER 159 Ca 0.32 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.86 2wvx s SER 159 Cb 0.06 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2wvx s SER 159 CO -0.14 0.38 0.03 -0.31 0.41 0.00 0.00 173.24 173.62 2wvx s TYR 160 N -0.99 0.58 -0.08 2.43 1.51 -0.34 -0.54 117.35 119.93 2wvx s TYR 160 Ca 0.15 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 2wvx s TYR 160 Cb -0.12 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 2wvx s TYR 160 CO 0.04 -0.45 -0.15 0.08 -1.11 0.00 0.00 175.55 173.96 2wvx s VAL 161 N -3.96 1.37 -0.14 0.71 1.01 0.43 -1.01 120.40 118.82 2wvx s VAL 161 Ca 0.12 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2wvx s VAL 161 Cb 0.07 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2wvx s VAL 161 CO -0.06 0.41 0.26 -0.69 0.00 0.00 0.00 175.10 175.02 2wvx s VAL 162 N 0.76 5.32 -0.15 2.92 1.01 -1.26 -1.51 120.40 127.49 2wvx s VAL 162 Ca -0.12 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2wvx s VAL 162 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2wvx s VAL 162 CO 0.02 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 2wvx s VAL 163 N 0.04 2.47 -0.25 2.92 1.01 0.14 -4.16 120.40 122.56 2wvx s VAL 163 Ca 0.16 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2wvx s VAL 163 Cb -0.13 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2wvx s VAL 163 CO 0.04 0.53 -0.09 -0.62 0.00 0.00 0.00 175.10 174.96 2wvx s ASP 164 N 0.76 4.16 0.00 3.32 -1.08 -0.22 -1.02 116.67 122.59 2wvx s ASP 164 Ca -0.07 -1.28 0.28 0.00 -0.52 0.00 0.00 52.55 50.95 2wvx s ASP 164 Cb -0.16 -1.40 1.38 0.00 -1.46 0.00 0.00 42.92 41.28 2wvx s ASP 164 CO 0.00 -0.20 1.92 0.00 0.52 0.00 0.00 175.17 177.41 2wvx n ALA 165 N 4.53 2.62 -0.69 3.66 0.00 -0.76 -1.77 120.51 128.10 2wvx n ALA 165 Ca -0.13 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.08 2wvx n ALA 165 Cb 0.43 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.40 -1.73 -2.79 0.00 3.01 -1.26 -4.48 117.46 109.81 2wvx n PHE 166 Ca 0.20 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.53 2wvx n PHE 166 Cb 0.22 -1.57 0.00 0.00 -0.01 0.00 0.00 39.48 38.11 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 -2.61 0.28 -1.71 4.37 5.75 -1.26 -3.93 116.55 117.45 2wvx n ASP 167 Ca 0.00 -0.64 -0.16 0.00 -0.01 0.00 0.00 54.79 53.98 2wvx n ASP 167 Cb 0.32 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.55 -1.25 0.00 0.11 5.02 -0.98 -3.63 118.16 116.87 2wvx n LYS 168 Ca 0.00 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2wvx n LYS 168 Cb 0.00 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 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 -1.01 1.10 2.62 0.72 0.00 0.47 -4.69 105.19 104.41 2wvx n GLY 169 Ca -0.18 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 2wvx n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wvx n SER 170 N 0.00 -0.81 -3.71 1.61 3.41 -0.20 -3.38 113.62 110.54 2wvx n SER 170 Ca 0.00 -2.64 -0.14 0.00 -0.26 0.00 0.00 58.87 55.83 2wvx n SER 170 Cb 0.00 1.66 -0.09 0.00 -0.26 0.00 0.00 64.21 65.52 2wvx n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2wvx s TYR 171 N -3.19 -0.42 -0.10 7.33 5.04 -0.76 -2.30 117.35 122.96 2wvx s TYR 171 Ca 0.28 0.92 -0.11 0.00 -2.44 0.00 0.00 57.07 55.71 2wvx s TYR 171 Cb 0.00 0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.52 2wvx s TYR 171 CO 0.20 -0.32 0.31 -1.50 -1.34 0.00 0.00 175.55 172.90 2wvx s ILE 172 N -0.36 0.01 -0.05 3.14 1.10 -0.67 -0.99 121.20 123.38 2wvx s ILE 172 Ca -0.05 -0.10 -0.02 0.00 -0.51 0.00 0.00 60.65 59.98 2wvx s ILE 172 Cb -0.03 -0.47 0.03 0.00 0.15 0.00 0.00 42.46 42.14 2wvx s ILE 172 CO 0.03 -0.05 0.10 -0.75 -2.11 0.00 0.00 174.94 172.15 2wvx s LYS 173 N -0.12 0.04 -0.19 3.50 2.20 0.47 -0.99 119.74 124.65 2wvx s LYS 173 Ca -0.03 0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.75 2wvx s LYS 173 Cb -0.03 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.05 2wvx s LYS 173 CO 0.01 -0.16 0.23 0.42 -0.36 0.00 0.00 175.35 175.49 2wvx s ILE 174 N 1.09 5.34 -0.64 5.43 1.01 0.63 -0.87 121.20 133.19 2wvx s ILE 174 Ca -0.09 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2wvx s ILE 174 Cb -0.12 -3.57 0.16 0.00 0.01 0.00 0.00 42.46 38.94 2wvx s ILE 174 CO -0.05 0.38 0.42 -0.63 0.00 0.00 0.00 174.94 175.07 2wvx s ILE 175 N 0.61 2.97 0.38 2.92 1.01 0.18 -4.84 121.20 124.44 2wvx s ILE 175 Ca 0.13 -3.76 0.08 0.00 0.00 0.00 0.00 60.65 57.10 2wvx s ILE 175 Cb -0.13 -2.98 0.19 0.00 0.01 0.00 0.00 42.46 39.56 2wvx s ILE 175 CO 0.02 -0.92 1.95 1.55 0.00 0.00 0.00 174.94 177.54 2wvx h PRO 176 N 6.02 0.39 0.00 2.79 0.13 -1.96 -1.12 132.00 138.25 2wvx h PRO 176 Ca 0.04 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2wvx h PRO 176 Cb 0.83 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2wvx h PRO 176 CO 0.72 0.41 0.00 -0.85 -0.23 0.00 0.00 178.00 178.05 2wvx n GLU 177 N -4.34 0.13 -0.14 0.86 0.00 -1.26 -1.12 120.64 114.77 2wvx n GLU 177 Ca 0.01 0.38 0.04 0.00 0.00 0.00 0.00 57.16 57.59 2wvx n GLU 177 Cb 0.20 -1.76 0.11 0.00 0.00 0.00 0.00 31.44 30.00 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 -2.00 2.85 -4.08 3.44 1.02 -0.49 -4.98 120.64 116.40 2wvx n GLU 178 Ca 0.02 -1.97 -0.30 0.00 -0.02 0.00 0.00 57.16 54.89 2wvx n GLU 178 Cb 0.20 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.01 -1.42 -4.15 1.62 4.13 -0.27 -4.73 115.26 110.46 2wvx n ASN 179 Ca 0.09 -1.02 -0.17 0.00 1.68 0.00 0.00 54.58 55.16 2wvx n ASN 179 Cb 0.42 -2.85 -0.12 0.00 -1.54 0.00 0.00 39.78 35.69 2wvx n ASN 179 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2wvx s LYS 180 N -6.76 0.76 -0.05 3.52 2.20 -0.82 -1.40 119.74 117.19 2wvx s LYS 180 Ca 0.29 -0.92 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 2wvx s LYS 180 Cb -0.16 -0.70 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 2wvx s LYS 180 CO 0.91 0.15 -0.13 0.42 -0.36 0.00 0.00 175.35 176.34 2wvx s ILE 181 N -1.33 1.14 0.31 5.43 1.01 -0.24 -0.64 121.20 126.88 2wvx s ILE 181 Ca -0.04 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.19 2wvx s ILE 181 Cb -0.10 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 2wvx s ILE 181 CO 0.02 0.35 -0.14 0.27 0.00 0.00 0.00 174.94 175.44 2wvx s ILE 182 N 0.33 2.28 0.07 2.92 -4.36 -0.05 -0.65 121.20 121.73 2wvx s ILE 182 Ca -0.08 -2.28 -0.26 0.00 -0.26 0.00 0.00 60.65 57.77 2wvx s ILE 182 Cb -0.12 -2.48 0.09 0.00 1.25 0.00 0.00 42.46 41.20 2wvx s ILE 182 CO 0.02 -0.30 1.18 -0.83 0.24 0.00 0.00 174.94 175.26 2wvx s GLY 183 N -3.55 -0.03 0.06 6.27 0.00 -0.72 -0.40 107.32 108.95 2wvx s GLY 183 Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.93 2wvx s GLY 183 CO 0.15 4.23 -0.06 -2.52 0.00 0.00 0.00 173.10 174.90 2wvx s TYR 184 N -2.08 0.65 0.12 1.90 -0.85 -0.16 -1.21 117.35 115.72 2wvx s TYR 184 Ca 0.26 -0.70 0.10 0.00 -0.52 0.00 0.00 57.07 56.21 2wvx s TYR 184 Cb -0.01 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 2wvx s TYR 184 CO 0.02 -0.16 -0.25 -0.08 -1.52 0.00 0.00 175.55 173.56 2wvx s THR 185 N -2.40 2.11 0.00 -3.49 -1.32 -0.27 -1.82 115.64 108.45 2wvx s THR 185 Ca -0.02 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2wvx s THR 185 Cb -0.03 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 2wvx s THR 185 CO -0.03 0.06 0.00 0.35 -2.21 0.00 0.00 174.62 172.79 2wvx n THR 186 N 0.98 0.00 -1.65 5.08 -2.24 -1.22 -1.14 114.28 114.10 2wvx n THR 186 Ca -0.18 -0.20 -0.53 0.00 -2.27 0.00 0.00 64.05 60.87 2wvx n THR 186 Cb 0.53 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.48 1.37 -4.09 -0.78 0.63 -1.24 -4.78 116.66 107.29 2wvx n ARG 187 Ca 0.00 0.50 -0.14 0.00 -0.92 0.00 0.00 57.85 57.29 2wvx n ARG 187 Cb 0.00 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 30.68 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 1.85 0.78 -0.14 6.15 4.22 -1.26 -3.44 114.94 123.09 2wvx s ASN 188 Ca 0.89 -1.42 0.18 0.00 -2.14 0.00 0.00 52.86 50.37 2wvx s ASN 188 Cb -0.93 0.64 0.36 0.00 1.28 0.00 0.00 41.25 42.60 2wvx s ASN 188 CO 0.52 -1.25 1.23 -1.20 -2.04 0.00 0.00 177.10 174.37 2wvx n SER 189 N -1.23 2.83 0.00 3.54 7.64 -1.03 -4.96 113.62 120.40 2wvx n SER 189 Ca 0.01 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2wvx n SER 189 Cb 0.62 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.14 0.91 2.39 0.23 0.00 -1.26 -5.02 105.19 101.31 2wvx n GLY 190 Ca 0.18 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 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 0.20 -0.27 3.24 -0.02 0.00 -1.26 -4.44 105.19 102.65 2wvx n GLY 191 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.84 1.43 0.86 1.61 -7.23 -1.26 -0.51 120.40 112.46 2wvx s VAL 192 Ca 0.05 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.52 2wvx s VAL 192 Cb -0.02 -1.45 0.11 0.00 0.56 0.00 0.00 36.38 35.58 2wvx s VAL 192 CO 0.06 -0.26 1.09 -2.84 -0.31 0.00 0.00 175.10 172.85 2wvx s PRO 193 N -2.23 1.52 0.43 4.82 0.02 -1.26 -4.94 135.00 133.37 2wvx s PRO 193 Ca 0.06 0.80 0.11 0.00 0.02 0.00 0.00 61.00 61.99 2wvx s PRO 193 Cb -0.08 -1.84 0.97 0.00 0.02 0.00 0.00 34.50 33.57 2wvx s PRO 193 CO 0.04 -2.05 2.04 0.93 -0.33 0.00 0.00 177.00 177.62 2wvx h GLU 194 N -1.41 0.43 -0.56 5.54 4.39 -1.98 -2.03 114.58 118.96 2wvx h GLU 194 Ca -0.48 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2wvx h GLU 194 Cb 1.28 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2wvx h GLU 194 CO 0.55 0.28 0.00 0.27 -1.16 0.00 0.00 179.01 178.96 2wvx n ASN 195 N -4.48 2.67 -4.68 1.42 6.94 -1.26 -4.96 115.26 110.91 2wvx n ASN 195 Ca 0.05 -2.21 -0.46 0.00 -0.02 0.00 0.00 54.58 51.94 2wvx n ASN 195 Cb 0.18 -0.40 -0.04 0.00 -2.36 0.00 0.00 39.78 37.16 2wvx n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2wvx n PHE 196 N 0.50 2.38 -3.74 -2.53 7.35 -0.77 -5.00 117.46 115.66 2wvx n PHE 196 Ca 0.14 0.03 -0.13 0.00 -0.76 0.00 0.00 57.45 56.72 2wvx n PHE 196 Cb 0.51 -2.65 -0.09 0.00 0.35 0.00 0.00 39.48 37.59 2wvx n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2wvx s LYS 197 N 2.89 0.59 -0.25 -4.13 1.02 -1.26 -4.75 119.74 113.84 2wvx s LYS 197 Ca 0.86 0.18 -0.04 0.00 0.02 0.00 0.00 55.97 56.99 2wvx s LYS 197 Cb -0.64 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 2wvx s LYS 197 CO 0.44 -0.13 -0.00 1.21 -0.92 0.00 0.00 175.35 175.95 2wvx s ASN 198 N -0.61 4.61 -0.14 2.83 3.84 -0.29 -4.56 114.94 120.62 2wvx s ASN 198 Ca -0.07 -0.61 -0.15 0.00 0.21 0.00 0.00 52.86 52.24 2wvx s ASN 198 Cb -0.04 -1.77 -0.05 0.00 -0.55 0.00 0.00 41.25 38.84 2wvx s ASN 198 CO 0.03 -0.10 0.36 -0.31 -2.79 0.00 0.00 177.10 174.29 2wvx s TYR 199 N 1.45 3.49 0.15 0.43 1.51 0.35 -1.11 117.35 123.61 2wvx s TYR 199 Ca 0.03 0.71 0.07 0.00 -1.01 0.00 0.00 57.07 56.87 2wvx s TYR 199 Cb -0.16 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2wvx s TYR 199 CO -0.01 0.24 -0.15 -0.59 -1.11 0.00 0.00 175.55 173.92 2wvx s PHE 200 N 0.44 1.56 -0.02 2.71 -0.12 -0.35 -0.34 117.98 121.86 2wvx s PHE 200 Ca 0.20 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2wvx s PHE 200 Cb -0.14 -0.79 0.01 0.00 -0.63 0.00 0.00 43.02 41.47 2wvx s PHE 200 CO 0.06 0.22 -0.04 0.42 -0.05 0.00 0.00 175.22 175.83 2wvx s ILE 201 N -2.32 0.42 -0.11 -4.49 1.01 -0.39 -1.76 121.20 113.56 2wvx s ILE 201 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 2wvx s ILE 201 Cb -0.04 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.05 2wvx s ILE 201 CO 0.04 0.15 -0.07 -0.63 0.00 0.00 0.00 174.94 174.43 2wvx s ILE 202 N 0.29 0.99 -0.16 2.92 1.01 0.17 -1.71 121.20 124.71 2wvx s ILE 202 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2wvx s ILE 202 Cb -0.07 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 2wvx s ILE 202 CO -0.00 0.36 -0.10 -1.61 0.00 0.00 0.00 174.94 173.59 2wvx s GLU 203 N 1.69 3.41 0.06 2.79 2.02 0.82 -1.08 118.70 128.41 2wvx s GLU 203 Ca 0.04 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.39 2wvx s GLU 203 Cb -0.13 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 2wvx s GLU 203 CO -0.08 0.11 0.14 -0.06 0.02 0.00 0.00 175.26 175.40 2wvx s PHE 204 N 0.64 3.36 -1.74 1.61 0.40 -0.49 -0.40 117.98 121.36 2wvx s PHE 204 Ca -0.06 0.18 0.16 0.00 -0.60 0.00 0.00 56.93 56.61 2wvx s PHE 204 Cb -0.15 -1.70 0.50 0.00 0.51 0.00 0.00 43.02 42.18 2wvx s PHE 204 CO 0.03 0.56 1.40 -0.40 0.70 0.00 0.00 175.22 177.51 2wvx n ASP 205 N 0.44 3.18 -4.06 1.36 5.75 -0.74 -4.82 116.55 117.66 2wvx n ASP 205 Ca -0.07 -2.11 -0.24 0.00 -0.01 0.00 0.00 54.79 52.36 2wvx n ASP 205 Cb 0.51 -0.41 -0.16 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.44 1.50 0.48 0.11 2.20 -1.26 -4.94 119.74 116.38 2wvx s LYS 206 Ca 0.37 -0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 55.30 2wvx s LYS 206 Cb 0.21 -1.31 -0.07 0.00 -1.51 0.00 0.00 37.83 35.15 2wvx s LYS 206 CO 0.23 0.14 1.20 -1.25 -0.36 0.00 0.00 175.35 175.31 2wvx s PRO 207 N 0.27 3.64 0.24 4.03 0.04 -1.26 -4.97 135.00 136.98 2wvx s PRO 207 Ca -0.07 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 2wvx s PRO 207 Cb -0.12 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 2wvx s PRO 207 CO 0.02 -0.68 1.15 -0.06 0.04 0.00 0.00 177.00 177.47 2wvx s PHE 208 N -1.50 3.49 -0.81 0.56 0.08 -1.26 -4.84 117.98 113.70 2wvx s PHE 208 Ca 0.65 1.57 0.07 0.00 0.12 0.00 0.00 56.93 59.34 2wvx s PHE 208 Cb -0.31 -3.36 0.05 0.00 -0.57 0.00 0.00 43.02 38.82 2wvx s PHE 208 CO 0.37 -0.88 0.68 0.25 -0.10 0.00 0.00 175.22 175.55 2wvx n THR 209 N 1.75 0.00 -4.21 0.64 -2.24 0.43 -4.98 114.28 105.67 2wvx n THR 209 Ca 0.01 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.14 2wvx n THR 209 Cb 0.45 1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 69.67 2wvx n THR 209 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wvx s TYR 210 N -0.64 0.59 -0.17 4.78 6.14 -0.70 -4.95 117.35 122.40 2wvx s TYR 210 Ca 0.08 -0.14 -0.15 0.00 0.64 0.00 0.00 57.07 57.50 2wvx s TYR 210 Cb 0.06 -0.38 0.05 0.00 0.42 0.00 0.00 41.96 42.11 2wvx s TYR 210 CO 0.10 -0.01 0.44 -1.59 0.64 0.00 0.00 175.55 175.13 2wvx s LYS 211 N -0.26 0.51 -0.16 4.97 -2.85 -1.26 -1.51 119.74 119.18 2wvx s LYS 211 Ca 0.02 0.65 -0.15 0.00 -1.00 0.00 0.00 55.97 55.48 2wvx s LYS 211 Cb -0.03 0.22 0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2wvx s LYS 211 CO -0.00 -0.08 0.43 0.00 0.10 0.00 0.00 175.35 175.80 2wvx s ALA 212 N 0.41 -1.07 0.40 0.59 0.00 -0.04 -1.01 121.76 121.04 2wvx s ALA 212 Ca -0.01 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.21 2wvx s ALA 212 Cb -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 2wvx s ALA 212 CO -0.01 -0.21 0.48 0.95 0.00 0.00 0.00 175.76 176.97 2wvx s THR 213 N 0.15 3.09 -0.01 0.00 -4.23 -0.81 -0.11 115.64 113.73 2wvx s THR 213 Ca -0.01 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2wvx s THR 213 Cb -0.03 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 2wvx s THR 213 CO 0.01 -0.03 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.26 2wvx s VAL 214 N -2.36 0.84 -0.22 2.29 1.01 0.13 0.28 120.40 122.38 2wvx s VAL 214 Ca 0.51 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2wvx s VAL 214 Cb -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.67 2wvx s VAL 214 CO 0.31 0.23 0.05 -0.70 0.00 0.00 0.00 175.10 174.99 2wvx s GLU 215 N -0.26 0.63 -1.41 2.72 2.12 -0.43 -2.25 118.70 119.81 2wvx s GLU 215 Ca 0.04 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 2wvx s GLU 215 Cb -0.04 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.31 2wvx s GLU 215 CO -0.00 -0.71 0.44 0.09 -0.54 0.00 0.00 175.26 174.54 2wvx n ASN 216 N 5.03 -0.44 0.00 -1.70 3.02 -1.10 -1.72 115.26 118.35 2wvx n ASN 216 Ca -0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2wvx n ASN 216 Cb 0.46 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 2wvx n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvx n GLY 217 N -1.95 2.14 3.64 7.41 0.00 -1.26 -5.00 105.19 110.16 2wvx n GLY 217 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.50 6.51 -0.11 1.61 0.01 -0.70 -4.96 114.94 113.81 2wvx s ASN 218 Ca 0.00 0.62 -0.29 0.00 -0.71 0.00 0.00 52.86 52.48 2wvx s ASN 218 Cb 0.00 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 2wvx s ASN 218 CO 0.00 -0.24 0.97 -0.22 -1.51 0.00 0.00 177.10 176.10 2wvx s LEU 219 N 2.00 4.24 -0.43 0.60 2.96 -1.26 -1.32 118.68 125.47 2wvx s LEU 219 Ca 0.23 1.47 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 2wvx s LEU 219 Cb -0.15 -3.50 0.12 0.00 0.50 0.00 0.00 46.19 43.16 2wvx s LEU 219 CO 0.09 -0.43 0.17 -1.10 -1.32 0.00 0.00 176.35 173.76 2wvx s GLN 220 N 1.97 1.71 0.27 1.98 -1.52 0.14 -4.98 119.66 119.23 2wvx s GLN 220 Ca 0.47 -2.25 -0.30 0.00 -1.95 0.00 0.00 55.36 51.33 2wvx s GLN 220 Cb -0.18 -3.20 -0.11 0.00 -0.22 0.00 0.00 33.01 29.31 2wvx s GLN 220 CO 0.17 -1.04 1.49 -2.00 -0.25 0.00 0.00 175.29 173.66 2wvx s GLU 221 N 0.29 4.22 -1.23 2.91 2.12 -1.26 -1.93 118.70 123.81 2wvx s GLU 221 Ca 0.14 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2wvx s GLU 221 Cb -0.23 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2wvx s GLU 221 CO -0.04 -0.49 0.00 0.09 -0.54 0.00 0.00 175.26 174.28 2wvx n ASN 222 N 2.16 -5.45 -4.55 -1.70 3.02 -0.18 -4.92 115.26 103.65 2wvx n ASN 222 Ca 0.07 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.50 2wvx n ASN 222 Cb 0.39 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.49 2wvx n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wvx s VAL 223 N -2.08 5.21 0.24 2.41 1.01 -1.03 -5.00 120.40 121.16 2wvx s VAL 223 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2wvx s VAL 223 Cb 0.00 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.68 2wvx s VAL 223 CO 0.00 -0.04 1.69 0.00 0.00 0.00 0.00 175.10 176.75 2wvx h ALA 224 N 8.45 0.98 -3.79 5.51 0.00 -1.88 -3.26 119.26 125.27 2wvx h ALA 224 Ca -0.31 -0.32 -0.41 0.00 0.00 0.00 0.00 54.91 53.88 2wvx h ALA 224 Cb 1.15 -0.17 -0.26 0.00 0.00 0.00 0.00 17.79 18.51 2wvx h ALA 224 CO 0.67 0.60 -0.78 -2.00 0.00 0.00 0.00 179.25 177.74 2wvx s GLU 225 N -4.77 0.82 -0.01 0.00 2.12 -1.26 -0.27 118.70 115.33 2wvx s GLU 225 Ca -0.09 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.64 2wvx s GLU 225 Cb 0.14 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.75 2wvx s GLU 225 CO 0.82 0.20 -0.01 -0.65 -0.54 0.00 0.00 175.26 175.08 2wvx s GLN 226 N -0.85 0.17 -0.23 4.30 -1.52 -0.16 -5.00 119.66 116.37 2wvx s GLN 226 Ca 0.01 -0.03 -0.00 0.00 -1.95 0.00 0.00 55.36 53.39 2wvx s GLN 226 Cb -0.07 -0.21 0.06 0.00 -0.22 0.00 0.00 33.01 32.58 2wvx s GLN 226 CO 0.01 0.00 -0.02 0.99 -0.25 0.00 0.00 175.29 176.02 2wvx s THR 227 N 0.18 1.28 0.20 -0.19 2.01 -1.26 -1.67 115.64 116.19 2wvx s THR 227 Ca -0.01 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 2wvx s THR 227 Cb -0.03 -1.64 0.06 0.00 0.01 0.00 0.00 72.50 70.90 2wvx s THR 227 CO -0.01 -0.17 0.93 0.28 -0.69 0.00 0.00 174.62 174.97 2wvx s THR 228 N 1.50 0.00 0.10 -0.82 -1.32 -0.97 -5.03 115.64 109.10 2wvx s THR 228 Ca -0.04 -0.73 -0.23 0.00 -1.21 0.00 0.00 61.69 59.48 2wvx s THR 228 Cb -0.18 -2.28 -0.13 0.00 -1.51 0.00 0.00 72.50 