#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvx n THR 2 N 0.00 0.00 -2.02 2.61 -1.04 -1.25 -4.87 114.28 107.71 1pvx n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1pvx n THR 2 Cb 0.00 -0.08 -0.03 0.00 -1.82 0.00 0.00 70.33 68.40 1pvx n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pvx s THR 3 N 0.46 2.86 0.66 12.58 2.01 -0.67 -4.96 115.64 128.59 1pvx s THR 3 Ca 0.30 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 1pvx s THR 3 Cb -0.43 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1pvx s THR 3 CO 0.21 0.05 1.23 -2.16 -0.69 0.00 0.00 174.62 173.27 1pvx s PRO 4 N 1.06 2.51 0.40 4.92 0.04 -1.26 -4.90 135.00 137.77 1pvx s PRO 4 Ca 0.68 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 1pvx s PRO 4 Cb -0.41 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1pvx s PRO 4 CO 0.31 -1.57 1.11 0.09 0.04 0.00 0.00 177.00 176.98 1pvx n ASN 5 N -2.14 1.76 -3.54 6.66 3.02 -1.26 -4.98 115.26 114.77 1pvx n ASN 5 Ca 0.14 1.09 -0.17 0.00 -0.03 0.00 0.00 54.58 55.61 1pvx n ASN 5 Cb 0.49 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 1pvx n ASN 5 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pvx s SER 6 N -0.63 -0.58 -0.01 6.41 0.15 -0.71 -5.02 113.70 113.31 1pvx s SER 6 Ca 0.61 0.54 -0.17 0.00 0.70 0.00 0.00 55.95 57.63 1pvx s SER 6 Cb -0.56 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1pvx s SER 6 CO 0.58 -0.64 0.37 -0.70 1.20 0.00 0.00 173.24 174.06 1pvx s GLU 7 N -1.55 0.76 0.00 5.44 2.12 -1.26 -0.66 118.70 123.55 1pvx s GLU 7 Ca -0.10 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1pvx s GLU 7 Cb -0.01 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1pvx s GLU 7 CO 0.06 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1pvx n GLY 8 N 1.11 0.21 3.67 -1.50 0.00 -0.80 -5.00 105.19 102.87 1pvx n GLY 8 Ca -0.21 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1pvx n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pvx s TRP 9 N -4.00 3.12 -0.13 1.61 0.52 -1.26 -0.77 118.94 118.03 1pvx s TRP 9 Ca 0.00 0.16 -0.04 0.00 0.02 0.00 0.00 56.10 56.24 1pvx s TRP 9 Cb 0.00 -1.77 0.07 0.00 -1.15 0.00 0.00 33.47 30.62 1pvx s TRP 9 CO 0.00 0.45 0.25 -1.58 0.02 0.00 0.00 176.95 176.09 1pvx s HIS 10 N -0.89 -0.38 -1.47 -1.98 2.46 -0.30 -4.94 115.29 107.78 1pvx s HIS 10 Ca 0.14 0.84 -0.12 0.00 0.47 0.00 0.00 55.06 56.38 1pvx s HIS 10 Cb -0.11 -0.10 0.09 0.00 -0.13 0.00 0.00 32.58 32.32 1pvx s HIS 10 CO 0.03 -0.38 0.74 -0.25 -2.47 0.00 0.00 174.74 172.41 1pvx n ASP 11 N 5.34 -4.32 0.00 9.88 9.92 -1.26 -1.43 116.55 134.69 1pvx n ASP 11 Ca -0.06 -0.63 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1pvx n ASP 11 Cb 0.50 -3.50 0.00 0.00 -0.64 0.00 0.00 41.12 37.48 1pvx n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pvx n GLY 12 N -1.44 0.84 3.51 0.44 0.00 -1.26 -4.72 105.19 102.55 1pvx n GLY 12 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1pvx n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pvx s TYR 13 N -3.31 2.61 0.46 1.61 1.51 -0.52 -5.03 117.35 114.68 1pvx s TYR 13 Ca 0.00 -0.22 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 1pvx s TYR 13 Cb 0.00 -1.41 -0.08 0.00 -0.11 0.00 0.00 41.96 40.36 1pvx s TYR 13 CO 0.00 0.36 0.90 -0.47 -1.11 0.00 0.00 175.55 175.23 1pvx s TYR 14 N -1.09 3.43 0.05 2.71 5.04 0.06 -1.15 117.35 126.40 1pvx s TYR 14 Ca 0.18 1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 56.10 1pvx s TYR 14 Cb -0.11 -2.68 -0.01 0.00 0.35 0.00 0.00 41.96 39.51 1pvx s TYR 14 CO 0.09 -0.23 0.11 1.52 -1.34 0.00 0.00 175.55 175.70 1pvx s TYR 15 N -2.45 0.21 -0.01 4.97 1.13 0.05 -0.22 117.35 121.04 1pvx s TYR 15 Ca 0.57 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.68 1pvx s TYR 15 Cb -0.10 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1pvx s TYR 15 CO 0.28 -0.40 -0.02 0.45 -2.51 0.00 0.00 175.55 173.34 1pvx s SER 16 N -2.34 0.33 -0.03 -0.18 0.15 -0.64 -1.91 113.70 109.08 1pvx s SER 16 Ca -0.02 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1pvx s SER 16 Cb 0.01 -0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1pvx s SER 16 CO -0.06 0.01 0.04 0.86 1.20 0.00 0.00 173.24 175.28 1pvx s TRP 17 N 0.16 0.13 -0.00 3.44 -0.11 0.17 -1.24 118.94 121.49 1pvx s TRP 17 Ca -0.01 0.14 -0.01 0.00 1.22 0.00 0.00 56.10 57.44 1pvx s TRP 17 Cb -0.04 -0.41 -0.00 0.00 -1.50 0.00 0.00 33.47 31.52 1pvx s TRP 17 CO -0.00 -0.15 0.02 -0.46 -4.62 0.00 0.00 176.95 171.73 1pvx s TRP 18 N 1.59 0.06 0.15 5.86 -0.00 -0.43 -1.74 118.94 124.43 1pvx s TRP 18 Ca -0.02 -0.12 -0.03 0.00 -0.00 0.00 0.00 56.10 55.92 1pvx s TRP 18 Cb -0.13 -0.06 -0.03 0.00 -0.00 0.00 0.00 33.47 33.26 1pvx s TRP 18 CO -0.03 -0.09 0.14 -1.54 -0.00 0.00 0.00 176.95 175.42 1pvx s SER 19 N -0.57 0.21 0.00 5.86 1.04 -1.26 -1.29 113.70 117.69 1pvx s SER 19 Ca -0.06 -1.14 0.26 0.00 0.48 0.00 0.00 55.95 55.49 1pvx s SER 19 Cb -0.04 0.35 1.11 0.00 0.10 0.00 0.00 66.02 67.55 1pvx s SER 19 CO -0.00 -0.80 1.77 -0.90 0.98 0.00 0.00 173.24 174.29 1pvx n ASP 20 N -0.16 1.18 0.00 7.02 5.68 -0.47 -4.91 116.55 124.90 1pvx n ASP 20 Ca -0.05 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1pvx n ASP 20 Cb 0.64 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1pvx n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pvx n GLY 21 N 1.10 1.46 0.17 6.12 0.00 -1.26 -4.91 105.19 107.88 1pvx n GLY 21 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1pvx n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pvx h GLY 22 N 0.00 0.00 -4.62 -0.02 0.00 -1.91 -3.46 103.07 93.06 1pvx h GLY 22 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1pvx h GLY 22 CO 0.00 0.00 -0.62 -0.32 0.00 0.00 0.00 176.54 175.60 1pvx s GLY 23 N -4.38 1.98 0.16 4.60 0.00 -1.26 -4.41 107.32 104.01 1pvx s GLY 23 Ca 0.05 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 1pvx s GLY 23 CO 0.72 -1.00 1.18 -0.35 0.00 0.00 0.00 173.10 173.65 1pvx s ASP 24 N -2.27 7.11 -0.15 1.64 2.15 -1.26 -4.76 116.67 