68.40 2wvx s THR 228 CO -0.07 0.00 1.72 -0.78 -2.21 0.00 0.00 174.62 173.28 2wvx h ASP 229 N 2.00 -0.12 -3.55 8.08 3.58 -1.95 -0.51 116.42 123.95 2wvx h ASP 229 Ca -0.25 0.02 -0.61 0.00 0.42 0.00 0.00 57.03 56.60 2wvx h ASP 229 Cb 1.23 0.05 -0.40 0.00 1.72 0.00 0.00 39.33 41.93 2wvx h ASP 229 CO 0.29 -0.07 -0.73 -2.28 -2.88 0.00 0.00 179.24 173.57 2wvx s HIS 230 N -6.18 2.17 0.26 0.28 2.46 -1.26 -0.39 115.29 112.63 2wvx s HIS 230 Ca -0.14 -2.42 -0.16 0.00 0.47 0.00 0.00 55.06 52.81 2wvx s HIS 230 Cb 0.07 -2.02 -0.08 0.00 -0.13 0.00 0.00 32.58 30.41 2wvx s HIS 230 CO 0.66 -0.81 0.70 0.00 -2.47 0.00 0.00 174.74 172.83 2wvx s ALA 231 N 0.54 3.40 0.30 1.58 0.00 -1.25 -2.72 121.76 123.60 2wvx s ALA 231 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 2wvx s ALA 231 Cb -0.23 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.15 2wvx s ALA 231 CO -0.04 0.35 0.57 0.20 0.00 0.00 0.00 175.76 176.84 2wvx s GLY 232 N -1.98 0.66 0.03 0.00 0.00 -0.96 -1.84 107.32 103.23 2wvx s GLY 232 Ca 0.48 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2wvx s GLY 232 CO 0.19 -0.59 -0.01 0.00 0.00 0.00 0.00 173.10 172.69 2wvx s ALA 233 N -3.44 0.16 -0.07 3.20 0.00 -0.19 0.19 121.76 121.60 2wvx s ALA 233 Ca 0.22 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2wvx s ALA 233 Cb -0.02 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2wvx s ALA 233 CO 0.12 -0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.02 2wvx s ILE 234 N -2.03 0.79 0.31 0.00 1.01 0.85 -0.69 121.20 121.44 2wvx s ILE 234 Ca -0.11 -0.22 0.11 0.00 0.00 0.00 0.00 60.65 60.43 2wvx s ILE 234 Cb -0.06 -0.81 -0.06 0.00 0.01 0.00 0.00 42.46 41.55 2wvx s ILE 234 CO -0.03 0.30 -0.15 0.27 0.00 0.00 0.00 174.94 175.33 2wvx s ILE 235 N 1.21 2.37 0.21 2.92 -5.25 -0.57 -0.86 121.20 121.24 2wvx s ILE 235 Ca -0.06 -2.32 -0.23 0.00 -0.99 0.00 0.00 60.65 57.05 2wvx s ILE 235 Cb -0.14 -2.45 0.04 0.00 2.95 0.00 0.00 42.46 42.86 2wvx s ILE 235 CO -0.02 -0.31 0.85 -0.83 -1.79 0.00 0.00 174.94 172.84 2wvx s GLY 236 N -3.55 -0.16 0.16 6.27 0.00 -0.57 -0.42 107.32 109.05 2wvx s GLY 236 Ca 0.31 -0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 2wvx s GLY 236 CO 0.16 -0.03 1.02 -0.11 0.00 0.00 0.00 173.10 174.14 2wvx s PHE 237 N -3.56 -0.01 0.03 1.90 -0.00 0.30 -0.43 117.98 116.21 2wvx s PHE 237 Ca 0.12 -0.33 -0.17 0.00 -0.00 0.00 0.00 56.93 56.55 2wvx s PHE 237 Cb -0.04 0.67 -0.06 0.00 -0.00 0.00 0.00 43.02 43.59 2wvx s PHE 237 CO 0.05 -0.85 0.48 -1.59 -0.00 0.00 0.00 175.22 173.30 2wvx s LYS 238 N -2.62 4.04 0.07 1.99 -2.85 -1.26 -1.29 119.74 117.81 2wvx s LYS 238 Ca 0.18 0.55 0.06 0.00 -1.00 0.00 0.00 55.97 55.75 2wvx s LYS 238 Cb -0.02 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 2wvx s LYS 238 CO 0.04 0.67 -0.16 0.95 0.10 0.00 0.00 175.35 176.94 2wvx s THR 239 N -1.10 1.29 0.68 3.79 -4.23 -0.15 -4.98 115.64 110.94 2wvx s THR 239 Ca 0.26 -1.26 -0.09 0.00 -1.18 0.00 0.00 61.69 59.42 2wvx s THR 239 Cb -0.18 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.49 2wvx s THR 239 CO 0.16 -0.08 1.04 -0.13 -0.54 0.00 0.00 174.62 175.06 2wvx s ARG 240 N -1.55 2.74 0.09 3.99 0.52 -1.26 -1.41 118.95 122.07 2wvx s ARG 240 Ca 0.02 0.24 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 2wvx s ARG 240 Cb -0.09 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.18 2wvx s ARG 240 CO 0.02 -1.00 1.77 0.21 0.02 0.00 0.00 175.30 176.32 2wvx s LYS 241 N -5.26 4.16 -0.02 3.54 2.20 -1.26 -1.71 119.74 121.39 2wvx s LYS 241 Ca 0.57 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 2wvx s LYS 241 Cb -0.11 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2wvx s LYS 241 CO 0.49 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2wvx n GLY 242 N 4.16 0.47 3.71 5.54 0.00 -0.24 -4.86 105.19 113.98 2wvx n GLY 242 Ca 0.17 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.57 4.33 -0.16 1.61 2.12 -0.69 -4.69 118.70 120.65 2wvx s GLU 243 Ca 0.00 2.03 -0.12 0.00 0.36 0.00 0.00 54.97 57.24 2wvx s GLU 243 Cb 0.00 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2wvx s GLU 243 CO 0.00 -0.43 0.22 -0.65 -0.54 0.00 0.00 175.26 173.86 2wvx s GLN 244 N 1.23 4.09 -0.13 4.30 -0.21 -1.26 -0.93 119.66 126.75 2wvx s GLN 244 Ca 0.64 -0.03 0.03 0.00 0.02 0.00 0.00 55.36 56.02 2wvx s GLN 244 Cb -0.35 -3.38 0.01 0.00 1.00 0.00 0.00 33.01 30.29 2wvx s GLN 244 CO 0.30 0.37 -0.22 0.08 -2.12 0.00 0.00 175.29 173.69 2wvx s VAL 245 N 0.12 2.04 -0.08 1.09 1.01 -0.06 -4.95 120.40 119.56 2wvx s VAL 245 Ca 0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2wvx s VAL 245 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2wvx s VAL 245 CO 0.02 0.55 0.11 0.20 0.00 0.00 0.00 175.10 175.98 2wvx s ASN 246 N 0.71 6.06 -0.15 3.32 0.01 -1.26 -0.47 114.94 123.17 2wvx s ASN 246 Ca -0.10 0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2wvx s ASN 246 Cb -0.16 -1.88 0.03 0.00 0.41 0.00 0.00 41.25 39.65 2wvx s ASN 246 CO 0.00 0.36 -0.10 0.00 -1.51 0.00 0.00 177.10 175.86 2wvx s ALA 247 N -1.07 1.62 -0.14 0.60 0.00 -0.03 -1.78 121.76 120.96 2wvx s ALA 247 Ca 0.17 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 2wvx s ALA 247 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2wvx s ALA 247 CO 0.07 -0.53 0.43 1.03 0.00 0.00 0.00 175.76 176.76 2wvx s ARG 248 N 1.58 4.30 -0.01 0.00 0.52 0.47 -1.04 118.95 124.76 2wvx s ARG 248 Ca 0.03 0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 2wvx s ARG 248 Cb -0.14 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 2wvx s ARG 248 CO -0.09 0.14 -0.12 0.42 0.02 0.00 0.00 175.30 175.67 2wvx s ILE 249 N 0.70 0.94 0.09 1.52 1.01 -0.46 -0.13 121.20 124.88 2wvx s ILE 249 Ca 0.23 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 2wvx s ILE 249 Cb -0.15 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 2wvx s ILE 249 CO 0.09 0.27 0.16 0.00 0.00 0.00 0.00 174.94 175.46 2wvx s ALA 250 N -0.18 -0.09 0.18 9.38 0.00 -0.69 -1.16 121.76 129.21 2wvx s ALA 250 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2wvx s ALA 250 Cb -0.06 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2wvx s ALA 250 CO -0.00 -0.50 0.07 -1.54 0.00 0.00 0.00 175.76 173.79 2wvx s SER 251 N -2.88 0.63 0.01 0.00 1.04 -1.21 -1.27 113.70 110.03 2wvx s SER 251 Ca 0.06 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.10 2wvx s SER 251 Cb 0.05 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2wvx s SER 251 CO -0.10 -0.72 0.24 -0.55 0.98 0.00 0.00 173.24 173.09 2wvx s SER 252 N -3.15 -0.08 0.00 7.02 0.15 0.54 -4.72 113.70 113.46 2wvx s SER 252 Ca 0.30 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.05 2wvx s SER 252 Cb 0.07 0.29 0.72 0.00 -1.71 0.00 0.00 66.02 65.39 2wvx s SER 252 CO 0.07 -0.48 1.55 0.49 1.20 0.00 0.00 173.24 176.07 2wvx n PHE 253 N 1.08 0.18 -0.08 3.44 3.01 -1.26 -0.50 117.46 123.33 2wvx n PHE 253 Ca -0.21 -0.09 -0.16 0.00 1.01 0.00 0.00 57.45 58.00 2wvx n PHE 253 Cb 0.57 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.57 1.12 -3.68 4.37 5.41 -1.26 -4.72 119.36 121.17 2wvx n ILE 254 Ca 0.17 -0.13 -0.00 0.00 1.00 0.00 0.00 62.75 63.78 2wvx n ILE 254 Cb 0.41 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.49 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 -6.49 -0.10 0.24 4.38 1.04 -1.26 -4.98 113.70 106.53 2wvx s SER 255 Ca -0.24 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 2wvx s SER 255 Cb 0.08 0.29 0.24 0.00 0.10 0.00 0.00 66.02 66.73 2wvx s SER 255 CO 0.32 -0.54 1.79 -0.26 0.98 0.00 0.00 173.24 175.53 2wvx h PHE 256 N 2.00 1.09 -0.59 5.02 0.04 -1.94 -0.89 116.94 121.68 2wvx h PHE 256 Ca -0.28 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.34 2wvx h PHE 256 Cb 1.21 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 2wvx h PHE 256 CO 0.37 0.86 0.17 0.93 -0.60 0.00 0.00 178.31 180.04 2wvx h GLU 257 N 1.03 0.90 -0.35 1.51 3.07 -1.99 -0.49 114.58 118.25 2wvx h GLU 257 Ca 0.23 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 2wvx h GLU 257 Cb 0.27 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2wvx h GLU 257 CO -0.01 0.79 -0.35 0.37 -1.40 0.00 0.00 179.01 178.41 2wvx h GLN 258 N 0.87 0.82 -0.75 2.33 5.75 -1.87 -1.79 115.11 120.47 2wvx h GLN 258 Ca 0.19 -0.41 0.03 0.00 -0.15 0.00 0.00 58.65 58.32 2wvx h GLN 258 Cb 0.28 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 2wvx h GLN 258 CO -0.01 1.04 0.48 0.00 -2.65 0.00 0.00 178.83 177.69 2wvx h ALA 259 N 0.92 0.98 -0.88 3.38 0.00 -0.47 0.51 119.26 123.71 2wvx h ALA 259 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wvx h ALA 259 Cb 0.91 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2wvx h ALA 259 CO 0.08 0.28 0.50 0.00 0.00 0.00 0.00 179.25 180.11 2wvx h ALA 260 N 1.32 1.24 -0.56 0.00 0.00 -0.92 -2.24 119.26 118.09 2wvx h ALA 260 Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2wvx h ALA 260 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2wvx h ALA 260 CO -0.11 0.63 0.14 0.00 0.00 0.00 0.00 179.25 179.91 2wvx h ALA 261 N 1.34 0.73 0.00 0.00 0.00 -0.65 -3.31 119.26 117.37 2wvx h ALA 261 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wvx h ALA 261 Cb -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wvx h ALA 261 CO -0.05 0.43 0.36 0.09 0.00 0.00 0.00 179.25 180.08 2wvx n ASN 262 N -4.40 0.00 0.00 0.00 5.03 0.11 -4.35 115.26 111.65 2wvx n ASN 262 Ca 0.02 -1.36 0.00 0.00 0.87 0.00 0.00 54.58 54.12 2wvx n ASN 262 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 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 2.72 0.00 0.21 6.41 5.03 -1.25 -4.56 115.26 123.82 2wvx n ASN 264 Ca 0.00 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.61 2wvx n ASN 264 Cb 0.00 -0.17 0.81 0.00 -1.02 0.00 0.00 39.78 39.40 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 -1.94 -1.40 114.58 119.84 2wvx h GLU 265 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.93 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wvx h LEU 266 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wvx h LEU 266 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2wvx n GLY 267 N 1.06 2.35 1.11 0.83 0.00 -0.53 -2.13 105.19 107.88 2wvx n GLY 267 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 2.87 -2.27 1.61 4.76 -1.26 -4.98 118.16 132.89 2wvx n LYS 268 Ca 0.00 -2.95 -0.37 0.00 -2.87 0.00 0.00 58.31 52.12 2wvx n LYS 268 Cb 0.00 -1.90 -0.01 0.00 -1.84 0.00 0.00 35.03 31.28 2wvx n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wvx s ASP 269 N -1.91 6.11 0.44 4.39 1.01 -0.90 -5.07 116.67 120.74 2wvx s ASP 269 Ca 0.45 2.27 0.02 0.00 0.71 0.00 0.00 52.55 55.99 2wvx s ASP 269 Cb 0.37 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.76 2wvx s ASP 269 CO 0.08 -0.96 0.43 -0.46 0.21 0.00 0.00 175.17 174.47 2wvx n ASN 270 N -0.62 0.76 -0.15 0.27 0.23 -1.26 -4.86 115.26 109.63 2wvx n ASN 270 Ca 0.08 -1.60 -0.04 0.00 -0.53 0.00 0.00 54.58 52.49 2wvx n ASN 270 Cb 0.49 -0.26 0.05 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.29 0.89 -0.36 1.53 1.08 -1.97 -0.74 117.51 117.64 2wvx h ILE 271 Ca -0.14 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 2wvx h ILE 271 Cb 0.57 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2wvx h ILE 271 CO 0.17 0.07 0.18 -0.33 -0.69 0.00 0.00 178.15 177.55 2wvx h GLU 272 N 0.38 0.52 -0.36 2.37 3.07 -1.99 0.49 114.58 119.06 2wvx h GLU 272 Ca 0.21 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 2wvx h GLU 272 Cb 0.18 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2wvx h GLU 272 CO -0.19 0.45 0.16 1.96 -1.40 0.00 0.00 179.01 179.99 2wvx h GLN 273 N 0.46 0.52 -0.38 2.33 4.20 -1.85 -1.65 115.11 118.74 2wvx h GLN 273 Ca 0.13 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 2wvx h GLN 273 Cb 0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2wvx h GLN 273 CO -0.02 0.49 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.46 2wvx h LEU 274 N 0.43 0.74 -0.65 1.46 4.07 -1.01 -1.59 115.31 118.76 2wvx h LEU 274 Ca 0.12 -0.36 0.07 0.00 0.08 0.00 0.00 57.88 57.78 2wvx h LEU 274 Cb 0.15 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.63 2wvx h LEU 274 CO -0.01 0.93 0.34 0.00 -1.08 0.00 0.00 178.44 178.62 2wvx h ALA 275 N 0.83 0.86 -0.73 1.53 0.00 -0.85 -0.60 119.26 120.29 2wvx h ALA 275 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wvx h ALA 275 Cb 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wvx h ALA 275 CO 0.04 -0.01 0.28 0.37 0.00 0.00 0.00 179.25 179.93 2wvx h GLN 276 N 0.62 1.10 -0.75 0.00 5.75 -1.09 0.38 115.11 121.13 2wvx h GLN 276 Ca 0.30 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2wvx h GLN 276 Cb 0.23 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2wvx h GLN 276 CO -0.21 0.91 0.37 0.87 -2.65 0.00 0.00 178.83 178.12 2wvx h LYS 277 N 1.06 1.07 -0.44 1.69 1.57 -0.73 0.10 116.57 120.89 2wvx h LYS 277 Ca 0.24 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2wvx h LYS 277 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2wvx h LYS 277 CO -0.02 0.83 -0.26 0.78 -0.57 0.00 0.00 179.45 180.21 2wvx h GLY 278 N 1.04 1.01 0.58 3.86 0.00 -0.86 -0.08 103.07 108.63 2wvx h GLY 278 Ca 0.26 -0.92 0.06 0.00 0.00 0.00 0.00 47.33 46.72 2wvx h GLY 278 CO -0.03 0.83 0.13 1.70 0.00 0.00 0.00 176.54 179.17 2wvx h LYS 279 N 0.79 0.28 -0.46 4.80 3.64 -0.76 -0.12 116.57 124.73 2wvx h LYS 279 Ca 0.09 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2wvx h LYS 279 Cb 0.83 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2wvx h LYS 279 CO 0.07 0.18 0.10 -0.44 -2.27 0.00 0.00 179.45 177.09 2wvx h ASP 280 N 0.28 0.71 -0.48 4.20 3.32 -0.71 0.30 116.42 124.04 2wvx h ASP 280 Ca 0.20 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.06 2wvx h ASP 280 Cb 0.20 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2wvx h ASP 280 CO -0.22 0.77 0.20 0.00 -1.72 0.00 0.00 179.24 178.27 2wvx h ALA 281 N 0.97 0.60 -0.38 3.45 0.00 -0.73 0.18 119.26 123.35 2wvx h ALA 281 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2wvx h ALA 281 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wvx h ALA 281 CO 0.00 -0.18 0.05 -1.49 0.00 0.00 0.00 179.25 177.63 2wvx h TRP 282 N 0.39 0.67 0.00 0.00 4.06 -0.79 -3.00 115.95 117.29 2wvx h TRP 282 Ca 0.23 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 2wvx h TRP 282 Cb 0.20 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 2wvx h TRP 282 CO -0.14 0.68 -0.29 -0.91 -3.56 0.00 0.00 178.44 174.22 2wvx h ASN 283 N 0.47 0.00 -0.86 -3.49 -0.26 -0.40 0.21 115.58 111.25 2wvx h ASN 283 Ca 0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2wvx h ASN 283 Cb 0.38 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 2wvx h ASN 283 CO 0.01 0.29 0.50 -0.61 -1.06 0.00 0.00 177.43 176.56 2wvx h GLN 284 N 0.00 1.19 0.17 0.81 4.15 -0.52 0.31 115.11 121.22 2wvx h GLN 284 Ca -0.00 -0.12 -0.35 0.00 0.77 0.00 0.00 58.65 58.95 2wvx h GLN 284 Cb 0.54 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2wvx h GLN 284 CO 0.04 0.85 -1.74 -0.39 -1.93 0.00 0.00 178.83 175.66 2wvx h VAL 285 N 1.20 0.93 -0.22 2.39 -1.51 -1.31 -3.36 116.25 114.38 2wvx h VAL 285 Ca 0.31 -2.54 -0.10 0.00 -1.23 0.00 0.00 66.70 63.14 2wvx h VAL 285 Cb -0.01 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 2wvx h VAL 285 CO -0.05 0.85 -0.28 -0.07 -1.23 0.00 0.00 177.57 176.79 2wvx h LEU 286 N 0.10 0.42 0.00 4.19 3.38 -0.57 -2.83 115.31 120.00 2wvx h LEU 286 Ca -0.34 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2wvx h LEU 286 Cb 2.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2wvx h LEU 286 CO 0.16 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2wvx n GLY 287 N -0.36 -1.01 0.22 0.83 0.00 0.09 -1.98 105.19 102.99 2wvx n GLY 287 Ca -0.01 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.82 1.61 1.79 -1.64 -3.37 116.57 111.14 2wvx h LYS 288 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2wvx h LYS 288 Cb 0.18 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.43 2wvx h LYS 288 CO 0.00 0.00 -0.77 0.42 -1.08 0.00 0.00 179.45 178.02 2wvx s ILE 289 N -3.56 0.97 -0.27 1.86 1.01 -0.84 -0.33 121.20 120.04 2wvx s ILE 289 Ca 0.02 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 2wvx s ILE 289 Cb 0.09 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2wvx s ILE 289 CO 0.47 -0.32 0.11 -1.61 0.00 0.00 0.00 174.94 173.58 2wvx s GLU 290 N 1.62 3.63 0.03 2.79 2.02 -0.07 -4.95 118.70 123.76 2wvx s GLU 290 Ca 0.01 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.54 2wvx s GLU 290 Cb -0.18 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2wvx s GLU 290 CO -0.12 -0.24 -0.11 0.14 0.02 0.00 0.00 175.26 174.94 2wvx s VAL 291 N 1.64 3.28 0.16 2.63 -7.23 -1.26 -0.79 120.40 118.83 2wvx s VAL 291 Ca 0.06 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2wvx s VAL 291 Cb -0.16 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2wvx s VAL 291 CO 0.06 0.35 0.21 -1.83 -0.31 0.00 0.00 175.10 173.57 2wvx s GLU 292 N -1.49 1.10 -0.81 4.82 -1.05 -0.36 -4.97 118.70 115.94 2wvx s GLU 292 Ca 0.16 -1.29 -0.02 0.00 -0.15 0.00 0.00 54.97 53.68 2wvx s GLU 292 Cb -0.11 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2wvx s GLU 292 CO 0.07 -0.38 0.69 0.41 0.95 0.00 0.00 175.26 177.00 2wvx n GLY 293 N -0.18 -0.28 1.55 -3.83 0.00 -1.26 -2.22 105.19 98.96 2wvx n GLY 293 Ca -0.06 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.17 3.01 3.99 -0.02 0.00 -1.26 -1.73 105.19 108.01 2wvx n GLY 294 Ca -0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.05 5.57 0.38 1.61 2.20 -1.26 -4.94 114.94 116.45 2wvx s ASN 295 Ca 0.16 -0.46 0.05 0.00 -0.94 0.00 0.00 52.86 51.67 2wvx s ASN 295 Cb 0.00 -0.67 0.74 0.00 -2.00 0.00 0.00 41.25 39.32 2wvx s ASN 295 CO 0.11 -0.73 2.00 0.25 -2.94 0.00 0.00 177.10 175.80 2wvx h LEU 296 N 0.72 0.54 -0.76 3.54 5.85 -2.03 -0.93 115.31 122.23 2wvx h LEU 296 Ca -0.40 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2wvx h LEU 296 Cb 1.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2wvx h LEU 296 CO 0.47 0.44 0.50 0.44 -0.34 0.00 0.00 178.44 179.95 2wvx h ASP 297 N 0.61 0.85 -0.31 1.25 3.32 -1.99 -1.29 116.42 118.87 2wvx h ASP 297 Ca 0.16 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 2wvx h ASP 297 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2wvx h ASP 297 CO -0.03 0.61 -0.12 1.56 -1.72 0.00 0.00 179.24 179.54 2wvx h GLN 298 N 1.01 0.62 -0.49 3.56 4.20 -1.59 0.15 115.11 122.57 2wvx h GLN 298 Ca 0.29 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.78 2wvx h GLN 298 Cb -0.08 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2wvx h GLN 298 CO -0.07 0.83 0.25 1.88 -0.67 0.00 0.00 178.83 181.05 2wvx h TYR 299 N 0.39 0.45 -0.39 2.96 0.05 -1.19 0.35 116.97 119.59 2wvx h TYR 299 Ca 0.07 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 2wvx h TYR 299 Cb 0.63 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2wvx h TYR 299 CO 0.06 0.22 -0.21 0.00 -1.05 0.00 0.00 178.16 177.18 2wvx h ARG 300 N 0.48 0.82 -0.32 4.88 3.08 -1.03 -0.30 114.38 121.99 2wvx h ARG 300 Ca 0.22 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2wvx h ARG 300 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wvx h ARG 300 CO -0.16 1.00 0.16 1.15 -1.07 0.00 0.00 179.97 181.06 2wvx h THR 301 N 0.63 1.15 0.22 2.04 2.02 -0.47 -0.61 112.91 117.88 2wvx h THR 301 Ca 0.08 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2wvx h THR 301 Cb 0.77 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2wvx h THR 301 CO 0.06 0.16 -0.10 0.15 0.37 0.00 0.00 175.52 176.15 2wvx h PHE 302 N 0.39 -0.27 0.00 3.16 3.57 -0.10 -1.56 116.94 122.12 2wvx h PHE 302 Ca 0.11 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2wvx h PHE 302 Cb 0.10 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2wvx h PHE 302 CO -0.02 -0.08 -0.43 1.88 -2.23 0.00 0.00 178.31 177.43 2wvx h TYR 303 N -0.41 0.00 -0.33 0.41 0.05 -1.07 -0.83 116.97 114.80 2wvx h TYR 303 Ca -0.03 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.61 2wvx h TYR 303 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 2wvx h TYR 303 CO -0.03 0.43 -0.34 0.77 -1.05 0.00 0.00 178.16 177.94 2wvx h SER 304 N 0.00 0.87 -0.66 3.88 0.02 -1.04 0.00 113.55 116.62 2wvx h SER 304 Ca -0.00 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 2wvx h SER 304 Cb 1.04 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2wvx h SER 304 CO 0.06 1.16 0.12 0.00 -1.14 0.00 0.00 176.83 177.03 2wvx h LEU 306 N 1.03 0.58 -0.53 0.00 5.85 -1.03 -1.35 115.31 119.87 2wvx h LEU 306 Ca 0.21 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2wvx h LEU 306 Cb 0.42 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2wvx h LEU 306 CO 0.01 0.57 0.22 0.22 -0.34 0.00 0.00 178.44 179.11 2wvx h TYR 307 N 0.56 0.38 0.00 1.25 3.20 -0.78 -1.54 116.97 120.04 2wvx h TYR 307 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2wvx h TYR 307 Cb 0.15 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2wvx h TYR 307 CO -0.01 0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.66 2wvx h ARG 308 N 0.41 0.00 -0.01 1.82 2.47 -0.92 -2.28 114.38 115.89 2wvx h ARG 308 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2wvx h ARG 308 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2wvx h ARG 308 CO -0.23 0.00 -0.12 0.43 0.56 0.00 0.00 179.97 180.61 2wvx n SER 309 N -2.79 0.73 -1.19 7.04 7.64 -0.54 -4.01 113.62 120.50 2wvx n SER 309 Ca 0.00 -0.83 -0.06 0.00 1.01 0.00 0.00 58.87 59.00 2wvx n SER 309 Cb 0.24 -0.01 0.13 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.71 3.52 -0.00 -3.43 4.77 -0.86 -4.69 117.00 115.60 2wvx n LEU 310 Ca 0.15 -4.19 -0.01 0.00 -0.03 0.00 0.00 56.01 51.94 2wvx n LEU 310 Cb 0.29 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2wvx n LEU 310 CO 0.23 1.66 -0.53 0.18 -1.33 0.00 0.00 177.39 177.59 2wvx n LEU 311 N -0.93 2.23 -4.16 2.23 4.77 -1.26 -1.04 117.00 118.85 2wvx n LEU 311 Ca 0.28 -0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 2wvx n LEU 311 Cb 0.81 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 2wvx n LEU 311 CO 0.13 0.39 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.75 2wvx s PHE 312 N -2.02 1.32 0.63 -1.77 0.40 -1.26 -3.66 117.98 111.62 2wvx s PHE 312 Ca -0.01 -0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 2wvx s PHE 312 Cb 0.00 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 2wvx s PHE 312 CO 0.03 0.04 1.14 -1.25 0.70 0.00 0.00 175.22 175.88 2wvx s PRO 313 N -1.11 2.89 0.39 0.24 0.04 -1.26 -4.96 135.00 131.23 2wvx s PRO 313 Ca 0.03 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 2wvx s PRO 313 Cb -0.08 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2wvx s PRO 313 CO 0.01 -1.20 0.76 -0.98 0.04 0.00 0.00 177.00 175.63 2wvx s ARG 314 N -3.75 3.81 0.28 4.56 1.70 0.04 -4.79 118.95 120.80 2wvx s ARG 314 Ca 0.71 0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 56.17 2wvx s ARG 314 Cb -0.24 -2.40 -0.13 0.00 -0.57 0.00 0.00 34.95 31.61 2wvx s ARG 314 CO 0.37 -0.00 1.30 1.63 -1.08 0.00 0.00 175.30 177.51 2wvx n LYS 315 N -1.14 1.92 -0.45 3.89 5.02 -0.11 -1.67 118.16 125.62 2wvx n LYS 315 Ca 0.03 0.68 0.05 0.00 -2.02 0.00 0.00 58.31 57.04 2wvx n LYS 315 Cb 0.54 -2.26 0.07 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.12 0.00 -4.27 2.13 7.35 -1.26 -4.80 117.46 117.73 2wvx n PHE 316 Ca 0.09 -0.56 -0.24 0.00 -0.76 0.00 0.00 57.45 55.98 2wvx n PHE 316 Cb 0.33 -0.12 -0.08 0.00 0.35 0.00 0.00 39.48 39.96 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 -1.37 2.59 0.13 -5.13 -0.85 -1.26 -4.44 117.35 107.01 2wvx s TYR 317 Ca 0.19 -0.46 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 2wvx s TYR 317 Cb 0.18 -1.60 -0.04 0.00 0.38 0.00 0.00 41.96 40.88 2wvx s TYR 317 CO -0.01 0.41 0.03 -1.21 -1.52 0.00 0.00 175.55 173.24 2wvx s GLU 318 N -3.77 0.92 -0.19 -3.49 2.02 0.83 -4.95 118.70 110.08 2wvx s GLU 318 Ca 0.36 -1.43 -0.07 0.00 0.02 0.00 0.00 54.97 53.86 2wvx s GLU 318 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 2wvx s GLU 318 CO 0.20 -0.20 0.05 -0.51 0.02 0.00 0.00 175.26 174.82 2wvx s LEU 319 N -3.06 3.69 0.00 1.80 1.02 -1.26 -0.71 118.68 120.16 2wvx s LEU 319 Ca 0.21 0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.30 2wvx s LEU 319 Cb 0.07 -1.93 0.12 0.00 0.02 0.00 0.00 46.19 44.47 2wvx s LEU 319 CO 0.00 0.15 0.75 -0.90 0.02 0.00 0.00 176.35 176.37 2wvx n ASP 320 N 3.70 0.20 0.17 2.29 5.68 0.84 -4.78 116.55 124.64 2wvx n ASP 320 Ca -0.17 -1.36 0.18 0.00 -0.50 0.00 0.00 54.79 52.95 2wvx n ASP 320 Cb 0.52 -0.56 0.80 0.00 -1.14 0.00 0.00 41.12 40.74 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 -1.63 1.91 -0.56 2.12 0.00 -1.98 0.24 119.26 119.36 2wvx h ALA 321 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wvx h ALA 321 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wvx h ALA 321 CO 0.18 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.10 2wvx n ASN 322 N -3.76 4.76 -0.06 0.00 3.02 -1.26 -4.94 115.26 113.01 2wvx n ASN 322 Ca 0.04 -2.61 -0.01 0.00 -0.03 0.00 0.00 54.58 51.97 2wvx n ASN 322 Cb 0.43 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 0.74 0.48 3.90 7.41 0.00 0.85 -5.04 105.19 113.54 2wvx n GLY 323 Ca 0.25 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.86 3.56 0.23 1.61 -1.52 -1.26 -4.70 119.66 116.72 2wvx s GLN 324 Ca 0.00 -0.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 2wvx s GLN 324 Cb 0.00 -2.96 -0.09 0.00 -0.22 0.00 0.00 33.01 29.75 2wvx s GLN 324 CO 0.00 0.55 1.12 -1.25 -0.25 0.00 0.00 175.29 175.46 2wvx s PRO 325 N -2.42 4.59 0.12 2.91 0.04 -1.26 -0.11 135.00 138.87 2wvx s PRO 325 Ca 0.36 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2wvx s PRO 325 Cb -0.13 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2wvx s PRO 325 CO 0.24 0.10 0.06 0.96 0.04 0.00 0.00 177.00 178.40 2wvx s ILE 326 N -0.65 0.12 -0.11 0.56 -4.36 0.11 -0.39 121.20 116.48 2wvx s ILE 326 Ca 0.48 -1.86 -0.15 0.00 -0.26 0.00 0.00 60.65 58.85 2wvx s ILE 326 Cb -0.31 -1.95 0.04 0.00 1.25 0.00 0.00 42.46 41.48 2wvx s ILE 326 CO 0.38 -0.53 0.40 -1.38 0.24 0.00 0.00 174.94 174.05 2wvx s HIS 327 N -4.02 -0.40 0.18 1.37 -3.43 -0.03 -0.12 115.29 108.84 2wvx s HIS 327 Ca 0.21 0.90 -0.31 0.00 -0.80 0.00 0.00 55.06 55.06 2wvx s HIS 327 Cb 0.07 0.15 -0.09 0.00 -1.43 0.00 0.00 32.58 31.29 2wvx s HIS 327 CO -0.00 -0.28 1.39 -0.47 -2.00 0.00 0.00 174.74 173.38 2wvx s TYR 328 N -0.24 3.18 -0.33 0.38 5.04 -1.26 -0.83 117.35 123.28 2wvx s TYR 328 Ca -0.04 1.02 -0.25 0.00 -2.44 0.00 0.00 57.07 55.37 2wvx s TYR 328 Cb -0.03 -3.71 0.01 0.00 0.35 0.00 0.00 41.96 38.57 2wvx s TYR 328 CO 0.02 -2.39 0.86 0.45 -1.34 0.00 0.00 175.55 173.15 2wvx s SER 329 N 0.68 6.69 0.00 4.32 0.15 0.63 -4.90 113.70 121.27 2wvx s SER 329 Ca 0.61 0.66 0.18 0.00 0.70 0.00 0.00 55.95 58.11 2wvx s SER 329 Cb -0.39 -2.44 1.10 0.00 -1.71 0.00 0.00 66.02 62.59 2wvx s SER 329 CO 0.36 -0.72 1.62 -0.81 1.20 0.00 0.00 173.24 174.90 2wvx n PRO 330 N 6.44 0.87 -0.11 5.44 -0.04 -1.26 -0.78 135.00 145.56 2wvx n PRO 330 Ca 0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 2wvx n PRO 330 Cb 0.48 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.83 0.00 -0.50 0.54 4.01 -1.26 -4.00 117.16 115.12 2wvx n TYR 331 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2wvx n TYR 331 Cb 0.06 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.23 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 -3.13 0.71 0.00 7.72 0.23 -1.23 -4.85 115.26 114.70 2wvx n ASN 332 Ca -0.39 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 2wvx n ASN 332 Cb 0.93 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.11 0.64 3.90 4.83 0.00 0.04 -5.02 105.19 109.49 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 -0.33 3.10 -0.26 1.61 -0.21 -1.26 -4.73 119.66 117.57 2wvx s GLN 334 Ca 0.00 0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.51 2wvx s GLN 334 Cb 0.00 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 2wvx s GLN 334 CO 0.00 -0.66 0.10 0.08 -2.12 0.00 0.00 175.29 172.68 2wvx s VAL 335 N -3.04 4.50 0.10 1.09 1.01 -1.26 -0.27 120.40 122.52 2wvx s VAL 335 Ca 0.54 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2wvx s VAL 335 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2wvx s VAL 335 CO 0.47 0.30 -0.08 -0.76 0.00 0.00 0.00 175.10 175.03 2wvx s LEU 336 N 1.64 2.46 0.60 3.92 1.43 -0.01 -4.93 118.68 123.79 2wvx s LEU 336 Ca 0.06 -0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 52.08 2wvx s LEU 336 Cb -0.15 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2wvx s LEU 336 CO 0.05 -0.37 1.09 -2.16 0.23 0.00 0.00 176.35 175.19 2wvx s PRO 337 N -3.35 3.18 0.00 1.29 0.04 -1.26 -0.85 135.00 134.05 2wvx s PRO 337 Ca 0.09 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2wvx s PRO 337 Cb 0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wvx s PRO 337 CO -0.02 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2wvx n GLY 338 N -0.59 1.92 3.28 0.56 0.00 0.48 -4.79 105.19 106.04 2wvx n GLY 338 Ca 0.10 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 2wvx n GLY 338 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wvx n TYR 339 N 0.60 -3.84 -3.57 1.61 4.01 -1.26 -3.84 117.16 110.87 2wvx n TYR 339 Ca 0.00 -0.92 -0.06 0.00 -0.16 0.00 0.00 57.90 56.76 2wvx n TYR 339 Cb 0.00 -1.08 -0.02 0.00 -0.31 0.00 0.00 39.34 37.93 2wvx n TYR 339 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2wvx s PHE 341 N -2.80 -0.19 0.16 -0.72 0.40 -1.26 -3.95 117.98 109.62 2wvx s PHE 341 Ca 0.67 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 2wvx s PHE 341 Cb -0.07 0.52 0.02 0.00 0.51 0.00 0.00 43.02 43.99 2wvx s PHE 341 CO 0.51 -0.29 0.28 -2.37 0.70 0.00 0.00 175.22 174.06 2wvx n THR 342 N -0.05 0.00 -2.62 0.64 5.66 -0.67 -4.85 114.28 112.38 2wvx n THR 342 Ca -0.02 -0.52 -0.08 0.00 -3.05 0.00 0.00 64.05 60.38 2wvx n THR 342 Cb 0.59 0.42 0.04 0.00 -1.55 0.00 0.00 70.33 69.83 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 -1.46 -2.29 -3.77 1.09 8.00 -0.61 -0.78 116.55 116.73 2wvx n ASP 343 Ca -0.02 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.06 2wvx n ASP 343 Cb 0.24 -2.67 -0.08 0.00 -0.02 0.00 0.00 41.12 38.59 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 -3.17 0.07 -0.25 -3.53 -1.32 -1.09 -4.47 115.64 101.88 2wvx s THR 344 Ca 0.03 -0.55 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 2wvx s THR 344 Cb -0.00 -0.69 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 2wvx s THR 344 CO 0.34 -0.30 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.57 2wvx s GLY 345 N -1.53 1.65 0.39 6.08 0.00 -1.26 -2.63 107.32 110.02 2wvx s GLY 345 Ca -0.11 -1.49 0.06 0.00 0.00 0.00 0.00 44.72 43.18 2wvx s GLY 345 CO 0.02 0.54 2.00 0.74 0.00 0.00 0.00 173.10 176.41 2wvx h PHE 346 N 8.02 0.51 -1.04 1.90 0.04 -1.44 -0.80 116.94 124.13 2wvx h PHE 346 Ca -0.31 -0.01 0.27 0.00 2.80 0.00 0.00 57.97 60.72 2wvx h PHE 346 Cb 1.10 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 39.00 2wvx h PHE 346 CO 0.58 0.38 0.68 2.35 -0.60 0.00 0.00 178.31 181.70 2wvx h TRP 347 N 0.53 0.60 0.00 -0.55 7.01 -1.82 -0.85 115.95 120.86 2wvx h TRP 347 Ca 0.13 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2wvx h TRP 347 Cb 0.06 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2wvx h TRP 347 CO 0.00 0.06 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.26 2wvx h ASP 348 N 0.36 0.00 0.46 2.65 3.45 -1.53 -3.43 116.42 118.38 2wvx h ASP 348 Ca 0.58 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.89 2wvx h ASP 348 Cb 1.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.31 2wvx h ASP 348 CO -0.27 0.58 -0.13 0.35 -1.57 0.00 0.00 179.24 178.21 2wvx n THR 349 N -4.75 0.00 0.02 0.35 -2.24 -0.72 -3.38 114.28 103.56 2wvx n THR 349 Ca -0.02 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 2wvx n THR 349 Cb 0.08 -0.12 0.27 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.43 0.51 0.34 4.78 -0.00 -1.43 -1.78 116.94 119.79 2wvx h PHE 350 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.97 57.88 2wvx h PHE 350 Cb 0.39 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 2wvx h PHE 350 CO 0.00 0.58 -0.16 0.00 -0.00 0.00 0.00 178.31 178.72 2wvx h ARG 351 N 0.45 -0.44 0.00 6.09 3.08 -1.81 -3.42 114.38 118.33 2wvx h ARG 351 Ca 0.09 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2wvx h ARG 351 Cb 0.46 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2wvx h ARG 351 CO 0.03 -0.28 0.00 0.00 -1.07 0.00 0.00 179.97 178.64 2wvx h LEU 353 N 0.00 -0.13 -0.62 0.00 7.12 -1.79 -0.73 115.31 119.15 2wvx h LEU 353 Ca 0.00 -0.25 -0.08 0.00 0.13 0.00 0.00 57.88 57.69 2wvx h LEU 353 Cb 0.00 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 2wvx h LEU 353 CO 0.00 0.18 0.09 -0.26 -0.13 0.00 0.00 178.44 178.32 2wvx h PHE 354 N -0.46 1.11 -0.47 1.25 0.04 -1.58 -1.99 116.94 114.84 2wvx h PHE 354 Ca -0.02 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.62 2wvx h PHE 354 Cb 0.37 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2wvx h PHE 354 CO 0.02 0.95 0.31 -1.35 -0.60 0.00 0.00 178.31 177.64 2wvx h PRO 355 N 0.95 0.52 -0.77 1.51 0.11 -1.78 -0.50 132.00 132.04 2wvx h PRO 355 Ca 0.19 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2wvx h PRO 355 Cb 0.45 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 2wvx h PRO 355 CO 0.01 0.34 0.41 1.25 -0.21 0.00 0.00 178.00 179.81 2wvx h LEU 356 N 0.53 0.95 -0.58 2.35 5.85 -0.37 -1.42 115.31 122.62 2wvx h LEU 356 Ca 0.19 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2wvx h LEU 356 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2wvx h LEU 356 CO -0.05 0.77 0.09 -0.07 -0.34 0.00 0.00 178.44 178.84 2wvx h LEU 357 N 1.07 0.93 -1.84 2.25 3.38 -0.87 -2.70 115.31 117.54 2wvx h LEU 357 Ca 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2wvx h LEU 357 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2wvx h LEU 357 CO -0.04 0.96 -0.14 0.78 0.09 0.00 0.00 178.44 180.08 2wvx h ASN 358 N 0.87 0.00 0.81 -0.43 -0.26 -0.64 0.12 115.58 116.04 2wvx h ASN 358 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2wvx h ASN 358 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 2wvx h ASN 358 CO 0.01 0.14 -0.12 -0.11 -1.06 0.00 0.00 177.43 176.29 2wvx n LEU 359 N -3.76 0.15 -2.07 1.61 7.94 -0.60 -4.43 117.00 115.83 2wvx n LEU 359 Ca -0.02 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2wvx n LEU 359 Cb 0.25 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.79 2wvx n LEU 359 CO 0.31 0.04 0.00 -1.22 -1.11 0.00 0.00 177.39 175.41 2wvx n TYR 361 N -1.44 0.00 0.26 1.96 4.01 0.32 -4.78 117.16 117.48 2wvx n TYR 361 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.92 2wvx n TYR 361 Cb 0.33 -0.09 0.69 0.00 -0.31 0.00 0.00 39.34 39.95 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 2.01 0.00 -0.22 -0.72 0.13 -1.48 -0.94 132.00 130.78 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 0.09 0.06 0.66 -0.23 0.00 0.00 178.00 178.58 2wvx h SER 363 N 0.00 0.27 0.01 1.44 4.64 -1.96 -0.55 113.55 117.41 2wvx h SER 363 Ca -0.00 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 2wvx h SER 363 Cb 0.19 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2wvx h SER 363 CO 0.01 0.28 -0.79 0.58 -0.87 0.00 0.00 176.83 176.04 2wvx h VAL 364 N 0.31 1.37 0.00 0.95 2.07 -1.53 -3.15 116.25 116.27 2wvx h VAL 364 Ca 0.08 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.37 2wvx h VAL 364 Cb 0.12 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2wvx h VAL 364 CO -0.00 0.65 -0.23 -1.13 0.02 0.00 0.00 177.57 176.88 2wvx h ASN 365 N 0.07 0.00 -0.68 0.57 -1.24 -1.26 -1.34 115.58 111.69 2wvx h ASN 365 Ca -0.10 0.00 0.06 0.00 0.71 0.00 0.00 56.30 56.97 2wvx h ASN 365 Cb 1.49 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.48 2wvx h ASN 365 CO 0.16 0.23 0.38 0.50 -1.29 0.00 0.00 177.43 177.40 2wvx h LYS 366 N 0.00 0.67 -1.20 6.67 1.63 -1.07 0.18 116.57 123.45 2wvx h LYS 366 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wvx h LYS 366 Cb 0.56 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2wvx h LYS 366 CO 0.03 0.45 0.00 0.39 -3.45 0.00 0.00 179.45 176.87 2wvx n GLU 367 N -4.78 0.16 0.00 1.90 1.02 -0.51 -2.03 120.64 116.40 2wvx n GLU 367 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2wvx n GLU 367 Cb 0.18 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 -0.12 3.49 1.13 0.64 -1.21 117.38 122.04 2wvx n GLN 369 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2wvx n GLN 369 Cb 0.07 0.00 0.21 0.00 0.11 0.00 0.00 30.24 30.62 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 0.80 -0.78 -1.09 4.39 -1.65 -1.83 114.58 114.42 2wvx h GLU 370 Ca 0.00 -0.16 0.08 0.00 0.34 0.00 0.00 59.36 59.63 2wvx h GLU 370 Cb 0.00 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.46 2wvx h GLU 370 CO 0.00 0.72 0.44 0.78 -1.16 0.00 0.00 179.01 179.79 2wvx h GLY 371 N 0.95 1.18 1.06 -3.84 0.00 -1.28 -2.09 103.07 99.06 2wvx h GLY 371 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2wvx h GLY 371 CO -0.00 0.14 -0.02 1.41 0.00 0.00 0.00 176.54 178.07 2wvx h LEU 372 N 0.76 1.00 -0.32 3.11 3.38 -1.65 0.24 115.31 121.83 2wvx h LEU 372 Ca 0.37 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2wvx h LEU 372 Cb 0.30 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2wvx h LEU 372 CO -0.23 1.07 0.08 0.40 0.09 0.00 0.00 178.44 179.86 2wvx h ILE 373 N 0.90 0.87 -0.68 1.22 1.08 -1.19 -1.10 117.51 118.62 2wvx h ILE 373 Ca 0.16 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2wvx h ILE 373 Cb 0.57 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2wvx h ILE 373 CO 0.03 0.04 0.45 0.78 -0.69 0.00 0.00 178.15 178.76 2wvx h ASN 374 N 0.20 0.75 -0.64 1.72 -0.26 -0.87 -0.29 115.58 116.20 2wvx h ASN 374 Ca 0.15 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 2wvx h ASN 374 Cb 0.14 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 2wvx h ASN 374 CO -0.18 0.53 0.35 0.74 -1.06 0.00 0.00 177.43 177.81 2wvx h THR 375 N 0.88 1.21 -0.49 2.81 2.02 -0.18 0.81 112.91 119.97 2wvx h THR 375 Ca 0.26 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 2wvx h THR 375 Cb -0.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2wvx h THR 375 CO -0.06 0.23 -0.02 0.22 0.37 0.00 0.00 175.52 176.26 2wvx h TYR 376 N 0.88 0.96 -0.28 3.16 3.20 -0.47 0.12 116.97 124.53 2wvx h TYR 376 Ca 0.23 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2wvx h TYR 376 Cb 0.05 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2wvx h TYR 376 CO -0.01 0.91 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.23 2wvx h LEU 377 N 0.73 0.46 0.00 2.82 3.38 -0.77 0.13 115.31 122.05 2wvx h LEU 377 Ca 0.14 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2wvx h LEU 377 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2wvx h LEU 377 CO 0.03 0.61 -1.11 -0.33 0.09 0.00 0.00 178.44 177.73 2wvx h GLU 378 N 0.44 0.00 0.00 1.13 5.08 -0.57 -3.39 114.58 117.27 2wvx h GLU 378 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wvx h GLU 378 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wvx h GLU 378 CO 0.03 0.21 -0.44 -1.13 -1.00 0.00 0.00 179.01 176.67 2wvx n SER 379 N -2.87 2.21 0.00 1.42 3.41 0.01 -4.36 113.62 113.43 2wvx n SER 379 Ca -0.05 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2wvx n SER 379 Cb 0.72 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 1.60 1.97 2.96 5.00 0.00 0.44 -5.02 105.19 112.13 2wvx n GLY 380 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 0.24 0.60 1.61 0.40 -1.25 -4.96 117.98 112.28 2wvx s PHE 381 Ca 0.00 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 2wvx s PHE 381 Cb 0.00 -0.17 -0.03 0.00 0.51 0.00 0.00 43.02 43.33 2wvx s PHE 381 CO 0.00 -0.14 1.19 -0.06 0.70 0.00 0.00 175.22 176.91 2wvx s PHE 382 N -1.12 2.43 0.68 0.36 0.08 -1.26 -3.62 117.98 115.53 2wvx s PHE 382 Ca -0.12 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.35 2wvx s PHE 382 Cb -0.08 -3.43 -0.00 0.00 -0.57 0.00 0.00 43.02 38.94 2wvx s PHE 382 CO -0.01 -2.09 1.06 -1.25 -0.10 0.00 0.00 175.22 172.83 2wvx s PRO 383 N -3.41 3.07 0.09 0.24 0.04 -1.26 -4.55 135.00 129.22 2wvx s PRO 383 Ca 0.76 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 2wvx s PRO 383 Cb -0.28 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2wvx s PRO 383 CO 0.33 -0.95 -0.01 0.39 0.04 0.00 0.00 177.00 176.80 2wvx n GLU 384 N -3.00 0.01 -4.26 4.56 -0.58 -1.26 -4.54 120.64 111.58 2wvx n GLU 384 Ca 0.07 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.48 2wvx n GLU 384 Cb 0.55 -0.53 -0.15 0.00 -0.57 0.00 0.00 31.44 30.74 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 -2.02 2.86 -0.08 -0.32 0.52 -1.26 -1.03 118.94 117.61 2wvx s TRP 385 Ca -0.01 -1.03 0.01 0.00 0.02 0.00 0.00 56.10 55.10 2wvx s TRP 385 Cb 0.00 -1.97 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2wvx s TRP 385 CO 0.01 -0.51 -0.09 0.00 0.02 0.00 0.00 176.95 176.38 2wvx s ALA 386 N 1.07 1.17 -0.39 0.98 0.00 -1.08 -1.19 121.76 122.33 2wvx s ALA 386 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2wvx s ALA 386 Cb -0.15 -0.68 0.19 0.00 0.00 0.00 0.00 23.12 22.48 2wvx s ALA 386 CO -0.03 -0.12 0.81 0.45 0.00 0.00 0.00 175.76 176.87 2wvx s SER 387 N 1.13 -1.06 0.15 0.00 0.15 -1.26 -1.57 113.70 111.24 2wvx s SER 387 Ca -0.06 -0.64 0.11 0.00 0.70 0.00 0.00 55.95 56.06 2wvx s SER 387 Cb -0.14 1.36 -0.12 0.00 -1.71 0.00 0.00 66.02 65.40 2wvx s SER 387 CO -0.02 -0.10 1.23 1.55 1.20 0.00 0.00 173.24 177.10 2wvx h PRO 388 N 6.12 0.00 0.00 5.44 0.13 -1.78 -3.43 132.00 138.49 2wvx h PRO 388 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 2wvx h PRO 388 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2wvx h PRO 388 CO 0.02 0.73 0.01 0.41 -0.23 0.00 0.00 178.00 178.95 2wvx n GLY 389 N 1.34 0.46 3.71 1.56 0.00 0.33 -4.70 105.19 107.88 2wvx n GLY 389 Ca -0.02 -1.92 -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 -0.20 2.79 0.01 1.61 3.76 -1.26 -4.25 115.29 117.75 2wvx s HIS 390 Ca 0.05 0.40 0.07 0.00 -0.15 0.00 0.00 55.06 55.43 2wvx s HIS 390 Cb -0.00 -4.04 -0.02 0.00 1.11 0.00 0.00 32.58 29.63 2wvx s HIS 390 CO 0.03 -3.98 -0.22 1.03 -0.85 0.00 0.00 174.74 170.76 2wvx s ARG 391 N 1.60 1.64 -0.69 1.40 1.81 -0.33 -4.40 118.95 119.98 2wvx s ARG 391 Ca 0.74 -0.89 -0.27 0.00 -1.72 0.00 0.00 55.73 53.59 2wvx s ARG 391 Cb -0.45 -1.68 0.04 0.00 -0.45 0.00 0.00 34.95 32.40 2wvx s ARG 391 CO 0.32 0.45 1.21 0.20 -0.68 0.00 0.00 175.30 176.80 2wvx s GLY 392 N -0.86 1.02 -0.48 -3.53 0.00 -1.26 -4.48 107.32 97.73 2wvx s GLY 392 Ca 0.09 -1.31 0.05 0.00 0.00 0.00 0.00 44.72 43.55 2wvx s GLY 392 CO 0.01 2.52 0.87 0.00 0.00 0.00 0.00 173.10 176.49 2wvx s VAL 395 N 0.75 2.02 0.00 0.00 -7.23 -1.26 -4.64 120.40 110.04 2wvx s VAL 395 Ca 0.30 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2wvx s VAL 395 Cb 0.12 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2wvx s VAL 395 CO -0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2wvx n GLY 396 N -1.47 0.49 2.21 2.32 0.00 -1.26 -4.64 105.19 102.84 2wvx n GLY 396 Ca -0.02 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.51 4.84 0.00 1.61 4.05 -1.26 -4.87 115.26 119.12 2wvx n ASN 397 Ca 0.00 -3.74 0.11 0.00 0.45 0.00 0.00 54.58 51.40 2wvx n ASN 397 Cb 0.00 -0.39 0.57 0.00 1.23 0.00 0.00 39.78 41.19 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 -0.61 0.00 -0.33 1.20 3.02 -1.26 -1.42 115.26 115.85 2wvx n ASN 398 Ca 0.42 -0.01 0.26 0.00 -0.03 0.00 0.00 54.58 55.22 2wvx n ASN 398 Cb 0.84 -0.30 0.56 0.00 -0.61 0.00 0.00 39.78 40.27 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 0.36 -0.80 6.41 4.64 -1.90 -1.45 113.55 120.81 2wvx h SER 399 Ca 0.00 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2wvx h SER 399 Cb 0.22 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 2wvx h SER 399 CO 0.00 0.05 0.52 0.00 -0.87 0.00 0.00 176.83 176.53 2wvx h ALA 400 N 1.59 1.03 -0.18 5.18 0.00 -1.60 0.49 119.26 125.77 2wvx h ALA 400 Ca 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2wvx h ALA 400 Cb 1.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2wvx h ALA 400 CO -0.26 0.37 0.05 1.03 0.00 0.00 0.00 179.25 180.44 2wvx h SER 401 N 1.04 0.27 -0.08 0.00 0.87 -1.50 -0.86 113.55 113.29 2wvx h SER 401 Ca 0.31 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2wvx h SER 401 Cb -0.06 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 2wvx h SER 401 CO -0.09 0.42 -0.18 0.40 -0.53 0.00 0.00 176.83 176.85 2wvx h ILE 402 N 0.11 0.55 -0.49 2.23 1.08 -0.93 0.48 117.51 120.53 2wvx h ILE 402 Ca 0.06 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.40 2wvx h ILE 402 Cb 0.25 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2wvx h ILE 402 CO -0.00 0.00 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.20 2wvx h LEU 403 N -0.25 1.01 0.06 1.44 3.38 -0.87 -2.48 115.31 117.60 2wvx h LEU 403 Ca 0.08 -0.38 -0.28 0.00 0.09 0.00 0.00 57.88 57.38 2wvx h LEU 403 Cb 0.36 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.86 2wvx h LEU 403 CO -0.22 1.17 -1.18 0.58 0.09 0.00 0.00 178.44 178.88 2wvx h VAL 404 N 0.85 1.31 -0.99 1.22 2.07 -1.01 -2.56 116.25 117.14 2wvx h VAL 404 Ca 0.12 -2.47 0.01 0.00 0.82 0.00 0.00 66.70 65.17 2wvx h VAL 404 Cb 0.76 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 2wvx h VAL 404 CO 0.06 0.75 0.65 -0.78 0.02 0.00 0.00 177.57 178.27 2wvx h ASP 405 N 0.28 1.15 0.21 0.57 3.58 -0.86 -2.46 116.42 118.90 2wvx h ASP 405 Ca -0.16 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 2wvx h ASP 405 Cb 1.84 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2wvx h ASP 405 CO 0.22 0.84 -0.10 0.00 -2.88 0.00 0.00 179.24 177.32 2wvx h ALA 406 N 1.36 -0.29 0.00 -0.78 0.00 -1.45 -1.81 119.26 116.29 2wvx h ALA 406 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wvx h ALA 406 Cb -0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wvx h ALA 406 CO -0.08 -0.58 0.00 0.98 0.00 0.00 0.00 179.25 179.58 2wvx n TYR 407 N -5.14 0.00 -0.04 0.00 4.19 -0.93 -0.77 117.16 114.48 2wvx n TYR 407 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 2wvx n TYR 407 Cb 0.19 -0.02 0.00 0.00 0.49 0.00 0.00 39.34 40.00 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 0.51 -0.08 -1.00 2.98 5.02 -0.68 -4.03 118.16 120.87 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 0.48 3.37 0.72 0.00 -1.06 -4.99 105.19 103.70 2wvx n GLY 410 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.96 5.38 -0.23 1.61 1.01 0.05 -5.03 120.40 121.23 2wvx s VAL 411 Ca 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 61.98 59.63 2wvx s VAL 411 Cb 0.00 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2wvx s VAL 411 CO 0.00 -1.19 0.01 -0.54 0.00 0.00 0.00 175.10 173.38 2wvx s LYS 412 N 0.79 3.54 0.82 2.72 1.02 -1.26 -2.97 119.74 124.41 2wvx s LYS 412 Ca 0.23 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 2wvx s LYS 412 Cb -0.08 -3.15 0.09 0.00 -0.52 0.00 0.00 37.83 34.17 2wvx s LYS 412 CO -0.09 -0.15 1.11 0.14 -0.92 0.00 0.00 175.35 175.44 2wvx s VAL 413 N 1.42 2.92 0.19 3.17 -7.23 -1.26 -4.94 120.40 114.67 2wvx s VAL 413 Ca 0.05 0.30 0.18 0.00 -1.81 0.00 0.00 61.98 60.70 2wvx s VAL 413 Cb -0.15 -2.64 0.13 0.00 0.56 0.00 0.00 36.38 34.28 2wvx s VAL 413 CO 0.01 -0.39 1.74 0.44 -0.31 0.00 0.00 175.10 176.58 2wvx h ASP 414 N -1.37 0.00 -3.19 4.85 3.32 -1.97 -3.37 116.42 114.69 2wvx h ASP 414 Ca -0.44 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.96 2wvx h ASP 414 Cb 1.24 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.40 2wvx h ASP 414 CO 0.48 0.38 -0.37 -0.62 -1.72 0.00 0.00 179.24 177.39 2wvx s ASP 415 N -6.47 5.33 0.32 6.45 -1.08 -1.26 -4.88 116.67 115.07 2wvx s ASP 415 Ca -0.00 -3.82 0.08 0.00 -0.52 0.00 0.00 52.55 48.29 2wvx s ASP 415 Cb 0.11 -1.75 0.53 0.00 -1.46 0.00 0.00 42.92 40.35 2wvx s ASP 415 CO 0.69 -0.12 1.75 0.40 0.52 0.00 0.00 175.17 178.41 2wvx h ILE 416 N 4.24 1.29 -0.16 4.11 2.04 -1.99 -1.79 117.51 125.24 2wvx h ILE 416 Ca 0.15 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.67 2wvx h ILE 416 Cb 0.78 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2wvx h ILE 416 CO 0.78 0.41 -0.02 0.50 0.00 0.00 0.00 178.15 179.82 2wvx h LYS 417 N 0.19 0.03 -0.21 2.37 3.64 -1.96 -1.63 116.57 118.99 2wvx h LYS 417 Ca 0.02 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2wvx h LYS 417 Cb 0.73 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2wvx h LYS 417 CO 0.05 0.02 -0.44 1.15 -2.27 0.00 0.00 179.45 177.97 2wvx h THR 418 N 0.03 1.31 -0.17 1.00 2.02 -1.92 -2.01 112.91 113.17 2wvx h THR 418 Ca 0.08 -1.62 0.05 0.00 0.77 0.00 0.00 66.41 65.69 2wvx h THR 418 Cb 0.11 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 2wvx h THR 418 CO -0.15 0.50 -0.33 0.25 0.37 0.00 0.00 175.52 176.16 2wvx h LEU 419 N 0.41 -1.05 -0.32 2.58 5.85 -1.08 0.16 115.31 121.87 2wvx h LEU 419 Ca 0.03 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2wvx h LEU 419 Cb 0.93 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2wvx h LEU 419 CO 0.08 -0.36 0.01 0.22 -0.34 0.00 0.00 178.44 178.05 2wvx h TYR 420 N -0.39 0.60 -0.54 1.25 3.20 -1.10 -1.41 116.97 118.59 2wvx h TYR 420 Ca 0.10 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2wvx h TYR 420 Cb 0.55 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2wvx h TYR 420 CO -0.44 0.67 0.18 0.93 -1.64 0.00 0.00 178.16 177.87 2wvx h GLU 421 N 0.36 0.34 -0.88 1.82 5.08 -1.21 -1.02 114.58 119.06 2wvx h GLU 421 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2wvx h GLU 421 Cb 0.43 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2wvx h GLU 421 CO 0.01 0.22 0.49 0.78 -1.00 0.00 0.00 179.01 179.52 2wvx h GLY 422 N 0.35 1.32 0.99 -3.84 0.00 -0.41 -0.46 103.07 101.02 2wvx h GLY 422 Ca 0.27 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2wvx h GLY 422 CO -0.29 0.57 0.00 1.41 0.00 0.00 0.00 176.54 178.24 2wvx h LEU 423 N 1.23 0.00 -1.00 3.11 3.38 -0.61 -2.16 115.31 119.26 2wvx h LEU 423 Ca 0.31 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2wvx h LEU 423 Cb 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wvx h LEU 423 CO -0.05 0.02 0.35 0.40 0.09 0.00 0.00 178.44 179.25 2wvx h ILE 424 N -0.01 1.24 -0.78 1.22 1.08 -0.94 -2.54 117.51 116.78 2wvx h ILE 424 Ca 0.00 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2wvx h ILE 424 Cb 0.01 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.01 2wvx h ILE 424 CO -0.00 0.28 0.39 -0.74 -0.69 0.00 0.00 178.15 177.39 2wvx h HIS 425 N 1.06 1.10 0.00 1.37 2.76 -0.88 -1.87 115.15 118.68 2wvx h HIS 425 Ca 0.26 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2wvx h HIS 425 Cb 0.11 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 2wvx h HIS 425 CO 0.01 0.79 -0.12 0.78 -1.30 0.00 0.00 177.93 178.08 2wvx h GLY 426 N 1.14 0.00 2.00 5.26 0.00 -0.95 -2.78 103.07 107.73 2wvx h GLY 426 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2wvx h GLY 426 CO -0.04 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.59 2wvx h THR 427 N 0.00 0.00 0.00 4.70 1.35 -1.25 -3.23 112.91 114.47 2wvx h THR 427 Ca -0.00 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2wvx h THR 427 Cb 0.25 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2wvx h THR 427 CO 0.02 0.00 -0.34 -1.84 -0.25 0.00 0.00 175.52 173.11 2wvx n GLU 428 N -2.86 0.42 -3.86 4.72 0.28 -1.06 -4.90 120.64 113.37 2wvx n GLU 428 Ca 0.01 -1.51 -0.10 0.00 -0.16 0.00 0.00 57.16 55.39 2wvx n GLU 428 Cb 0.29 -0.82 -0.09 0.00 1.43 0.00 0.00 31.44 32.25 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 -1.61 0.05 -0.01 -1.84 0.01 -1.16 -5.03 114.94 105.35 2wvx s ASN 429 Ca 0.10 -0.35 0.07 0.00 -0.71 0.00 0.00 52.86 51.98 2wvx s ASN 429 Cb 0.09 0.26 -0.02 0.00 0.41 0.00 0.00 41.25 41.99 2wvx s ASN 429 CO 0.01 -0.50 -0.23 0.54 -1.51 0.00 0.00 177.10 175.41 2wvx s VAL 430 N -2.26 1.81 0.25 1.60 0.11 -1.26 -0.63 120.40 120.01 2wvx s VAL 430 Ca -0.08 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.66 2wvx s VAL 430 Cb -0.03 -1.50 -0.11 0.00 -1.53 0.00 0.00 36.38 33.21 2wvx s VAL 430 CO -0.02 0.48 1.55 -2.28 -3.33 0.00 0.00 175.10 171.50 2wvx s HIS 431 N -0.56 2.91 0.31 1.54 2.46 0.51 -4.88 115.29 117.58 2wvx s HIS 431 Ca 0.09 0.79 0.33 0.00 0.47 0.00 0.00 55.06 56.74 2wvx s HIS 431 Cb -0.09 -3.97 1.57 0.00 -0.13 0.00 0.00 32.58 29.96 2wvx s HIS 431 CO -0.01 -3.33 2.07 -1.00 -2.47 0.00 0.00 174.74 170.01 2wvx h PRO 432 N 5.47 0.00 0.00 2.88 0.13 -1.99 -3.13 132.00 135.36 2wvx h PRO 432 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2wvx h PRO 432 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2wvx h PRO 432 CO 0.83 0.06 -1.65 0.39 -0.23 0.00 0.00 178.00 177.40 2wvx n GLU 433 N -3.28 0.67 -3.87 0.86 -0.58 -1.26 -4.91 120.64 108.28 2wvx n GLU 433 Ca -0.01 -0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.33 2wvx n GLU 433 Cb 0.25 -1.32 -0.15 0.00 -0.57 0.00 0.00 31.44 29.66 2wvx n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wvx s VAL 434 N -2.82 1.48 0.14 2.62 1.01 -1.18 -4.96 120.40 116.69 2wvx s VAL 434 Ca -0.05 -1.73 0.34 0.00 0.00 0.00 0.00 61.98 60.55 2wvx s VAL 434 Cb 0.08 -2.06 0.40 0.00 0.00 0.00 0.00 36.38 34.79 2wvx s VAL 434 CO 0.54 -0.57 2.01 0.77 0.00 0.00 0.00 175.10 177.85 2wvx h SER 435 N 7.89 0.00 -0.03 3.32 4.64 -1.91 -1.37 113.55 126.08 2wvx h SER 435 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2wvx h SER 435 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wvx h SER 435 CO 0.48 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.90 2wvx n SER 436 N -3.09 0.64 -4.53 4.97 3.41 -1.26 -3.99 113.62 109.76 2wvx n SER 436 Ca 0.00 -1.36 -0.34 0.00 -0.26 0.00 0.00 58.87 56.91 2wvx n SER 436 Cb 0.29 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.96 4.17 0.00 6.66 2.01 -0.52 -4.60 115.64 121.41 2wvx s THR 437 Ca 0.37 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2wvx s THR 437 Cb 0.18 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2wvx s THR 437 CO 0.30 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2wvx n GLY 438 N 3.63 -0.90 3.09 4.40 0.00 -1.26 -0.36 105.19 113.78 2wvx n GLY 438 Ca -0.17 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 2.07 0.26 1.61 0.52 0.20 -4.78 118.95 118.82 2wvx s ARG 439 Ca 0.00 -2.07 -0.30 0.00 -0.52 0.00 0.00 55.73 52.84 2wvx s ARG 439 Cb 0.00 -3.55 -0.11 0.00 0.52 0.00 0.00 34.95 31.81 2wvx s ARG 439 CO 0.00 -1.08 1.57 -1.17 0.02 0.00 0.00 175.30 174.64 2wvx s LEU 440 N 0.70 4.36 0.00 2.53 2.96 -1.26 -2.08 118.68 125.90 2wvx s LEU 440 Ca 0.11 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.87 2wvx s LEU 440 Cb -0.22 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.85 2wvx s LEU 440 CO -0.04 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.73 2wvx n GLY 441 N 2.51 0.60 0.27 7.98 0.00 -1.26 -4.94 105.19 110.35 2wvx n GLY 441 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 0.11 -0.18 1.61 -0.00 -1.77 -1.12 116.97 115.63 2wvx h TYR 442 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2wvx h TYR 442 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.69 2wvx h TYR 442 CO 0.00 0.09 0.04 0.93 -0.00 0.00 0.00 178.16 179.22 2wvx h GLU 443 N 0.12 0.28 -0.31 0.10 3.07 -1.92 0.41 114.58 116.33 2wvx h GLU 443 Ca 0.03 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 2wvx h GLU 443 Cb 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2wvx h GLU 443 CO -0.00 0.42 0.01 1.88 -1.40 0.00 0.00 179.01 179.91 2wvx h TYR 444 N 0.09 0.59 -0.59 4.33 0.05 -1.77 -2.54 116.97 117.15 2wvx h TYR 444 Ca 0.06 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2wvx h TYR 444 Cb 0.26 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2wvx h TYR 444 CO 0.01 0.67 0.32 -0.92 -1.05 0.00 0.00 178.16 177.18 2wvx h TYR 445 N 0.34 0.81 -0.07 4.88 3.20 -1.03 0.47 116.97 125.58 2wvx h TYR 445 Ca 0.09 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2wvx h TYR 445 Cb 0.43 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2wvx h TYR 445 CO 0.03 0.59 -0.43 -0.91 -1.64 0.00 0.00 178.16 175.81 2wvx h ASN 446 N 0.79 0.16 0.03 -2.11 -0.26 -0.16 -0.82 115.58 113.20 2wvx h ASN 446 Ca 0.21 -0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.73 2wvx h ASN 446 Cb 0.05 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 2wvx h ASN 446 CO -0.03 0.57 -0.79 0.50 -1.06 0.00 0.00 177.43 176.62 2wvx h LYS 447 N 0.12 0.06 0.00 0.81 3.64 -1.16 -3.41 116.57 116.64 2wvx h LYS 447 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wvx h LYS 447 Cb 0.81 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2wvx h LYS 447 CO 0.06 1.05 -1.33 1.28 -2.27 0.00 0.00 179.45 178.23 2wvx n LEU 448 N -4.39 0.57 0.00 5.20 4.77 0.16 -4.97 117.00 118.34 2wvx n LEU 448 Ca -0.22 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wvx n LEU 448 Cb 0.65 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2wvx n LEU 448 CO 0.30 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2wvx n GLY 449 N 1.21 0.61 3.50 -0.72 0.00 -0.32 -5.03 105.19 104.43 2wvx n GLY 449 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 -0.39 -0.21 1.61 1.13 -1.24 -4.76 117.35 111.49 2wvx s TYR 450 Ca 0.00 0.22 -0.19 0.00 -1.41 0.00 0.00 57.07 55.69 2wvx s TYR 450 Cb 0.00 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 2wvx s TYR 450 CO 0.00 -0.65 0.56 0.08 -2.51 0.00 0.00 175.55 173.03 2wvx s VAL 451 N -3.32 5.06 0.85 -3.49 1.01 -1.26 -3.28 120.40 115.98 2wvx s VAL 451 Ca 0.04 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 2wvx s VAL 451 Cb -0.01 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.59 2wvx s VAL 451 CO -0.09 0.13 1.09 -2.84 0.00 0.00 0.00 175.10 173.39 2wvx s PRO 452 N 1.89 1.60 0.19 2.72 0.02 -1.26 -4.49 135.00 135.67 2wvx s PRO 452 Ca 0.25 0.94 0.24 0.00 0.02 0.00 0.00 61.00 62.45 2wvx s PRO 452 Cb -0.16 -1.84 0.25 0.00 0.02 0.00 0.00 34.50 32.78 2wvx s PRO 452 CO 0.10 -2.04 1.28 -0.92 -0.33 0.00 0.00 177.00 175.09 2wvx h TYR 453 N -1.41 0.00 -0.52 6.54 5.03 -0.84 -3.38 116.97 122.40 2wvx h TYR 453 Ca -0.47 0.00 -0.38 0.00 2.58 0.00 0.00 58.73 60.46 2wvx h TYR 453 Cb 1.27 0.00 -0.35 0.00 1.55 0.00 0.00 36.73 39.20 2wvx h TYR 453 CO 0.48 0.00 -0.83 -0.40 -1.32 0.00 0.00 178.16 176.09 2wvx n ASP 454 N -2.43 3.55 -0.90 -2.11 5.75 -1.26 -4.70 116.55 114.44 2wvx n ASP 454 Ca 0.02 -3.38 0.03 0.00 -0.01 0.00 0.00 54.79 51.46 2wvx n ASP 454 Cb 0.49 -0.40 0.16 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.70 1.87 -2.62 2.12 0.24 -1.26 -4.89 118.33 113.10 2wvx n VAL 455 Ca 0.31 -2.97 -0.18 0.00 -2.04 0.00 0.00 64.34 59.46 2wvx n VAL 455 Cb 0.90 -0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.82 -2.59 -3.88 7.34 5.02 -1.26 -4.95 118.16 117.01 2wvx n LYS 456 Ca 0.19 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.92 2wvx n LYS 456 Cb 0.79 -5.45 -0.13 0.00 -0.02 0.00 0.00 35.03 30.22 2wvx n LYS 456 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wvx s ILE 457 N -2.88 2.86 0.89 -0.18 1.01 -1.26 -5.11 121.20 116.53 2wvx s ILE 457 Ca 0.09 -2.40 -0.11 0.00 0.00 0.00 0.00 60.65 58.24 2wvx s ILE 457 Cb -0.04 -3.00 0.13 0.00 0.01 0.00 0.00 42.46 39.55 2wvx s ILE 457 CO 0.11 -0.69 1.10 0.20 0.00 0.00 0.00 174.94 175.66 2wvx s ASN 458 N 1.13 3.41 -1.92 3.58 0.01 -1.26 -3.34 114.94 116.54 2wvx s ASN 458 Ca 0.11 1.76 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 2wvx s ASN 458 Cb -0.21 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2wvx s ASN 458 CO -0.05 -2.72 0.00 -0.62 -1.51 0.00 0.00 177.10 172.20 2wvx n GLU 459 N -3.96 -1.62 -0.19 -0.60 4.71 0.17 -4.88 120.64 114.27 2wvx n GLU 459 Ca 0.08 1.08 -0.01 0.00 -0.01 0.00 0.00 57.16 58.30 2wvx n GLU 459 Cb 0.54 -5.66 0.21 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 0.00 0.85 -0.21 1.62 -1.07 -1.52 -1.36 115.58 113.89 2wvx h ASN 460 Ca -0.47 -0.08 -0.19 0.00 0.07 0.00 0.00 56.30 55.62 2wvx h ASN 460 Cb 1.36 -0.22 0.01 0.00 -2.07 0.00 0.00 38.32 37.40 2wvx h ASN 460 CO 0.60 0.71 -0.62 0.00 0.07 0.00 0.00 177.43 178.19 2wvx h ALA 461 N 1.42 0.36 -0.30 4.14 0.00 -1.12 -1.83 119.26 121.94 2wvx h ALA 461 Ca 0.24 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2wvx h ALA 461 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2wvx h ALA 461 CO -0.03 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.93 2wvx h ALA 462 N 0.60 0.33 -0.65 0.00 0.00 -1.11 -1.49 119.26 116.94 2wvx h ALA 462 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wvx h ALA 462 Cb 1.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2wvx h ALA 462 CO 0.13 -0.33 0.43 0.00 0.00 0.00 0.00 179.25 179.49 2wvx h ARG 463 N 0.20 0.85 -0.21 0.00 3.08 -1.21 -1.56 114.38 115.54 2wvx h ARG 463 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wvx h ARG 463 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2wvx h ARG 463 CO -0.16 0.56 0.13 1.15 -1.07 0.00 0.00 179.97 180.59 2wvx h THR 464 N 0.88 1.06 -0.30 2.04 2.02 -0.99 0.16 112.91 117.78 2wvx h THR 464 Ca 0.24 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2wvx h THR 464 Cb -0.10 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2wvx h THR 464 CO -0.05 0.06 0.09 -0.07 0.37 0.00 0.00 175.52 175.92 2wvx h LEU 465 N 0.27 0.44 -0.46 2.58 3.38 -1.07 -1.50 115.31 118.96 2wvx h LEU 465 Ca 0.08 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2wvx h LEU 465 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wvx h LEU 465 CO -0.02 0.54 -0.19 -0.33 0.09 0.00 0.00 178.44 178.52 2wvx h GLU 466 N 0.33 0.94 -0.94 1.13 5.08 -1.16 -2.61 114.58 117.36 2wvx h GLU 466 Ca 0.10 -0.40 0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2wvx h GLU 466 Cb 0.25 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2wvx h GLU 466 CO -0.00 1.06 0.60 1.88 -1.00 0.00 0.00 179.01 181.55 2wvx h TYR 467 N 0.79 1.01 -0.55 4.33 0.05 -0.50 0.14 116.97 122.25 2wvx h TYR 467 Ca 0.11 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.82 2wvx h TYR 467 Cb 0.77 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2wvx h TYR 467 CO 0.05 0.43 -0.04 0.00 -1.05 0.00 0.00 178.16 177.55 2wvx h ALA 468 N 1.55 0.88 -0.32 3.88 0.00 -0.95 0.15 119.26 124.47 2wvx h ALA 468 Ca 0.45 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wvx h ALA 468 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wvx h ALA 468 CO -0.22 0.65 0.02 -0.92 0.00 0.00 0.00 179.25 178.79 2wvx h TYR 469 N 0.89 0.59 -0.85 0.00 3.20 -0.97 -0.63 116.97 119.19 2wvx h TYR 469 Ca 0.15 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2wvx h TYR 469 Cb 0.58 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 2wvx h TYR 469 CO 0.04 0.65 0.56 -0.44 -1.64 0.00 0.00 178.16 177.33 2wvx h ASP 470 N 0.35 0.93 -0.35 -2.11 3.32 -0.43 -0.40 116.42 117.74 2wvx h ASP 470 Ca 0.09 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 2wvx h ASP 470 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2wvx h ASP 470 CO 0.01 0.65 -0.24 0.44 -1.72 0.00 0.00 179.24 178.38 2wvx h ASP 471 N 1.09 0.87 -0.82 6.45 3.32 -0.49 -1.42 116.42 125.42 2wvx h ASP 471 Ca 0.33 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 57.08 2wvx h ASP 471 Cb -0.03 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 2wvx h ASP 471 CO -0.09 1.08 0.54 -0.25 -1.72 0.00 0.00 179.24 178.80 2wvx h TRP 472 N 0.73 0.98 -0.58 4.55 7.01 0.13 0.14 115.95 128.91 2wvx h TRP 472 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2wvx h TRP 472 Cb 0.79 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 2wvx h TRP 472 CO 0.04 0.57 0.26 0.00 -2.79 0.00 0.00 178.44 176.53 2wvx h ILE 474 N 0.79 1.22 -0.76 0.00 2.04 -0.86 -1.93 117.51 118.02 2wvx h ILE 474 Ca 0.20 -0.73 0.15 0.00 1.00 0.00 0.00 64.86 65.47 2wvx h ILE 474 Cb 0.15 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 2wvx h ILE 474 CO -0.02 0.25 0.29 0.22 0.00 0.00 0.00 178.15 178.90 2wvx h TYR 475 N 0.46 0.50 -0.62 1.37 5.03 -0.39 0.25 116.97 123.57 2wvx h TYR 475 Ca 0.12 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 2wvx h TYR 475 Cb 0.28 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 2wvx h TYR 475 CO 0.01 0.05 0.39 0.00 -1.32 0.00 0.00 178.16 177.29 2wvx h ARG 476 N 0.43 0.84 -0.23 1.82 2.47 -0.39 -1.20 114.38 118.12 2wvx h ARG 476 Ca 0.42 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.93 2wvx h ARG 476 Cb 0.65 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2wvx h ARG 476 CO -0.41 0.59 -0.39 1.25 0.56 0.00 0.00 179.97 181.56 2wvx h LEU 477 N 0.84 0.74 -0.86 3.04 5.85 -0.75 -1.18 115.31 122.99 2wvx h LEU 477 Ca 0.22 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.44 2wvx h LEU 477 Cb -0.05 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2wvx h LEU 477 CO -0.04 1.13 0.56 0.00 -0.34 0.00 0.00 178.44 179.74 2wvx h ALA 478 N 0.63 1.13 -0.33 1.25 0.00 -0.34 0.31 119.26 121.91 2wvx h ALA 478 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2wvx h ALA 478 Cb 0.99 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2wvx h ALA 478 CO 0.09 0.42 0.02 -0.22 0.00 0.00 0.00 179.25 179.56 2wvx h LYS 479 N 1.10 0.57 -0.87 0.00 3.11 -1.16 -1.07 116.57 118.24 2wvx h LYS 479 Ca 0.34 -0.17 0.03 0.00 -2.81 0.00 0.00 60.65 58.03 2wvx h LYS 479 Cb -0.03 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.09 2wvx h LYS 479 CO -0.10 0.68 0.57 1.49 -2.81 0.00 0.00 179.45 179.28 2wvx h GLU 480 N 0.38 1.08 -0.03 1.90 4.57 -0.44 -2.15 114.58 119.89 2wvx h GLU 480 Ca 0.09 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2wvx h GLU 480 Cb 0.42 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2wvx h GLU 480 CO 0.01 0.72 0.00 1.28 -1.18 0.00 0.00 179.01 179.84 2wvx n LEU 481 N -4.52 0.72 -3.77 1.64 4.32 0.10 -4.93 117.00 110.56 2wvx n LEU 481 Ca 0.11 -0.26 -0.23 0.00 -0.02 0.00 0.00 56.01 55.61 2wvx n LEU 481 Cb 0.07 -0.01 0.02 0.00 -1.62 0.00 0.00 43.42 41.88 2wvx n LEU 481 CO 0.34 0.13 -0.08 0.29 -1.22 0.00 0.00 177.39 176.86 2wvx n LYS 482 N -0.40 -4.68 -1.04 3.23 4.01 -0.69 -4.99 118.16 113.60 2wvx n LYS 482 Ca 0.20 0.58 -0.28 0.00 -0.51 0.00 0.00 58.31 58.29 2wvx n LYS 482 Cb 0.21 -5.10 0.19 0.00 -0.51 0.00 0.00 35.03 29.83 2wvx n LYS 482 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wvx s ARG 483 N -6.16 0.08 0.36 1.97 1.81 -0.49 -4.96 118.95 111.55 2wvx s ARG 483 Ca 0.08 0.56 -0.26 0.00 -1.72 0.00 0.00 55.73 54.39 2wvx s ARG 483 Cb -0.04 -1.69 -0.12 0.00 -0.45 0.00 0.00 34.95 32.64 2wvx s ARG 483 CO 0.83 -2.98 1.02 -2.30 -0.68 0.00 0.00 175.30 171.19 2wvx n PRO 484 N -4.36 1.41 -0.32 3.54 -0.02 -1.26 -4.78 135.00 129.21 2wvx n PRO 484 Ca 0.05 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2wvx n PRO 484 Cb 0.57 -1.97 0.32 0.00 -0.02 0.00 0.00 33.50 32.40 2wvx n PRO 484 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wvx h LYS 485 N 1.80 0.55 -0.76 -0.52 3.64 -1.99 -1.21 116.57 118.07 2wvx h LYS 485 Ca -0.42 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2wvx h LYS 485 Cb 1.34 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 2wvx h LYS 485 CO 0.59 0.36 0.50 -0.22 -2.27 0.00 0.00 179.45 178.41 2wvx h LYS 486 N 0.56 0.97 -0.13 1.90 3.11 -1.99 0.16 116.57 121.16 2wvx h LYS 486 Ca 0.57 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.33 2wvx h LYS 486 Cb 1.02 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2wvx h LYS 486 CO -0.46 0.64 -0.02 1.49 -2.81 0.00 0.00 179.45 178.29 2wvx h GLU 487 N 1.00 0.24 -0.53 1.90 4.81 -1.59 -1.56 114.58 118.85 2wvx h GLU 487 Ca 0.29 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2wvx h GLU 487 Cb -0.07 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2wvx h GLU 487 CO -0.08 0.52 0.29 0.82 -0.73 0.00 0.00 179.01 179.83 2wvx h ILE 488 N -0.06 0.99 -0.71 2.32 2.04 -1.21 -2.15 117.51 118.73 2wvx h ILE 488 Ca 0.03 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2wvx h ILE 488 Cb 0.43 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2wvx h ILE 488 CO 0.01 0.10 0.34 0.28 0.00 0.00 0.00 178.15 178.88 2wvx h SER 489 N 0.56 0.92 -0.34 1.72 0.02 -0.87 -0.94 113.55 114.61 2wvx h SER 489 Ca 0.23 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2wvx h SER 489 Cb 0.10 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2wvx h SER 489 CO -0.14 0.78 0.21 0.25 -1.14 0.00 0.00 176.83 176.79 2wvx h LEU 490 N 1.01 0.41 -0.55 5.07 5.85 -0.64 -1.60 115.31 124.85 2wvx h LEU 490 Ca 0.25 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 2wvx h LEU 490 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2wvx h LEU 490 CO -0.03 0.33 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.44 2wvx h PHE 491 N 0.45 0.19 -1.00 1.25 0.04 -1.23 -1.63 116.94 115.00 2wvx h PHE 491 Ca 0.12 -0.08 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2wvx h PHE 491 Cb -0.00 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.04 2wvx h PHE 491 CO -0.04 0.79 0.64 0.00 -0.60 0.00 0.00 178.31 179.10 2wvx h ALA 492 N 1.19 1.44 -0.09 2.45 0.00 -0.97 -0.35 119.26 122.93 2wvx h ALA 492 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wvx h ALA 492 Cb 1.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wvx h ALA 492 CO 0.10 0.35 -0.13 -0.22 0.00 0.00 0.00 179.25 179.34 2wvx h LYS 493 N 1.09 0.25 -0.14 0.00 3.11 -0.99 -3.14 116.57 116.75 2wvx h LYS 493 Ca 0.46 -0.15 -0.04 0.00 -2.81 0.00 0.00 60.65 58.11 2wvx h LYS 493 Cb 0.31 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2wvx h LYS 493 CO -0.21 0.72 -0.09 0.00 -2.81 0.00 0.00 179.45 177.05 2wvx h ARG 494 N -0.20 0.21 -1.99 1.90 3.08 -1.11 -3.31 114.38 112.95 2wvx h ARG 494 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wvx h ARG 494 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2wvx h ARG 494 CO 0.03 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 2wvx n ALA 495 N -2.50 1.15 0.00 0.04 0.00 -0.16 -4.58 120.51 114.46 2wvx n ALA 495 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wvx n ALA 495 Cb 0.23 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.72 0.00 0.28 0.00 3.02 -1.25 -4.71 115.26 114.33 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 0.89 0.00 -0.61 0.00 0.00 39.78 40.06 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 0.00 3.10 -0.00 -1.85 -1.44 116.97 116.78 2wvx h TYR 498 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 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 0.00 0.87 -0.00 0.00 0.00 178.16 179.03 2wvx h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.93 -2.88 116.57 113.42 2wvx h LYS 499 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wvx h LYS 499 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wvx h LYS 499 CO -0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2wvx n ASN 500 N -3.07 0.74 -0.48 0.86 3.02 -0.54 -2.74 115.26 113.05 2wvx n ASN 500 Ca 0.00 0.64 0.04 0.00 -0.03 0.00 0.00 54.58 55.23 2wvx n ASN 500 Cb 0.28 -0.81 0.11 0.00 -0.61 0.00 0.00 39.78 38.75 2wvx n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wvx n LEU 501 N -2.27 2.60 -4.64 3.41 4.77 -1.09 -4.96 117.00 114.82 2wvx n LEU 501 Ca 0.03 -1.88 -0.42 0.00 -0.03 0.00 0.00 56.01 53.72 2wvx n LEU 501 Cb 0.30 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2wvx n LEU 501 CO 0.24 0.64 0.63 0.12 -1.33 0.00 0.00 177.39 177.68 2wvx s PHE 502 N -0.97 3.31 -0.49 -1.77 5.36 -1.11 -0.79 117.98 121.52 2wvx s PHE 502 Ca 0.17 1.11 -0.17 0.00 -0.96 0.00 0.00 56.93 57.07 2wvx s PHE 502 Cb 0.09 -3.03 0.07 0.00 -0.34 0.00 0.00 43.02 39.81 2wvx s PHE 502 CO 0.12 -0.39 0.53 0.34 -1.46 0.00 0.00 175.22 174.36 2wvx s ASP 503 N 1.35 6.19 0.35 6.13 2.15 -0.28 -4.96 116.67 127.61 2wvx s ASP 503 Ca 0.34 -1.12 0.09 0.00 0.43 0.00 0.00 52.55 52.29 2wvx s ASP 503 Cb -0.15 -2.24 0.81 0.00 -0.30 0.00 0.00 42.92 41.03 2wvx s ASP 503 CO 0.07 -0.79 1.85 0.07 -0.17 0.00 0.00 175.17 176.20 2wvx h LYS 504 N 8.90 0.68 0.37 4.34 2.10 -1.94 0.23 116.57 131.24 2wvx h LYS 504 Ca -0.28 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2wvx h LYS 504 Cb 1.10 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 2wvx h LYS 504 CO 0.93 0.45 -0.33 0.93 -2.00 0.00 0.00 179.45 179.43 2wvx h GLU 505 N 0.70 -0.69 0.00 0.07 5.08 -1.96 -3.15 114.58 114.63 2wvx h GLU 505 Ca 0.47 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2wvx h GLU 505 Cb 0.78 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2wvx h GLU 505 CO -0.23 -0.46 -0.52 0.66 -1.00 0.00 0.00 179.01 177.46 2wvx h SER 506 N -0.72 0.00 -1.24 1.42 4.64 -1.91 -3.47 113.55 112.28 2wvx h SER 506 Ca -0.03 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.01 2wvx h SER 506 Cb 0.64 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 2wvx h SER 506 CO -0.04 0.01 -0.29 0.29 -0.87 0.00 0.00 176.83 175.93 2wvx n LYS 507 N -2.80 -0.99 0.00 4.77 5.02 0.77 -5.07 118.16 119.86 2wvx n LYS 507 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2wvx n LYS 507 Cb 0.53 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 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 -1.70 0.00 0.00 -0.35 4.77 -1.21 -4.92 117.00 113.59 2wvx n LEU 508 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2wvx n LEU 508 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2wvx n LEU 508 CO 0.19 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.11 2wvx n ARG 510 N 0.00 0.00 -1.71 3.23 0.63 0.03 -1.12 116.66 117.72 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 0.01 0.00 0.45 0.00 0.00 32.46 32.92 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 -0.70 0.58 3.16 5.14 0.00 -1.26 -4.76 105.19 107.34 2wvx n GLY 511 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.26 2.00 0.71 1.61 3.52 -1.26 -1.22 118.95 122.05 2wvx s ARG 512 Ca 0.61 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 55.44 2wvx s ARG 512 Cb -0.50 -1.70 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2wvx s ARG 512 CO 0.58 0.25 1.06 -0.80 -0.81 0.00 0.00 175.30 175.57 2wvx s ASN 513 N 0.08 5.28 0.37 -2.12 0.01 0.13 -0.14 114.94 118.55 2wvx s ASN 513 Ca -0.06 1.59 0.09 0.00 -0.71 0.00 0.00 52.86 53.78 2wvx s ASN 513 Cb -0.13 -2.45 0.84 0.00 0.41 0.00 0.00 41.25 39.92 2wvx s ASN 513 CO 0.03 -1.50 1.90 -0.08 -1.51 0.00 0.00 177.10 175.93 2wvx h GLU 514 N -0.76 0.64 0.00 -0.60 4.81 -1.90 0.76 114.58 117.53 2wvx h GLU 514 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2wvx h GLU 514 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2wvx h GLU 514 CO 0.57 0.42 0.00 -0.40 -0.73 0.00 0.00 179.01 178.87 2wvx n ASP 515 N -4.53 0.00 0.00 1.04 5.68 -1.26 -4.88 116.55 112.60 2wvx n ASP 515 Ca 0.15 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 2wvx n ASP 515 Cb 0.43 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 0.80 0.49 3.78 6.12 0.00 0.26 -5.07 105.19 111.57 2wvx n GLY 516 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.08 3.77 0.46 2.61 -4.23 -1.26 -4.74 115.64 110.17 2wvx s THR 517 Ca 0.00 1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 61.70 2wvx s THR 517 Cb 0.00 -3.77 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 2wvx s THR 517 CO 0.00 0.08 1.22 -0.36 -0.54 0.00 0.00 174.62 175.02 2wvx s PHE 518 N -1.58 2.80 0.36 3.99 0.08 -1.26 0.20 117.98 122.56 2wvx s PHE 518 Ca 0.55 1.49 -0.27 0.00 0.12 0.00 0.00 56.93 58.82 2wvx s PHE 518 Cb -0.23 -3.50 -0.09 0.00 -0.57 0.00 0.00 43.02 38.63 2wvx s PHE 518 CO 0.29 -1.80 1.22 1.14 -0.10 0.00 0.00 175.22 175.96 2wvx s GLN 519 N -2.60 4.24 0.07 0.44 1.03 -0.36 -4.77 119.66 117.71 2wvx s GLN 519 Ca 0.63 1.99 0.05 0.00 0.04 0.00 0.00 55.36 58.07 2wvx s GLN 519 Cb -0.32 -2.90 -0.03 0.00 0.03 0.00 0.00 33.01 29.78 2wvx s GLN 519 CO 0.40 -0.20 -0.13 -1.12 -2.54 0.00 0.00 175.29 171.70 2wvx s SER 520 N -0.83 1.54 0.40 12.60 0.01 -1.26 -3.91 113.70 122.25 2wvx s SER 520 Ca 0.52 -0.65 -0.23 0.00 1.31 0.00 0.00 55.95 56.91 2wvx s SER 520 Cb -0.35 -0.03 -0.11 0.00 0.21 0.00 0.00 66.02 65.75 2wvx s SER 520 CO 0.45 -0.13 0.95 -2.16 0.41 0.00 0.00 173.24 172.76 2wvx s PRO 521 N -1.94 4.34 -0.21 12.44 0.04 -1.26 -5.13 135.00 143.28 2wvx s PRO 521 Ca -0.01 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 2wvx s PRO 521 Cb -0.09 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 2wvx s PRO 521 CO 0.02 0.06 0.47 0.12 0.04 0.00 0.00 177.00 177.71 2wvx s PHE 522 N -2.01 3.35 -0.38 0.56 5.36 -1.25 -5.04 117.98 118.57 2wvx s PHE 522 Ca 0.58 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.27 2wvx s PHE 522 Cb -0.12 -2.63 0.11 0.00 -0.34 0.00 0.00 43.02 40.04 2wvx s PHE 522 CO 0.16 -0.11 0.11 0.45 -1.46 0.00 0.00 175.22 174.38 2wvx s SER 523 N 1.21 4.82 0.58 6.13 0.15 -1.26 -4.98 113.70 120.35 2wvx s SER 523 Ca 0.22 -2.25 0.28 0.00 0.70 0.00 0.00 55.95 54.90 2wvx s SER 523 Cb -0.15 -1.67 1.53 0.00 -1.71 0.00 0.00 66.02 64.01 2wvx s SER 523 CO 0.09 -0.39 1.97 -0.65 1.20 0.00 0.00 173.24 175.46 2wvx h PRO 524 N 7.55 0.00 -0.03 5.44 0.11 -2.01 -1.87 132.00 141.19 2wvx h PRO 524 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wvx h PRO 524 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wvx h PRO 524 CO 0.58 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.65 2wvx n LEU 525 N -3.80 2.32 -4.66 2.35 4.77 -1.26 -2.59 117.00 114.13 2wvx n LEU 525 Ca 0.06 -0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 2wvx n LEU 525 Cb 0.55 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2wvx n LEU 525 CO 0.28 0.39 1.02 -0.75 -1.33 0.00 0.00 177.39 177.01 2wvx s LYS 526 N -1.99 4.25 0.45 3.23 2.20 -0.70 -1.99 119.74 125.20 2wvx s LYS 526 Ca 0.33 1.57 -0.21 0.00 -0.36 0.00 0.00 55.97 57.30 2wvx s LYS 526 Cb 0.20 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.71 2wvx s LYS 526 CO 0.32 -0.66 0.99 -1.58 -0.36 0.00 0.00 175.35 174.05 2wvx s TRP 527 N 3.29 3.19 0.00 4.03 0.52 -0.89 -4.32 118.94 124.75 2wvx s TRP 527 Ca 0.52 1.60 0.00 0.00 0.02 0.00 0.00 56.10 58.23 2wvx s TRP 527 Cb -0.20 -2.94 0.00 0.00 -1.15 0.00 0.00 33.47 29.18 2wvx s TRP 527 CO 0.13 -0.40 0.00 0.41 0.02 0.00 0.00 176.95 177.11 2wvx n GLY 528 N -0.50 -0.02 7.00 0.98 0.00 -0.59 -4.57 105.19 107.49 2wvx n GLY 528 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.10 0.00 0.22 1.61 2.03 -1.26 -1.50 116.55 116.56 2wvx n ASP 529 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2wvx n ASP 529 Cb 0.00 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.64 1.27 -0.63 -1.67 0.00 -1.92 0.49 119.26 116.17 2wvx h ALA 530 Ca 0.00 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 54.05 2wvx h ALA 530 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 2wvx h ALA 530 CO 0.00 0.31 -0.45 -0.06 0.00 0.00 0.00 179.25 179.05 2wvx s PHE 531 N -4.09 1.90 0.02 0.00 0.08 -0.56 -0.67 117.98 114.67 2wvx s PHE 531 Ca -0.02 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.17 2wvx s PHE 531 Cb 0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 2wvx s PHE 531 CO 0.65 0.01 -0.04 -0.08 -0.10 0.00 0.00 175.22 175.66 2wvx s THR 532 N -2.80 0.26 -1.12 0.64 -1.32 -1.26 -4.04 115.64 105.99 2wvx s THR 532 Ca 0.20 -0.73 -0.26 0.00 -1.21 0.00 0.00 61.69 59.69 2wvx s THR 532 Cb 0.01 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.69 2wvx s THR 532 CO 0.12 -0.31 0.69 1.21 -2.21 0.00 0.00 174.62 174.12 2wvx n GLU 533 N 1.96 -0.64 0.00 7.08 2.13 -1.26 -4.79 120.64 125.12 2wvx n GLU 533 Ca -0.20 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2wvx n GLU 533 Cb 0.56 -2.79 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 -1.95 1.01 0.83 8.31 0.00 -1.26 -4.79 105.19 107.34 2wvx n GLY 534 Ca -0.14 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 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 2.85 1.88 -0.10 1.61 0.23 -1.26 -1.54 115.26 118.92 2wvx n ASN 535 Ca 0.00 -1.52 0.01 0.00 -0.53 0.00 0.00 54.58 52.54 2wvx n ASN 535 Cb 0.00 0.14 0.31 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.32 0.67 0.18 0.53 0.87 -1.69 -1.18 113.55 113.24 2wvx h SER 536 Ca -0.09 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2wvx h SER 536 Cb 0.29 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2wvx h SER 536 CO 0.15 0.53 -0.07 -0.50 -0.53 0.00 0.00 176.83 176.41 2wvx h TRP 537 N 0.77 0.00 0.15 2.24 4.06 -1.96 0.18 115.95 121.39 2wvx h TRP 537 Ca 0.20 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.85 2wvx h TRP 537 Cb 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.17 2wvx h TRP 537 CO 0.00 0.07 -1.49 0.45 -3.56 0.00 0.00 178.44 173.92 2wvx h HIS 538 N 0.00 0.60 0.00 0.49 3.86 -1.59 -3.41 115.15 115.10 2wvx h HIS 538 Ca -0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2wvx h HIS 538 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2wvx h HIS 538 CO 0.00 1.58 -0.55 1.88 0.86 0.00 0.00 177.93 181.70 2wvx h TYR 539 N -0.13 0.00 -0.25 2.45 -1.99 -1.00 -3.36 116.97 112.70 2wvx h TYR 539 Ca -0.30 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.46 2wvx h TYR 539 Cb 1.90 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.62 2wvx h TYR 539 CO 0.12 0.00 0.17 1.15 -0.00 0.00 0.00 178.16 179.61 2wvx h THR 540 N 0.00 0.98 0.00 -2.88 2.02 -1.19 -0.95 112.91 110.88 2wvx h THR 540 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2wvx h THR 540 Cb 0.90 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2wvx h THR 540 CO 0.00 0.03 0.00 0.79 0.37 0.00 0.00 175.52 176.71 2wvx n TRP 541 N -4.49 0.00 -1.75 3.16 7.02 -1.26 -4.58 117.44 115.54 2wvx n TRP 541 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.09 2wvx n TRP 541 Cb 0.19 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.95 5.14 -3.16 -0.99 7.64 -0.36 -4.47 113.62 116.46 2wvx n SER 542 Ca 0.18 -2.84 -0.22 0.00 1.01 0.00 0.00 58.87 57.00 2wvx n SER 542 Cb 0.08 -1.60 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 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 4.42 0.56 -0.25 0.44 0.31 -1.26 -4.74 118.33 117.82 2wvx n VAL 543 Ca 0.56 -4.71 0.05 0.00 -0.01 0.00 0.00 64.34 60.23 2wvx n VAL 543 Cb 0.35 -1.01 0.29 0.00 -0.91 0.00 0.00 33.84 32.56 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 3.32 0.92 -0.00 3.52 -1.00 -1.89 -1.80 116.94 120.01 2wvx h PHE 544 Ca 0.11 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2wvx h PHE 544 Cb 0.83 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2wvx h PHE 544 CO 0.54 0.48 -0.22 -2.39 -1.61 0.00 0.00 178.31 175.11 2wvx n HIS 545 N -4.48 0.00 -2.88 -0.55 1.44 -1.26 -4.48 115.22 103.00 2wvx n HIS 545 Ca 0.12 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.71 2wvx n HIS 545 Cb 0.21 -0.38 0.04 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.48 -0.41 -0.10 4.39 2.03 -0.69 -0.49 116.55 119.81 2wvx n ASP 546 Ca 0.07 -3.08 0.03 0.00 0.52 0.00 0.00 54.79 52.32 2wvx n ASP 546 Cb 0.34 0.40 0.35 0.00 -0.72 0.00 0.00 41.12 41.48 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 2.85 0.73 -0.75 -0.67 0.11 -1.75 -0.55 132.00 131.96 2wvx h PRO 547 Ca -0.05 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.03 2wvx h PRO 547 Cb 1.10 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 2wvx h PRO 547 CO 0.31 0.48 0.50 0.37 -0.21 0.00 0.00 178.00 179.45 2wvx h GLN 548 N 0.75 0.98 -0.74 1.05 5.75 -1.91 0.42 115.11 121.42 2wvx h GLN 548 Ca 0.21 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2wvx h GLN 548 Cb -0.07 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 2wvx h GLN 548 CO -0.05 0.65 0.41 0.78 -2.65 0.00 0.00 178.83 177.97 2wvx h GLY 549 N 1.01 1.10 0.93 2.39 0.00 -1.51 -0.44 103.07 106.55 2wvx h GLY 549 Ca 0.28 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2wvx h GLY 549 CO -0.06 0.48 -0.02 -2.00 0.00 0.00 0.00 176.54 174.94 2wvx h LEU 550 N 1.02 0.64 -0.30 3.11 5.85 -0.83 -1.89 115.31 122.91 2wvx h LEU 550 Ca 0.26 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2wvx h LEU 550 Cb 0.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2wvx h LEU 550 CO -0.04 0.81 0.08 0.40 -0.34 0.00 0.00 178.44 179.34 2wvx h ILE 551 N 0.46 0.89 -0.63 4.05 2.04 -0.73 -2.03 117.51 121.56 2wvx h ILE 551 Ca 0.10 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2wvx h ILE 551 Cb 0.49 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2wvx h ILE 551 CO 0.02 0.04 0.35 0.44 0.00 0.00 0.00 178.15 179.00 2wvx h ASP 552 N 0.20 0.52 0.00 1.72 3.32 -0.94 0.31 116.42 121.55 2wvx h ASP 552 Ca 0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2wvx h ASP 552 Cb 0.13 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2wvx h ASP 552 CO -0.16 0.35 0.00 0.18 -1.72 0.00 0.00 179.24 177.89 2wvx n LEU 553 N -4.80 0.00 -0.66 1.55 4.77 -0.72 -4.16 117.00 112.98 2wvx n LEU 553 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 2wvx n LEU 553 Cb 0.15 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2wvx n LEU 553 CO 0.30 0.00 0.24 0.61 -1.33 0.00 0.00 177.39 177.20 2wvx n GLY 555 N 0.88 0.92 0.00 -0.72 0.00 -0.95 -4.99 105.19 100.34 2wvx n GLY 555 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 2.43 0.31 -0.02 0.00 0.06 -4.81 105.19 103.15 2wvx n GLY 556 Ca 0.02 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.09 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 0.38 -0.01 1.61 5.09 -1.93 -1.54 116.57 120.17 2wvx h LYS 557 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2wvx h LYS 557 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.24 2wvx h LYS 557 CO 0.00 0.25 0.00 0.39 -2.09 0.00 0.00 179.45 178.00 2wvx n GLU 558 N -4.48 0.01 0.00 0.07 4.71 -1.26 -0.39 120.64 119.30 2wvx n GLU 558 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 2wvx n GLU 558 Cb 0.15 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 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 0.12 0.00 -0.30 -0.32 -0.00 -0.58 -0.85 117.46 115.53 2wvx n PHE 560 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 2wvx n PHE 560 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.57 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 1.18 0.00 -2.13 2.07 -0.98 -3.42 116.25 112.97 2wvx h VAL 561 Ca 0.00 -0.37 -0.42 0.00 0.82 0.00 0.00 66.70 66.74 2wvx h VAL 561 Cb 0.00 0.02 0.11 0.00 -1.52 0.00 0.00 31.29 29.89 2wvx h VAL 561 CO 0.00 0.19 1.17 0.41 0.02 0.00 0.00 177.57 179.37 2wvx n THR 562 N -4.54 0.00 0.00 2.57 -1.04 -0.03 -4.56 114.28 106.67 2wvx n THR 562 Ca 0.09 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2wvx n THR 562 Cb 0.04 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 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 7.58 0.00 0.26 8.00 8.00 -1.26 -4.75 116.55 134.37 2wvx n ASP 565 Ca 0.33 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.98 2wvx n ASP 565 Cb 0.33 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 42.02 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 -0.72 -2.24 4.64 -1.95 -2.26 113.55 111.02 2wvx h SER 566 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2wvx h SER 566 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2wvx h SER 566 CO 0.00 0.07 0.42 0.58 -0.87 0.00 0.00 176.83 177.03 2wvx h VAL 567 N 0.00 1.01 0.02 0.95 2.07 -1.94 -2.36 116.25 116.00 2wvx h VAL 567 Ca -0.00 -0.27 -0.21 0.00 0.82 0.00 0.00 66.70 67.04 2wvx h VAL 567 Cb 0.61 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2wvx h VAL 567 CO 0.01 0.14 -0.95 -0.26 0.02 0.00 0.00 177.57 176.53 2wvx h PHE 568 N 0.78 0.17 0.03 1.57 0.04 -1.87 0.24 116.94 117.90 2wvx h PHE 568 Ca 0.31 -0.11 -0.21 0.00 2.80 0.00 0.00 57.97 60.76 2wvx h PHE 568 Cb 0.15 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2wvx h PHE 568 CO -0.06 0.99 -0.98 0.00 -0.60 0.00 0.00 178.31 177.66 2wvx h ALA 569 N 0.97 0.40 -2.38 2.45 0.00 -0.95 -3.28 119.26 116.49 2wvx h ALA 569 Ca -0.04 -0.81 -0.51 0.00 0.00 0.00 0.00 54.91 53.55 2wvx h ALA 569 Cb 1.64 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 19.40 2wvx h ALA 569 CO 0.14 1.04 0.42 0.14 0.00 0.00 0.00 179.25 180.98 2wvx s VAL 570 N -2.95 4.50 0.64 0.00 -7.23 -0.93 -4.95 120.40 109.48 2wvx s VAL 570 Ca -0.02 0.81 -0.13 0.00 -1.81 0.00 0.00 61.98 60.84 2wvx s VAL 570 Cb 0.10 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 2wvx s VAL 570 CO 0.83 -1.06 1.05 -2.16 -0.31 0.00 0.00 175.10 173.45 2wvx s PRO 571 N -5.21 3.21 0.00 4.82 0.05 -1.26 -3.84 135.00 132.77 2wvx s PRO 571 Ca 0.56 1.00 -0.02 0.00 0.05 0.00 0.00 61.00 62.58 2wvx s PRO 571 Cb -0.11 -2.03 -0.09 0.00 0.05 0.00 0.00 34.50 32.33 2wvx s PRO 571 CO 0.54 -0.88 1.73 -2.30 0.05 0.00 0.00 177.00 176.13 2wvx n PRO 572 N -2.65 0.85 -2.28 0.56 -0.02 -1.25 -4.49 135.00 125.72 2wvx n PRO 572 Ca 0.08 -0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 60.89 2wvx n PRO 572 Cb 0.53 -1.56 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.57 3.55 0.18 4.25 -4.36 -1.26 -4.75 121.20 120.39 2wvx s ILE 573 Ca 0.22 0.89 -0.13 0.00 -0.26 0.00 0.00 60.65 61.37 2wvx s ILE 573 Cb 0.10 -3.36 0.01 0.00 1.25 0.00 0.00 42.46 40.47 2wvx s ILE 573 CO 0.00 -0.28 0.41 0.72 0.24 0.00 0.00 174.94 176.03 2wvx s PHE 574 N -2.05 0.14 -0.22 1.37 -0.12 -1.26 -4.99 117.98 110.86 2wvx s PHE 574 Ca 0.68 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 2wvx s PHE 574 Cb -0.19 0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.44 2wvx s PHE 574 CO 0.27 -0.83 -0.07 0.34 -0.05 0.00 0.00 175.22 174.88 2wvx s ASP 575 N -2.92 3.60 0.00 1.98 -1.08 -0.84 -4.98 116.67 112.43 2wvx s ASP 575 Ca 0.13 -1.03 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 2wvx s ASP 575 Cb 0.01 -1.17 0.56 0.00 -1.46 0.00 0.00 42.92 40.86 2wvx s ASP 575 CO -0.01 -0.20 1.47 -0.90 0.52 0.00 0.00 175.17 176.05 2wvx n ASP 576 N 4.70 3.70 0.33 -0.34 5.75 -1.26 -2.10 116.55 127.32 2wvx n ASP 576 Ca -0.13 -2.00 0.17 0.00 -0.01 0.00 0.00 54.79 52.82 2wvx n ASP 576 Cb 0.45 -0.42 0.88 0.00 -1.03 0.00 0.00 41.12 41.00 2wvx n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2wvx h SER 577 N 3.73 0.00 0.99 -1.12 4.64 -1.90 0.15 113.55 120.04 2wvx h SER 577 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2wvx h SER 577 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2wvx h SER 577 CO 0.00 0.00 -0.43 0.22 -0.87 0.00 0.00 176.83 175.75 2wvx h TYR 578 N 0.00 0.00 0.00 4.77 3.20 -1.83 -3.27 116.97 119.84 2wvx h TYR 578 Ca 0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 2wvx h TYR 578 Cb 0.53 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 2wvx h TYR 578 CO 0.00 0.43 -2.11 0.66 -1.64 0.00 0.00 178.16 175.50 2wvx n TYR 579 N -3.46 0.00 -2.34 -3.82 4.01 0.41 -4.99 117.16 106.97 2wvx n TYR 579 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2wvx n TYR 579 Cb 0.57 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 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 1.87 0.05 3.64 2.72 0.00 -0.46 -4.97 105.19 108.04 2wvx n GLY 580 Ca -0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 2wvx n GLY 580 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wvx s GLN 581 N -4.69 0.08 -0.92 1.61 2.00 -1.25 -5.06 119.66 111.43 2wvx s GLN 581 Ca 0.05 0.02 -0.18 0.00 -2.00 0.00 0.00 55.36 53.25 2wvx s GLN 581 Cb -0.02 0.04 0.14 0.00 0.80 0.00 0.00 33.01 33.97 2wvx s GLN 581 CO 0.06 -0.03 1.09 0.08 -0.50 0.00 0.00 175.29 176.00 2wvx s VAL 582 N -1.09 4.83 0.78 1.34 1.01 -1.26 -4.87 120.40 121.14 2wvx s VAL 582 Ca 0.09 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 2wvx s VAL 582 Cb -0.01 -4.74 0.07 0.00 0.00 0.00 0.00 36.38 31.69 2wvx s VAL 582 CO -0.07 -1.45 1.14 0.27 0.00 0.00 0.00 175.10 174.99 2wvx s ILE 583 N 2.38 2.66 0.42 2.22 -4.36 -1.26 -4.71 121.20 118.56 2wvx s ILE 583 Ca 0.31 0.26 0.15 0.00 -0.26 0.00 0.00 60.65 61.12 2wvx s ILE 583 Cb -0.05 -2.65 0.36 0.00 1.25 0.00 0.00 42.46 41.37 2wvx s ILE 583 CO -0.09 -0.24 1.90 1.12 0.24 0.00 0.00 174.94 177.87 2wvx h HIS 584 N -0.89 0.53 -0.93 1.37 2.07 -1.79 -0.97 115.15 114.53 2wvx h HIS 584 Ca -0.45 0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.12 2wvx h HIS 584 Cb 1.26 -0.17 -0.06 0.00 2.57 0.00 0.00 27.41 31.02 2wvx h HIS 584 CO 0.52 0.19 0.60 0.93 -3.07 0.00 0.00 177.93 177.10 2wvx h GLU 585 N 0.44 1.13 -0.22 5.12 3.07 -1.89 0.21 114.58 122.44 2wvx h GLU 585 Ca 0.40 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.13 2wvx h GLU 585 Cb 0.90 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2wvx h GLU 585 CO -0.14 0.75 -0.09 0.82 -1.40 0.00 0.00 179.01 178.95 2wvx h ILE 586 N 1.17 1.30 -0.70 3.13 2.04 -1.54 -3.24 117.51 119.67 2wvx h ILE 586 Ca 0.37 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2wvx h ILE 586 Cb 0.01 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2wvx h ILE 586 CO -0.12 0.35 0.46 -0.09 0.00 0.00 0.00 178.15 178.74 2wvx h ARG 587 N 0.18 0.89 -0.95 2.37 9.65 -0.77 -1.90 114.38 123.85 2wvx h ARG 587 Ca 0.05 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wvx h ARG 587 Cb 0.58 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2wvx h ARG 587 CO 0.03 0.59 0.00 0.39 2.80 0.00 0.00 179.97 183.78 2wvx n GLU 588 N -4.62 0.00 0.00 0.20 1.02 0.68 -2.26 120.64 115.66 2wvx n GLU 588 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2wvx n GLU 588 Cb 0.04 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.63 0.00 -0.78 2.62 -2.24 -0.72 -4.97 114.28 108.83 2wvx n THR 590 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2wvx n THR 590 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 2.44 0.00 2.28 0.24 -0.96 -4.92 118.33 117.41 2wvx n VAL 591 Ca 0.00 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 2wvx n VAL 591 Cb 0.00 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 30.53 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 2.37 0.00 0.00 -1.34 4.05 -1.26 -5.24 115.26 113.84 2wvx n ASN 593 Ca 0.30 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.33 2wvx n ASN 593 Cb 0.73 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.74 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 0.98 0.67 8.20 0.00 -1.24 -5.09 105.19 108.71 2wvx n GLY 595 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 1.96 -4.56 1.61 3.02 0.83 -3.83 115.26 114.29 2wvx n ASN 596 Ca 0.00 -1.89 -0.34 0.00 -0.03 0.00 0.00 54.58 52.32 2wvx n ASN 596 Cb 0.00 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.60 2.17 -0.85 3.10 5.04 -1.25 -4.87 117.35 119.09 2wvx s TYR 597 Ca 0.29 -0.10 -0.18 0.00 -2.44 0.00 0.00 57.07 54.64 2wvx s TYR 597 Cb 0.15 -4.37 0.15 0.00 0.35 0.00 0.00 41.96 38.24 2wvx s TYR 597 CO 0.21 -1.85 0.97 0.00 -1.34 0.00 0.00 175.55 173.55 2wvx s ALA 598 N 7.52 3.55 0.48 3.97 0.00 -1.26 -4.90 121.76 131.11 2wvx s ALA 598 Ca 0.58 -2.80 0.14 0.00 0.00 0.00 0.00 51.96 49.89 2wvx s ALA 598 Cb -0.03 -3.84 1.13 0.00 0.00 0.00 0.00 23.12 20.38 2wvx s ALA 598 CO -0.05 -2.71 2.08 1.25 0.00 0.00 0.00 175.76 176.33 2wvx h HIS 599 N 8.65 0.05 0.00 0.00 2.76 -1.94 0.99 115.15 125.65 2wvx h HIS 599 Ca 0.06 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2wvx h HIS 599 Cb 1.04 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2wvx h HIS 599 CO 1.08 0.10 0.00 0.78 -1.30 0.00 0.00 177.93 178.59 2wvx h GLY 600 N 0.26 0.00 -6.99 5.26 0.00 -1.90 -3.42 103.07 96.27 2wvx h GLY 600 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.79 2wvx h GLY 600 CO 0.01 0.00 1.11 -1.31 0.00 0.00 0.00 176.54 176.35 2wvx s ASN 601 N -4.85 6.14 0.30 0.19 0.02 0.34 -4.88 114.94 112.21 2wvx s ASN 601 Ca 0.03 0.51 0.02 0.00 -1.02 0.00 0.00 52.86 52.40 2wvx s ASN 601 Cb 0.09 -2.54 0.75 0.00 0.02 0.00 0.00 41.25 39.57 2wvx s ASN 601 CO 0.45 -1.65 1.59 1.56 0.02 0.00 0.00 177.10 179.07 2wvx h GLN 602 N 11.22 0.04 0.00 -0.60 7.50 -1.86 -0.70 115.11 130.70 2wvx h GLN 602 Ca -0.27 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 2wvx h GLN 602 Cb 1.10 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.62 2wvx h GLN 602 CO 1.14 0.03 -0.03 -1.35 -1.50 0.00 0.00 178.83 177.12 2wvx h PRO 603 N 0.04 0.00 -0.01 1.46 0.11 -1.90 -2.39 132.00 129.30 2wvx h PRO 603 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 2wvx h PRO 603 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wvx h PRO 603 CO -0.86 0.03 -0.13 1.51 -0.21 0.00 0.00 178.00 178.34 2wvx n ILE 604 N -3.61 0.00 0.26 4.15 3.06 -0.27 -4.54 119.36 118.41 2wvx n ILE 604 Ca -0.03 -0.24 0.14 0.00 -2.50 0.00 0.00 62.75 60.13 2wvx n ILE 604 Cb 0.13 0.64 0.62 0.00 0.54 0.00 0.00 39.64 41.56 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 2.21 0.00 -3.36 9.51 4.20 -1.50 -3.40 115.11 122.78 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 0.58 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.22 2wvx h GLN 605 CO 0.00 0.10 2.16 -2.39 -0.67 0.00 0.00 178.83 178.03 2wvx n HIS 606 N -3.26 2.88 0.00 2.96 1.44 -1.26 -4.85 115.22 113.12 2wvx n HIS 606 Ca 0.00 -2.80 0.00 0.00 -2.01 0.00 0.00 57.72 52.91 2wvx n HIS 606 Cb 0.34 -1.96 0.00 0.00 0.12 0.00 0.00 29.99 28.49 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 3.13 0.00 0.31 0.61 5.41 -1.26 -3.53 119.36 124.03 2wvx n ILE 608 Ca 0.44 0.00 0.20 0.00 1.00 0.00 0.00 62.75 64.40 2wvx n ILE 608 Cb 0.34 0.00 1.04 0.00 -0.71 0.00 0.00 39.64 40.31 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 -1.99 116.97 112.45 2wvx h TYR 609 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 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 -0.08 -0.07 -0.00 0.00 0.00 178.16 178.01 2wvx h LEU 610 N 0.00 0.00 -1.48 3.88 3.38 -2.00 -1.93 115.31 117.17 2wvx h LEU 610 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2wvx h LEU 610 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2wvx h LEU 610 CO 0.00 0.08 0.60 1.88 0.09 0.00 0.00 178.44 181.09 2wvx h TYR 611 N 0.00 0.57 -0.57 1.13 0.05 -1.67 0.67 116.97 117.14 2wvx h TYR 611 Ca -0.00 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.87 2wvx h TYR 611 Cb 0.39 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2wvx h TYR 611 CO 0.00 0.15 0.38 -0.44 -1.05 0.00 0.00 178.16 177.20 2wvx h ASP 612 N 0.43 0.41 1.24 3.88 5.19 -1.56 -1.28 116.42 124.73 2wvx h ASP 612 Ca 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2wvx h ASP 612 Cb 1.16 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2wvx h ASP 612 CO -0.19 0.26 -0.02 -1.22 -3.12 0.00 0.00 179.24 174.95 2wvx n TYR 613 N -4.47 0.50 -0.57 4.55 4.02 0.22 -2.68 117.16 118.73 2wvx n TYR 613 Ca 0.09 0.15 0.08 0.00 -0.01 0.00 0.00 57.90 58.20 2wvx n TYR 613 Cb 0.30 -0.73 0.27 0.00 -0.02 0.00 0.00 39.34 39.16 2wvx n TYR 613 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wvx n ALA 614 N -1.66 2.75 -1.94 -0.72 0.00 -0.88 -4.92 120.51 113.14 2wvx n ALA 614 Ca 0.06 -1.63 -0.12 0.00 0.00 0.00 0.00 53.44 51.75 2wvx n ALA 614 Cb 0.39 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 0.52 0.34 2.57 0.00 0.00 -1.09 -4.93 105.19 102.60 2wvx n GLY 615 Ca 0.20 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.31 2.21 0.30 1.61 6.02 -0.54 -4.61 117.38 120.06 2wvx n GLN 616 Ca -0.14 -4.23 0.17 0.00 -0.01 0.00 0.00 57.00 52.79 2wvx n GLN 616 Cb 0.54 -1.98 0.94 0.00 1.02 0.00 0.00 30.24 30.76 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 3.24 0.00 0.00 -1.09 0.13 -1.83 -1.52 132.00 130.93 2wvx h PRO 617 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2wvx h PRO 617 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2wvx h PRO 617 CO 0.69 0.03 -0.17 0.11 -0.23 0.00 0.00 178.00 178.43 2wvx h TRP 618 N 0.00 0.00 -0.10 1.56 0.09 -1.90 -0.79 115.95 114.82 2wvx h TRP 618 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 58.82 2wvx h TRP 618 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.33 2wvx h TRP 618 CO 0.00 0.17 -0.63 0.87 0.09 0.00 0.00 178.44 178.94 2wvx h LYS 619 N 0.00 0.37 -0.52 0.12 1.57 -1.66 -1.29 116.57 115.15 2wvx h LYS 619 Ca -0.00 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2wvx h LYS 619 Cb 0.31 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2wvx h LYS 619 CO 0.02 0.88 -0.06 0.00 -0.57 0.00 0.00 179.45 179.72 2wvx h ALA 620 N 1.06 0.71 -0.49 3.86 0.00 -1.39 -1.46 119.26 121.56 2wvx h ALA 620 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2wvx h ALA 620 Cb 1.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2wvx h ALA 620 CO 0.11 0.58 0.32 1.96 0.00 0.00 0.00 179.25 182.21 2wvx h GLN 621 N 0.83 0.63 0.50 0.00 4.20 -0.99 0.22 115.11 120.49 2wvx h GLN 621 Ca 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2wvx h GLN 621 Cb 0.61 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2wvx h GLN 621 CO 0.04 0.42 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.42 2wvx h TYR 622 N 0.65 -0.72 -0.16 2.96 3.20 -1.06 -2.63 116.97 119.21 2wvx h TYR 622 Ca 0.18 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.86 2wvx h TYR 622 Cb -0.06 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2wvx h TYR 622 CO -0.05 -0.43 -0.64 -1.49 -1.64 0.00 0.00 178.16 173.90 2wvx h TRP 623 N -0.73 0.78 -0.71 -3.82 4.06 -1.02 -2.44 115.95 112.08 2wvx h TRP 623 Ca -0.06 -0.31 0.01 0.00 2.06 0.00 0.00 58.89 60.59 2wvx h TRP 623 Cb 0.58 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 2wvx h TRP 623 CO -0.07 1.08 0.46 -0.07 -3.56 0.00 0.00 178.44 176.29 2wvx h LEU 624 N 0.44 0.79 -0.93 -4.49 3.38 -0.62 -1.70 115.31 112.18 2wvx h LEU 624 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2wvx h LEU 624 Cb 1.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2wvx h LEU 624 CO 0.12 0.57 0.26 -0.09 0.09 0.00 0.00 178.44 179.39 2wvx h ARG 625 N 0.94 1.04 -0.40 1.13 9.65 -1.31 -2.69 114.38 122.74 2wvx h ARG 625 Ca 0.27 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2wvx h ARG 625 Cb -0.07 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.31 2wvx h ARG 625 CO -0.07 0.86 0.20 1.96 2.80 0.00 0.00 179.97 185.71 2wvx h GLN 626 N 1.01 0.39 -0.58 0.20 1.08 -0.95 -0.18 115.11 116.08 2wvx h GLN 626 Ca 0.23 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2wvx h GLN 626 Cb 0.22 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2wvx h GLN 626 CO -0.02 0.26 0.00 0.28 -0.95 0.00 0.00 178.83 178.40 2wvx n VAL 627 N -4.93 0.02 0.00 -0.54 0.31 -0.69 -1.20 118.33 111.31 2wvx n VAL 627 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2wvx n VAL 627 Cb 0.10 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.60 0.00 -1.12 4.52 8.00 -0.08 -3.98 116.55 124.49 2wvx n ASP 629 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 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 1.92 0.00 -1.24 1.74 -0.34 -4.93 116.66 113.80 2wvx n ARG 630 Ca 0.00 -3.15 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 2wvx n ARG 630 Cb 0.00 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 -1.08 0.00 -4.12 -1.55 4.02 -1.26 -5.04 117.16 108.14 2wvx n TYR 632 Ca 0.32 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.08 2wvx n TYR 632 Cb 1.02 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.23 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 0.68 -1.54 -0.72 -4.23 -0.47 -5.04 115.64 104.32 2wvx s THR 633 Ca 0.00 -1.42 0.27 0.00 -1.18 0.00 0.00 61.69 59.35 2wvx s THR 633 Cb 0.00 -1.06 0.52 0.00 1.34 0.00 0.00 72.50 73.31 2wvx s THR 633 CO 0.00 -0.54 1.92 -0.81 -0.54 0.00 0.00 174.62 174.65 2wvx n PRO 634 N 0.89 0.47 -1.44 3.99 -0.04 -1.26 -4.12 135.00 133.49 2wvx n PRO 634 Ca -0.19 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2wvx n PRO 634 Cb 0.57 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.91 -1.42 0.26 0.55 0.00 -1.26 -4.88 105.19 99.36 2wvx n GLY 635 Ca 0.14 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 -0.95 1.61 0.11 -1.91 -1.70 132.00 129.15 2wvx h PRO 636 Ca -0.33 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.13 2wvx h PRO 636 Cb 0.90 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.70 2wvx h PRO 636 CO 0.23 0.00 0.60 -0.40 -0.21 0.00 0.00 178.00 178.22 2wvx n ASP 637 N -4.49 7.12 -0.19 -2.05 3.85 -1.26 0.05 116.55 119.58 2wvx n ASP 637 Ca -0.03 -3.78 -0.04 0.00 -0.71 0.00 0.00 54.79 50.23 2wvx n ASP 637 Cb 0.09 -0.87 0.14 0.00 -1.35 0.00 0.00 41.12 39.13 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 1.99 1.05 -1.42 6.12 0.00 -1.40 -3.46 103.07 105.95 2wvx h GLY 638 Ca 0.57 -0.60 -0.49 0.00 0.00 0.00 0.00 47.33 46.81 2wvx h GLY 638 CO 1.44 0.56 0.28 -0.19 0.00 0.00 0.00 176.54 178.63 2wvx s TYR 639 N -5.33 3.36 -2.60 5.60 1.51 -0.81 -1.37 117.35 117.71 2wvx s TYR 639 Ca -0.11 0.87 0.23 0.00 -1.01 0.00 0.00 57.07 57.06 2wvx s TYR 639 Cb 0.15 -2.79 0.47 0.00 -0.11 0.00 0.00 41.96 39.68 2wvx s TYR 639 CO 0.82 -0.86 1.42 0.00 -1.11 0.00 0.00 175.55 175.81 2wvx n GLY 641 N 1.37 0.76 3.68 0.00 0.00 -1.17 -4.79 105.19 105.05 2wvx n GLY 641 Ca 0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.10 2.43 0.26 1.61 8.00 -1.26 -2.15 116.55 125.34 2wvx n ASP 642 Ca 0.00 1.15 0.15 0.00 0.71 0.00 0.00 54.79 56.79 2wvx n ASP 642 Cb 0.00 -1.47 0.59 0.00 -0.02 0.00 0.00 41.12 40.22 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 2.21 0.00 -6.16 -1.24 4.22 -1.72 -3.45 114.58 108.43 2wvx h GLU 643 Ca -0.46 0.00 -0.43 0.00 0.08 0.00 0.00 59.36 58.54 2wvx h GLU 643 Cb 1.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.58 2wvx h GLU 643 CO 0.61 0.06 -0.83 -0.25 -2.18 0.00 0.00 179.01 176.42 2wvx n ASP 644 N -3.18 -1.33 -3.93 1.04 8.00 -1.26 -2.28 116.55 113.61 2wvx n ASP 644 Ca 0.01 -0.84 -0.25 0.00 0.71 0.00 0.00 54.79 54.41 2wvx n ASP 644 Cb 0.35 -3.90 -0.02 0.00 -0.02 0.00 0.00 41.12 37.54 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 -3.03 -0.37 0.00 -2.24 4.13 -1.26 -1.87 115.26 110.62 2wvx n ASN 645 Ca -0.27 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 54.99 2wvx n ASN 645 Cb 0.67 -3.12 0.00 0.00 -1.54 0.00 0.00 39.78 35.78 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 -1.96 2.43 0.07 7.41 0.00 -1.22 -4.81 105.19 107.12 2wvx n GLY 646 Ca -0.31 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -0.06 0.00 1.61 5.75 -1.43 0.48 115.11 121.46 2wvx h GLN 647 Ca 0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 2wvx h GLN 647 Cb 0.00 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2wvx h GLN 647 CO 0.00 0.10 -0.45 1.15 -2.65 0.00 0.00 178.83 176.98 2wvx h THR 648 N -0.20 1.21 -0.05 2.39 2.02 -1.67 -1.05 112.91 115.56 2wvx h THR 648 Ca -0.01 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 2wvx h THR 648 Cb 0.18 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2wvx h THR 648 CO 0.01 0.45 -0.28 0.28 0.37 0.00 0.00 175.52 176.34 2wvx h SER 649 N 0.00 0.33 0.27 4.18 0.02 -1.66 -3.21 113.55 113.48 2wvx h SER 649 Ca -0.00 -0.67 -0.05 0.00 -0.84 0.00 0.00 61.79 60.22 2wvx h SER 649 Cb 0.86 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2wvx h SER 649 CO 0.06 0.95 -0.25 0.00 -1.14 0.00 0.00 176.83 176.45 2wvx h ALA 650 N 0.39 1.54 -0.70 3.77 0.00 0.10 -1.73 119.26 122.62 2wvx h ALA 650 Ca -0.02 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2wvx h ALA 650 Cb 0.95 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2wvx h ALA 650 CO 0.06 0.31 0.37 2.35 0.00 0.00 0.00 179.25 182.34 2wvx h TRP 651 N 0.00 0.67 -0.41 0.00 7.01 -1.23 -1.17 115.95 120.82 2wvx h TRP 651 Ca -0.00 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 2wvx h TRP 651 Cb 0.45 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2wvx h TRP 651 CO 0.00 0.28 -0.12 -0.92 -2.79 0.00 0.00 178.44 174.89 2wvx h TYR 652 N 0.66 0.92 0.48 2.65 5.03 -1.33 -0.27 116.97 125.11 2wvx h TYR 652 Ca 0.33 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2wvx h TYR 652 Cb 0.29 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 2wvx h TYR 652 CO -0.09 0.95 -0.39 0.28 -1.32 0.00 0.00 178.16 177.58 2wvx h VAL 653 N 0.64 0.20 -0.02 1.81 2.07 -0.95 0.14 116.25 120.14 2wvx h VAL 653 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2wvx h VAL 653 Cb 0.66 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2wvx h VAL 653 CO 0.05 0.00 -0.23 -0.26 0.02 0.00 0.00 177.57 177.14 2wvx h PHE 654 N -0.86 -0.61 -0.53 1.57 0.04 -1.27 -2.61 116.94 112.67 2wvx h PHE 654 Ca -0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2wvx h PHE 654 Cb 0.74 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 2wvx h PHE 654 CO -0.18 -0.32 0.23 0.77 -0.60 0.00 0.00 178.31 178.22 2wvx h SER 655 N -0.35 0.68 -0.00 2.17 0.02 -0.82 -0.73 113.55 114.51 2wvx h SER 655 Ca 0.07 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2wvx h SER 655 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2wvx h SER 655 CO -0.22 0.60 -0.14 0.00 -1.14 0.00 0.00 176.83 175.92 2wvx h ALA 656 N 1.51 1.42 0.00 3.77 0.00 -0.58 -0.85 119.26 124.52 2wvx h ALA 656 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wvx h ALA 656 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wvx h ALA 656 CO -0.02 0.40 -0.22 -0.07 0.00 0.00 0.00 179.25 179.34 2wvx h LEU 657 N 0.28 0.00 0.00 0.00 3.38 -0.77 -0.17 115.31 118.03 2wvx h LEU 657 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wvx h LEU 657 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wvx h LEU 657 CO 0.03 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.39 2wvx n GLY 658 N 0.37 1.15 3.56 0.83 0.00 -0.33 -4.46 105.19 106.31 2wvx n GLY 658 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.06 -0.19 1.61 -0.12 -1.14 0.49 117.98 116.69 2wvx s PHE 659 Ca 0.00 -0.43 -0.17 0.00 -0.05 0.00 0.00 56.93 56.28 2wvx s PHE 659 Cb 0.00 0.32 0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2wvx s PHE 659 CO 0.00 -0.95 0.50 -0.47 -0.05 0.00 0.00 175.22 174.24 2wvx s TYR 660 N -3.93 -0.55 -1.39 3.49 6.14 -0.57 -3.84 117.35 116.70 2wvx s TYR 660 Ca 0.14 1.33 -0.15 0.00 0.64 0.00 0.00 57.07 59.03 2wvx s TYR 660 Cb -0.01 0.19 0.06 0.00 0.42 0.00 0.00 41.96 42.62 2wvx s TYR 660 CO 0.02 -0.26 2.02 -0.35 0.64 0.00 0.00 175.55 177.62 2wvx n PRO 661 N 2.82 3.03 -0.27 4.97 -0.04 -1.26 0.18 135.00 144.42 2wvx n PRO 661 Ca -0.13 -2.92 0.05 0.00 -0.04 0.00 0.00 63.50 60.46 2wvx n PRO 661 Cb 0.57 -3.33 0.19 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 4.51 0.75 -3.10 0.52 2.07 -1.87 -3.33 116.25 115.81 2wvx h VAL 662 Ca 0.51 -0.20 -0.62 0.00 0.82 0.00 0.00 66.70 67.21 2wvx h VAL 662 Cb 0.72 0.11 -0.41 0.00 -1.52 0.00 0.00 31.29 30.20 2wvx h VAL 662 CO 1.71 0.11 -0.65 0.00 0.02 0.00 0.00 177.57 178.76 2wvx n PRO 664 N 2.65 1.58 0.00 0.00 -0.02 -1.25 -1.60 135.00 136.37 2wvx n PRO 664 Ca 0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2wvx n PRO 664 Cb 0.35 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.85 3.25 3.99 -1.23 0.00 -1.26 -4.85 105.19 105.93 2wvx n GLY 665 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.84 2.41 -0.32 2.61 -4.23 -0.63 -4.91 115.64 107.72 2wvx s THR 666 Ca 0.00 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.96 2wvx s THR 666 Cb 0.00 -2.73 0.74 0.00 1.34 0.00 0.00 72.50 71.84 2wvx s THR 666 CO 0.00 0.00 1.63 -0.90 -0.54 0.00 0.00 174.62 174.81 2wvx n ASP 667 N -2.53 5.23 -4.65 3.99 5.75 -1.26 -4.97 116.55 118.11 2wvx n ASP 667 Ca 0.12 -2.85 -0.34 0.00 -0.01 0.00 0.00 54.79 51.71 2wvx n ASP 667 Cb 0.60 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.59 2.82 -0.15 0.11 2.02 -1.26 -0.09 118.70 119.56 2wvx s GLU 668 Ca 0.49 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.95 2wvx s GLU 668 Cb 0.38 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.93 2wvx s GLU 668 CO 0.14 0.66 -0.17 0.71 0.02 0.00 0.00 175.26 176.62 2wvx s TYR 669 N -0.95 2.74 0.00 1.61 1.51 0.30 -4.54 117.35 118.02 2wvx s TYR 669 Ca 0.16 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.12 2wvx s TYR 669 Cb -0.11 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2wvx s TYR 669 CO 0.05 -0.49 0.00 0.28 -1.11 0.00 0.00 175.55 174.28 2wvx n VAL 670 N 4.00 0.00 0.00 0.71 0.31 0.13 -0.69 118.33 122.79 2wvx n VAL 670 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2wvx n VAL 670 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.57 3.38 2.92 0.00 0.18 -1.51 105.19 115.73 2wvx n GLY 672 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 2.26 -0.06 0.50 2.61 -1.32 -1.24 -4.67 115.64 113.72 2wvx s THR 673 Ca 0.00 0.07 -0.22 0.00 -1.21 0.00 0.00 61.69 60.33 2wvx s THR 673 Cb 0.00 -0.73 -0.06 0.00 -1.51 0.00 0.00 72.50 70.19 2wvx s THR 673 CO 0.00 0.03 1.18 -2.16 -2.21 0.00 0.00 174.62 171.46 2wvx s PRO 674 N 1.55 3.54 -0.08 7.08 0.04 -1.26 -4.26 135.00 141.61 2wvx s PRO 674 Ca -0.09 1.80 0.13 0.00 0.04 0.00 0.00 61.00 62.87 2wvx s PRO 674 Cb -0.08 -2.27 -0.23 0.00 0.04 0.00 0.00 34.50 31.96 2wvx s PRO 674 CO -0.15 -0.74 0.53 -0.11 0.04 0.00 0.00 177.00 176.58 2wvx n LEU 675 N -0.80 0.78 -4.84 -3.56 7.94 -0.08 -4.93 117.00 111.51 2wvx n LEU 675 Ca 0.09 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 55.10 2wvx n LEU 675 Cb 0.48 0.18 -0.04 0.00 0.53 0.00 0.00 43.42 44.58 2wvx n LEU 675 CO 0.47 0.43 -0.14 -0.36 -1.11 0.00 0.00 177.39 176.68 2wvx s PHE 676 N -2.58 3.10 0.15 1.96 0.08 -1.26 -4.90 117.98 114.53 2wvx s PHE 676 Ca -0.06 -0.14 0.18 0.00 0.12 0.00 0.00 56.93 57.03 2wvx s PHE 676 Cb 0.08 -1.49 0.62 0.00 -0.57 0.00 0.00 43.02 41.65 2wvx s PHE 676 CO 0.82 0.45 1.70 0.87 -0.10 0.00 0.00 175.22 178.96 2wvx h LYS 677 N 1.41 0.00 -2.95 0.44 1.57 -1.20 -3.42 116.57 112.43 2wvx h LYS 677 Ca -0.48 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 2wvx h LYS 677 Cb 1.24 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2wvx h LYS 677 CO 0.60 0.40 -0.31 0.21 -0.57 0.00 0.00 179.45 179.78 2wvx s LYS 678 N -3.55 0.46 -0.01 3.15 2.20 -0.94 0.18 119.74 121.23 2wvx s LYS 678 Ca 0.00 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 2wvx s LYS 678 Cb 0.11 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 2wvx s LYS 678 CO 0.69 -0.08 0.02 0.00 -0.36 0.00 0.00 175.35 175.62 2wvx s ALA 679 N -0.19 -0.05 -0.11 3.13 0.00 -0.36 -1.22 121.76 122.95 2wvx s ALA 679 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2wvx s ALA 679 Cb -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2wvx s ALA 679 CO 0.01 -0.02 -0.14 0.99 0.00 0.00 0.00 175.76 176.60 2wvx s THR 680 N -0.05 1.46 -0.17 0.00 2.01 0.03 0.27 115.64 119.19 2wvx s THR 680 Ca -0.01 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2wvx s THR 680 Cb -0.01 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2wvx s THR 680 CO -0.00 0.43 0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 2wvx s LEU 681 N 1.08 3.66 -0.34 4.42 1.43 0.25 -0.89 118.68 128.29 2wvx s LEU 681 Ca -0.05 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2wvx s LEU 681 Cb -0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 2wvx s LEU 681 CO -0.03 0.18 0.08 -1.00 0.23 0.00 0.00 176.35 175.82 2wvx s HIS 682 N 0.29 3.31 0.56 0.29 3.76 0.55 -1.25 115.29 122.80 2wvx s HIS 682 Ca 0.02 -1.77 -0.10 0.00 -0.15 0.00 0.00 55.06 53.05 2wvx s HIS 682 Cb -0.13 -2.37 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 2wvx s HIS 682 CO 0.01 -0.80 0.95 -0.06 -0.85 0.00 0.00 174.74 173.99 2wvx s PHE 683 N 1.30 3.58 0.42 1.40 0.08 -0.50 -4.82 117.98 119.45 2wvx s PHE 683 Ca -0.02 1.19 0.37 0.00 0.12 0.00 0.00 56.93 58.59 2wvx s PHE 683 Cb -0.20 -2.62 1.83 0.00 -0.57 0.00 0.00 43.02 41.47 2wvx s PHE 683 CO 0.00 -0.52 2.17 0.93 -0.10 0.00 0.00 175.22 177.70 2wvx h GLU 684 N 0.04 0.00 0.00 0.44 5.08 -1.86 -1.08 114.58 117.20 2wvx h GLU 684 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.03 0.00 0.27 -1.00 0.00 0.00 179.01 178.93 2wvx n ASN 685 N -3.24 0.00 0.00 1.42 2.04 -1.26 -4.87 115.26 109.35 2wvx n ASN 685 Ca -0.02 -0.82 0.00 0.00 -0.44 0.00 0.00 54.58 53.30 2wvx n ASN 685 Cb 0.19 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 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 0.49 0.89 3.92 4.83 0.00 -0.41 -5.05 105.19 109.86 2wvx n GLY 686 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.00 6.04 0.08 1.61 0.01 -1.26 -4.91 114.94 113.51 2wvx s ASN 687 Ca 0.00 0.69 0.05 0.00 -0.71 0.00 0.00 52.86 52.89 2wvx s ASN 687 Cb 0.00 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2wvx s ASN 687 CO 0.00 -0.67 -0.14 -0.44 -1.51 0.00 0.00 177.10 174.34 2wvx s SER 688 N -4.16 1.74 -0.07 -1.22 0.01 -1.26 -1.41 113.70 107.33 2wvx s SER 688 Ca 0.48 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2wvx s SER 688 Cb -0.10 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.10 2wvx s SER 688 CO 0.42 -0.10 -0.09 -0.22 0.41 0.00 0.00 173.24 173.66 2wvx s LEU 689 N -1.92 1.45 -0.20 2.44 2.96 -0.38 -1.26 118.68 121.76 2wvx s LEU 689 Ca 0.01 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 2wvx s LEU 689 Cb -0.09 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 2wvx s LEU 689 CO 0.02 -0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 2wvx s VAL 690 N 1.01 5.27 -0.28 1.68 1.01 -0.50 -0.59 120.40 128.00 2wvx s VAL 690 Ca -0.08 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2wvx s VAL 690 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2wvx s VAL 690 CO -0.00 0.43 0.06 -0.63 0.00 0.00 0.00 175.10 174.96 2wvx s ILE 691 N 0.50 3.89 -0.28 2.22 1.01 0.14 -0.43 121.20 128.26 2wvx s ILE 691 Ca 0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wvx s ILE 691 Cb -0.12 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.43 2wvx s ILE 691 CO -0.00 0.13 -0.04 -0.62 0.00 0.00 0.00 174.94 174.40 2wvx s ASP 692 N 1.50 4.68 -0.50 3.58 2.15 0.64 -1.23 116.67 127.49 2wvx s ASP 692 Ca 0.03 -1.27 0.07 0.00 0.43 0.00 0.00 52.55 51.81 2wvx s ASP 692 Cb -0.17 -1.65 0.26 0.00 -0.30 0.00 0.00 42.92 41.06 2wvx s ASP 692 CO 0.02 -0.22 0.65 0.00 -0.17 0.00 0.00 175.17 175.44 2wvx n ALA 693 N 4.56 3.19 0.26 3.66 0.00 0.13 -0.12 120.51 132.19 2wvx n ALA 693 Ca -0.14 -4.03 0.12 0.00 0.00 0.00 0.00 53.44 49.39 2wvx n ALA 693 Cb 0.43 -0.85 0.68 0.00 0.00 0.00 0.00 19.45 19.72 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 3.95 0.00 -0.38 0.00 0.13 -1.76 -1.48 132.00 132.46 2wvx h PRO 694 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2wvx h PRO 694 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2wvx h PRO 694 CO 0.64 0.14 0.00 -1.71 -0.23 0.00 0.00 178.00 176.83 2wvx n ASN 695 N -3.62 2.31 -4.75 1.44 4.05 -1.26 -4.95 115.26 108.48 2wvx n ASN 695 Ca -0.02 -1.94 -0.42 0.00 0.45 0.00 0.00 54.58 52.66 2wvx n ASN 695 Cb 0.27 -0.25 -0.00 0.00 1.23 0.00 0.00 39.78 41.02 2wvx n ASN 695 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2wvx n ASN 696 N 0.75 3.49 -3.03 1.20 2.85 -0.56 -4.75 115.26 115.22 2wvx n ASN 696 Ca 0.16 1.21 -0.10 0.00 -0.11 0.00 0.00 54.58 55.73 2wvx n ASN 696 Cb 0.38 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.83 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 -0.09 0.27 0.40 1.20 1.04 -1.24 -4.88 113.70 110.40 2wvx s SER 697 Ca 0.55 -1.24 0.11 0.00 0.48 0.00 0.00 55.95 55.86 2wvx s SER 697 Cb -0.51 0.80 0.91 0.00 0.10 0.00 0.00 66.02 67.32 2wvx s SER 697 CO 0.61 -1.57 1.94 0.74 0.98 0.00 0.00 173.24 175.93 2wvx h THR 698 N 2.03 0.89 0.00 2.02 2.02 -1.96 -2.72 112.91 115.19 2wvx h THR 698 Ca -0.31 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 2wvx h THR 698 Cb 1.25 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2wvx h THR 698 CO 0.40 0.10 -1.46 -0.62 0.37 0.00 0.00 175.52 174.31 2wvx n GLU 699 N -4.49 0.63 -3.15 6.66 4.71 -1.26 -4.66 120.64 119.08 2wvx n GLU 699 Ca 0.13 0.13 -0.44 0.00 -0.01 0.00 0.00 57.16 56.97 2wvx n GLU 699 Cb 0.39 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 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 -2.75 5.75 -0.75 1.62 5.03 -1.03 -4.25 115.26 118.88 2wvx n ASN 700 Ca -0.08 -3.15 0.08 0.00 0.87 0.00 0.00 54.58 52.30 2wvx n ASN 700 Cb 0.76 -1.37 0.11 0.00 -1.02 0.00 0.00 39.78 38.26 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 2.63 0.17 -3.58 3.10 1.16 -1.11 -3.63 117.46 116.20 2wvx n PHE 701 Ca 0.27 -0.12 -0.32 0.00 -1.87 0.00 0.00 57.45 55.40 2wvx n PHE 701 Cb 0.37 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.19 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 -1.30 3.47 -0.38 2.97 2.02 -0.67 -4.73 117.35 118.72 2wvx s TYR 702 Ca 0.24 0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 57.46 2wvx s TYR 702 Cb 0.15 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 2wvx s TYR 702 CO 0.22 0.38 0.42 0.42 -1.57 0.00 0.00 175.55 175.43 2wvx s ILE 703 N -1.69 5.10 -0.03 2.71 1.01 -1.26 -0.84 121.20 126.20 2wvx s ILE 703 Ca 0.42 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.82 2wvx s ILE 703 Cb -0.12 -3.95 -0.32 0.00 0.01 0.00 0.00 42.46 38.08 2wvx s ILE 703 CO 0.23 -0.27 0.82 -0.78 0.00 0.00 0.00 174.94 174.94 2wvx h ASP 704 N 8.59 0.61 -0.51 3.58 3.58 -0.58 -3.40 116.42 128.29 2wvx h ASP 704 Ca -0.28 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.25 2wvx h ASP 704 Cb 1.12 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2wvx h ASP 704 CO 0.75 1.61 0.00 -1.54 -2.88 0.00 0.00 179.24 177.19 2wvx n SER 705 N -3.86 0.00 -3.56 2.28 3.41 -1.20 -4.88 113.62 105.80 2wvx n SER 705 Ca -0.19 -0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 57.81 2wvx n SER 705 Cb 0.98 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.54 -0.51 -0.19 4.04 1.04 -0.45 -0.66 113.70 117.52 2wvx s SER 707 Ca 0.00 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2wvx s SER 707 Cb 0.00 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2wvx s SER 707 CO 0.00 -0.43 -0.08 0.12 0.98 0.00 0.00 173.24 173.83 2wvx s PHE 708 N -0.98 2.21 -1.50 5.02 2.19 0.10 -1.31 117.98 123.72 2wvx s PHE 708 Ca -0.05 -1.47 -0.04 0.00 0.33 0.00 0.00 56.93 55.71 2wvx s PHE 708 Cb -0.01 -1.54 0.03 0.00 -1.31 0.00 0.00 43.02 40.19 2wvx s PHE 708 CO 0.04 -0.71 0.40 0.09 1.83 0.00 0.00 175.22 176.87 2wvx n ASN 709 N 4.74 -0.59 0.00 6.13 5.03 0.22 -1.60 115.26 129.18 2wvx n ASN 709 Ca -0.14 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.25 2wvx n ASN 709 Cb 0.47 -2.68 0.00 0.00 -1.02 0.00 0.00 39.78 36.55 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 -1.99 2.15 3.86 7.41 0.00 -1.26 -5.02 105.19 110.35 2wvx n GLY 710 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.84 3.83 0.31 4.61 0.00 -0.63 -5.05 121.76 122.00 2wvx s ALA 711 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2wvx s ALA 711 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 23.12 21.09 2wvx s ALA 711 CO 0.00 0.62 1.39 0.34 0.00 0.00 0.00 175.76 178.11 2wvx s ASP 712 N -1.07 6.65 -0.34 0.00 2.15 -1.26 0.00 116.67 122.80 2wvx s ASP 712 Ca 0.15 2.76 -0.00 0.00 0.43 0.00 0.00 52.55 55.89 2wvx s ASP 712 Cb -0.12 -2.64 0.11 0.00 -0.30 0.00 0.00 42.92 39.97 2wvx s ASP 712 CO 0.05 -0.66 0.14 -2.28 -0.17 0.00 0.00 175.17 172.25 2wvx s HIS 713 N -0.77 1.61 -2.30 -5.34 5.65 -1.26 -4.81 115.29 108.08 2wvx s HIS 713 Ca 0.53 -1.83 0.24 0.00 0.25 0.00 0.00 55.06 54.25 2wvx s HIS 713 Cb -0.42 -1.65 0.33 0.00 -1.18 0.00 0.00 32.58 29.67 2wvx s HIS 713 CO 0.52 -0.85 1.31 0.25 -0.65 0.00 0.00 174.74 175.32 2wvx n THR 714 N 4.52 0.00 -2.14 0.89 -2.24 -1.26 -4.68 114.28 109.36 2wvx n THR 714 Ca 0.01 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 2wvx n THR 714 Cb 0.40 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.30 3.50 -0.13 -0.78 1.02 -1.26 -3.60 119.74 116.19 2wvx s LYS 715 Ca 0.25 1.84 0.04 0.00 0.02 0.00 0.00 55.97 58.12 2wvx s LYS 715 Cb 0.19 -2.27 0.31 0.00 -0.52 0.00 0.00 37.83 35.54 2wvx s LYS 715 CO 0.46 -0.78 1.16 0.09 -0.92 0.00 0.00 175.35 175.36 2wvx n ASN 716 N -0.82 3.10 -3.60 2.83 5.03 0.17 -4.89 115.26 117.07 2wvx n ASN 716 Ca 0.09 -2.50 -0.11 0.00 0.87 0.00 0.00 54.58 52.94 2wvx n ASN 716 Cb 0.48 -0.60 -0.04 0.00 -1.02 0.00 0.00 39.78 38.60 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 -1.56 -0.27 0.10 3.10 -0.85 -1.26 -4.47 117.35 112.14 2wvx s TYR 717 Ca 0.23 -0.03 0.09 0.00 -0.52 0.00 0.00 57.07 56.84 2wvx s TYR 717 Cb 0.18 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 2wvx s TYR 717 CO 0.06 -0.77 -0.24 -0.51 -1.52 0.00 0.00 175.55 172.56 2wvx s LEU 718 N -2.80 2.28 -0.10 -3.49 1.43 0.13 -4.96 118.68 111.16 2wvx s LEU 718 Ca 0.04 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2wvx s LEU 718 Cb 0.01 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2wvx s LEU 718 CO -0.11 0.14 0.05 -0.13 0.23 0.00 0.00 176.35 176.53 2wvx s ARG 719 N -1.80 3.19 0.19 1.70 0.52 -1.26 -0.54 118.95 120.94 2wvx s ARG 719 Ca 0.10 -0.32 -0.20 0.00 -0.52 0.00 0.00 55.73 54.80 2wvx s ARG 719 Cb -0.10 -2.94 0.13 0.00 0.52 0.00 0.00 34.95 32.56 2wvx s ARG 719 CO 0.04 0.70 1.60 1.25 0.02 0.00 0.00 175.30 178.91 2wvx h HIS 720 N 5.21 -0.75 -0.29 -0.53 -0.00 -0.87 -0.81 115.15 117.11 2wvx h HIS 720 Ca -0.51 0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 59.88 2wvx h HIS 720 Cb 1.20 0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 29.01 2wvx h HIS 720 CO 0.67 -0.35 0.00 0.93 -0.00 0.00 0.00 177.93 179.18 2wvx h GLU 721 N -0.15 0.44 -0.20 5.26 3.07 -1.96 -1.55 114.58 119.50 2wvx h GLU 721 Ca 0.23 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 2wvx h GLU 721 Cb 0.52 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2wvx h GLU 721 CO -0.62 0.47 -0.15 -0.44 -1.40 0.00 0.00 179.01 176.87 2wvx h ASP 722 N 0.43 0.47 -0.42 1.42 3.32 -1.60 -2.78 116.42 117.25 2wvx h ASP 722 Ca 0.10 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.75 2wvx h ASP 722 Cb 0.28 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2wvx h ASP 722 CO 0.01 0.82 0.12 -0.07 -1.72 0.00 0.00 179.24 178.39 2wvx h LEU 723 N 0.12 0.08 -2.65 1.55 3.38 -0.84 -2.00 115.31 114.95 2wvx h LEU 723 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wvx h LEU 723 Cb 0.67 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2wvx h LEU 723 CO 0.04 0.08 0.03 -0.26 0.09 0.00 0.00 178.44 178.42 2wvx h PHE 724 N 0.26 0.00 0.00 1.13 -1.00 -1.24 0.01 116.94 116.10 2wvx h PHE 724 Ca 0.20 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.95 2wvx h PHE 724 Cb 0.22 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.78 2wvx h PHE 724 CO -0.18 0.00 -0.15 0.87 -1.61 0.00 0.00 178.31 177.24 2wvx h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.07 -3.44 116.57 115.13 2wvx h LYS 725 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wvx h LYS 725 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2wvx h LYS 725 CO -0.00 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 2wvx n GLY 726 N 0.48 -2.10 0.00 3.86 0.00 -0.01 -4.83 105.19 102.58 2wvx n GLY 726 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.09 0.30 3.02 -0.02 0.00 -0.39 -4.92 105.19 103.09 2wvx n GLY 727 Ca 0.00 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.01 -0.11 2.61 2.01 -1.26 -1.41 115.64 117.47 2wvx s THR 728 Ca 0.00 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2wvx s THR 728 Cb 0.00 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2wvx s THR 728 CO 0.00 0.01 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.15 2wvx s ILE 729 N 0.32 2.77 -0.14 1.82 1.01 0.43 -0.61 121.20 126.79 2wvx s ILE 729 Ca -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 2wvx s ILE 729 Cb -0.03 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2wvx s ILE 729 CO -0.01 0.54 -0.07 -0.75 0.00 0.00 0.00 174.94 174.65 2wvx s LYS 730 N 0.16 3.53 -0.18 2.79 2.47 -0.43 -0.26 119.74 127.82 2wvx s LYS 730 Ca -0.09 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 53.76 2wvx s LYS 730 Cb -0.15 -2.80 0.02 0.00 -1.46 0.00 0.00 37.83 33.43 2wvx s LYS 730 CO 0.06 0.26 -0.18 0.08 0.16 0.00 0.00 175.35 175.72 2wvx s VAL 731 N 0.28 2.00 0.41 4.02 1.01 0.83 -1.34 120.40 127.61 2wvx s VAL 731 Ca -0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2wvx s VAL 731 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2wvx s VAL 731 CO 0.04 0.48 0.68 -1.81 0.00 0.00 0.00 175.10 174.49 2wvx s ASP 732 N 1.30 6.31 0.00 3.32 1.11 0.17 -4.30 116.67 124.59 2wvx s ASP 732 Ca 0.04 0.75 0.00 0.00 0.18 0.00 0.00 52.55 53.52 2wvx s ASP 732 Cb -0.14 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.69 2wvx s ASP 732 CO -0.12 -0.42 0.00 -0.24 1.18 0.00 0.00 175.17 175.57 2wvx n SER 734 N -1.88 0.00 -0.68 0.27 2.88 -0.02 0.20 113.62 114.40 2wvx n SER 734 Ca -0.01 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.65 2wvx n SER 734 Cb 0.55 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.37 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 2.08 -4.22 -3.46 6.94 -1.26 -1.67 115.26 113.67 2wvx n ASN 735 Ca 0.00 -1.72 -0.24 0.00 -0.02 0.00 0.00 54.58 52.61 2wvx n ASN 735 Cb 0.00 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.88 1.22 0.28 -3.83 3.00 -1.26 -4.93 118.95 111.54 2wvx s ARG 736 Ca 0.35 -0.91 -0.29 0.00 0.00 0.00 0.00 55.73 54.87 2wvx s ARG 736 Cb 0.20 -1.31 -0.10 0.00 0.00 0.00 0.00 34.95 33.74 2wvx s ARG 736 CO 0.31 0.33 1.13 -1.25 0.00 0.00 0.00 175.30 175.82 2wvx s PRO 737 N -1.24 4.60 -0.63 3.54 0.04 -1.26 -4.79 135.00 135.25 2wvx s PRO 737 Ca 0.05 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 2wvx s PRO 737 Cb -0.09 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.37 2wvx s PRO 737 CO 0.02 0.14 0.80 1.21 0.04 0.00 0.00 177.00 179.22 2wvx s ASN 738 N -0.76 6.20 0.06 6.66 3.84 -1.26 -4.90 114.94 124.78 2wvx s ASN 738 Ca 0.46 -1.33 0.15 0.00 0.21 0.00 0.00 52.86 52.34 2wvx s ASN 738 Cb -0.33 -2.34 0.63 0.00 -0.55 0.00 0.00 41.25 38.66 2wvx s ASN 738 CO 0.42 -1.21 1.46 0.18 -2.79 0.00 0.00 177.10 175.16 2wvx n LEU 739 N 6.75 0.15 -0.00 3.21 4.32 -1.26 -2.95 117.00 127.21 2wvx n LEU 739 Ca -0.06 0.54 0.08 0.00 -0.02 0.00 0.00 56.01 56.55 2wvx n LEU 739 Cb 0.44 -0.53 -0.11 0.00 -1.62 0.00 0.00 43.42 41.60 2wvx n LEU 739 CO 0.60 -0.37 -0.27 0.59 -1.22 0.00 0.00 177.39 176.72 2wvx n ASN 740 N -1.67 0.86 -4.75 -1.43 3.02 -1.26 -4.93 115.26 105.10 2wvx n ASN 740 Ca 0.03 -0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 53.59 2wvx n ASN 740 Cb 0.15 1.28 -0.05 0.00 -0.61 0.00 0.00 39.78 40.55 2wvx n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wvx s ARG 741 N -2.83 4.50 -0.37 3.52 3.52 -1.15 -4.13 118.95 122.01 2wvx s ARG 741 Ca 0.02 1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 56.67 2wvx s ARG 741 Cb 0.12 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2wvx s ARG 741 CO 0.71 0.34 0.14 0.41 -0.81 0.00 0.00 175.30 176.09 2wvx n GLY 742 N 2.25 0.38 0.28 8.12 0.00 -1.24 -4.72 105.19 110.27 2wvx n GLY 742 Ca -0.03 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.55 0.00 -2.76 2.61 -2.24 -1.26 -4.54 114.28 102.53 2wvx n THR 743 Ca -0.03 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 2wvx n THR 743 Cb 0.53 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.65 3.55 0.24 -0.78 1.02 -1.26 -4.90 119.74 116.95 2wvx s LYS 744 Ca 0.08 0.14 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 2wvx s LYS 744 Cb 0.06 -2.42 0.37 0.00 -0.52 0.00 0.00 37.83 35.32 2wvx s LYS 744 CO 0.10 -0.14 1.82 1.49 -0.92 0.00 0.00 175.35 177.70 2wvx h GLU 745 N 0.39 0.79 0.00 1.68 4.22 -2.03 -0.90 114.58 118.73 2wvx h GLU 745 Ca -0.47 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2wvx h GLU 745 Cb 1.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2wvx h GLU 745 CO 0.62 0.52 0.00 -0.85 -2.18 0.00 0.00 179.01 177.12 2wvx n GLU 746 N -4.72 0.02 -1.62 1.92 0.28 -1.26 -4.89 120.64 110.37 2wvx n GLU 746 Ca 0.13 0.23 -0.40 0.00 -0.16 0.00 0.00 57.16 56.96 2wvx n GLU 746 Cb 0.25 -1.53 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 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 -1.56 7.72 -4.76 -1.84 8.00 -0.35 -4.87 116.55 118.89 2wvx n ASP 747 Ca 0.04 -2.79 -0.32 0.00 0.71 0.00 0.00 54.79 52.42 2wvx n ASP 747 Cb 0.20 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 39.71 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 1.28 2.18 0.24 -0.24 0.02 -1.26 -0.66 135.00 136.57 2wvx s PRO 749 Ca 0.61 -2.35 -0.31 0.00 0.02 0.00 0.00 61.00 58.97 2wvx s PRO 749 Cb 0.17 -1.59 -0.12 0.00 0.02 0.00 0.00 34.50 32.98 2wvx s PRO 749 CO -0.07 -0.35 1.63 0.98 -0.33 0.00 0.00 177.00 178.86 2wvx n TYR 750 N -1.28 2.68 -4.46 6.54 9.36 -1.26 -5.02 117.16 123.73 2wvx n TYR 750 Ca -0.17 0.19 -0.22 0.00 3.32 0.00 0.00 57.90 61.03 2wvx n TYR 750 Cb 0.67 -2.61 -0.16 0.00 -0.63 0.00 0.00 39.34 36.61 2wvx n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2wvx s SER 751 N 0.78 1.39 0.36 2.98 0.01 -1.26 -4.61 113.70 113.35 2wvx s SER 751 Ca 0.70 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.80 2wvx s SER 751 Cb -0.54 -0.42 0.74 0.00 0.21 0.00 0.00 66.02 66.01 2wvx s SER 751 CO 0.41 0.07 1.95 0.15 0.41 0.00 0.00 173.24 176.23 2wvx h PHE 752 N 6.47 0.78 -0.54 2.43 3.57 -1.12 -0.46 116.94 128.08 2wvx h PHE 752 Ca -0.33 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.30 2wvx h PHE 752 Cb 1.17 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2wvx h PHE 752 CO 0.45 0.40 0.37 0.77 -2.23 0.00 0.00 178.31 178.07 2wvx h SER 753 N 0.76 0.24 1.00 0.41 0.02 -1.91 -1.19 113.55 112.89 2wvx h SER 753 Ca 0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2wvx h SER 753 Cb 0.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2wvx h SER 753 CO -0.11 0.14 -0.73 0.11 -1.14 0.00 0.00 176.83 175.09 2wvx h LYS 754 N 0.26 0.00 0.00 3.45 1.57 -1.50 -3.50 116.57 116.85 2wvx h LYS 754 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2wvx h LYS 754 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wvx h LYS 754 CO -0.05 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.92