119.13 1pvx s ASP 24 Ca 0.27 2.17 -0.30 0.00 0.43 0.00 0.00 52.55 55.12 1pvx s ASP 24 Cb -0.12 -2.60 0.13 0.00 -0.30 0.00 0.00 42.92 40.03 1pvx s ASP 24 CO 0.19 -0.37 1.06 -0.94 -0.17 0.00 0.00 175.17 174.94 1pvx s SER 25 N 0.26 -0.29 -0.12 -0.34 1.04 -1.26 -0.74 113.70 112.25 1pvx s SER 25 Ca 0.53 0.22 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1pvx s SER 25 Cb -0.32 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1pvx s SER 25 CO 0.35 -0.33 -0.19 -0.89 0.98 0.00 0.00 173.24 173.15 1pvx s THR 26 N -1.64 1.81 -0.17 2.02 2.01 -0.37 -1.66 115.64 117.63 1pvx s THR 26 Ca 0.02 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1pvx s THR 26 Cb -0.01 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1pvx s THR 26 CO -0.02 0.50 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.87 1pvx s TYR 27 N 0.88 2.93 -0.05 4.92 6.14 -1.26 -1.36 117.35 129.54 1pvx s TYR 27 Ca -0.07 -0.66 0.03 0.00 0.64 0.00 0.00 57.07 57.01 1pvx s TYR 27 Cb -0.15 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.25 1pvx s TYR 27 CO -0.02 -0.30 -0.13 0.99 0.64 0.00 0.00 175.55 176.74 1pvx s THR 28 N 0.81 1.17 -0.21 4.34 2.01 -0.29 -4.96 115.64 118.52 1pvx s THR 28 Ca -0.02 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 1pvx s THR 28 Cb -0.15 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1pvx s THR 28 CO 0.01 0.36 0.73 0.20 -0.69 0.00 0.00 174.62 175.23 1pvx s ASN 29 N 0.40 6.78 0.34 3.53 0.02 -1.26 -0.99 114.94 123.76 1pvx s ASN 29 Ca -0.10 0.96 0.05 0.00 -1.02 0.00 0.00 52.86 52.75 1pvx s ASN 29 Cb -0.13 -2.40 0.05 0.00 0.02 0.00 0.00 41.25 38.79 1pvx s ASN 29 CO 0.03 -0.37 0.41 0.59 0.02 0.00 0.00 177.10 177.77 1pvx n ASN 30 N 5.40 1.48 -4.77 -1.22 5.03 -0.04 -4.99 115.26 116.14 1pvx n ASN 30 Ca 0.02 -1.97 -0.41 0.00 0.87 0.00 0.00 54.58 53.09 1pvx n ASN 30 Cb 0.49 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.05 1pvx n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1pvx s SER 31 N -3.06 6.50 1.89 6.41 0.01 -1.26 -4.27 113.70 119.93 1pvx s SER 31 Ca 0.31 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1pvx s SER 31 Cb -0.02 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1pvx s SER 31 CO 0.20 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1pvx n GLY 32 N 0.74 3.86 0.69 3.44 0.00 -1.26 -2.44 105.19 110.21 1pvx n GLY 32 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1pvx n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvx n GLY 33 N 0.00 0.86 3.88 -0.02 0.00 -1.26 -4.80 105.19 103.86 1pvx n GLY 33 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1pvx n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pvx s THR 34 N -1.63 5.43 0.05 2.61 2.01 -1.02 -1.34 115.64 121.74 1pvx s THR 34 Ca 0.21 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1pvx s THR 34 Cb 0.12 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1pvx s THR 34 CO 0.12 0.49 0.02 -0.72 -0.69 0.00 0.00 174.62 173.84 1pvx s TYR 35 N -1.16 0.36 -0.00 4.92 1.13 -0.58 -0.86 117.35 121.16 1pvx s TYR 35 Ca 0.20 -0.79 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 1pvx s TYR 35 Cb -0.12 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1pvx s TYR 35 CO 0.11 -0.36 -0.06 -2.00 -2.51 0.00 0.00 175.55 170.72 1pvx s GLU 36 N -3.18 0.52 -0.05 -3.49 2.12 -0.16 -1.52 118.70 112.94 1pvx s GLU 36 Ca -0.00 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.07 1pvx s GLU 36 Cb 0.02 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 33.95 1pvx s GLU 36 CO -0.07 0.13 -0.06 0.42 -0.54 0.00 0.00 175.26 175.14 1pvx s ILE 37 N -0.24 0.63 -0.14 -3.70 1.01 -0.13 -1.13 121.20 117.49 1pvx s ILE 37 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1pvx s ILE 37 Cb -0.03 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1pvx s ILE 37 CO -0.00 0.24 -0.20 -0.89 0.00 0.00 0.00 174.94 174.09 1pvx s THR 38 N 0.86 1.92 0.04 2.92 2.01 -0.47 -1.15 115.64 121.77 1pvx s THR 38 Ca -0.12 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1pvx s THR 38 Cb -0.15 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1pvx s THR 38 CO 0.01 0.52 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.76 1pvx s TRP 39 N 0.99 0.44 0.23 4.92 -2.14 -0.57 -1.23 118.94 121.57 1pvx s TRP 39 Ca -0.04 -0.65 0.03 0.00 2.66 0.00 0.00 56.10 58.10 1pvx s TRP 39 Cb -0.15 -0.30 0.03 0.00 -3.10 0.00 0.00 33.47 29.96 1pvx s TRP 39 CO -0.05 -0.20 0.26 0.41 -2.66 0.00 0.00 176.95 174.72 1pvx n GLY 40 N 1.17 2.29 3.84 3.67 0.00 0.08 -1.23 105.19 115.01 1pvx n GLY 40 Ca -0.21 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 1pvx n GLY 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pvx s ASN 41 N -2.37 5.26 0.00 1.61 2.47 -1.26 -4.32 114.94 116.33 1pvx s ASN 41 Ca 0.20 1.36 0.00 0.00 0.42 0.00 0.00 52.86 54.84 1pvx s ASN 41 Cb -0.02 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1pvx s ASN 41 CO 0.13 -1.49 0.00 0.61 -3.72 0.00 0.00 177.10 172.63 1pvx n GLY 42 N -2.42 1.55 0.88 1.21 0.00 -1.26 -4.29 105.19 100.86 1pvx n GLY 42 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1pvx n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvx n GLY 43 N 0.00 1.31 3.48 -0.02 0.00 -1.26 -4.00 105.19 104.70 1pvx n GLY 43 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1pvx n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pvx s ASN 44 N -1.54 4.37 -0.03 1.61 3.04 -1.26 -0.45 114.94 120.69 1pvx s ASN 44 Ca 0.05 -0.17 -0.21 0.00 0.04 0.00 0.00 52.86 52.57 1pvx s ASN 44 Cb -0.01 -1.37 0.04 0.00 -1.54 0.00 0.00 41.25 38.37 1pvx s ASN 44 CO 0.02 0.26 0.44 -1.48 -3.04 0.00 0.00 177.10 173.30 1pvx s LEU 45 N -0.19 0.32 -0.17 3.21 0.05 -0.88 -1.36 118.68 119.65 1pvx s LEU 45 Ca 0.02 0.31 -0.12 0.00 0.05 0.00 0.00 54.13 54.38 1pvx s LEU 45 Cb -0.13 1.72 0.05 0.00 -2.05 0.00 0.00 46.19 45.78 1pvx s LEU 45 CO 0.03 -0.51 0.43 0.54 -0.55 0.00 0.00 176.35 176.29 1pvx s VAL 46 N -1.29 -0.01 0.04 1.48 0.11 -0.41 -1.11 120.40 119.20 1pvx s VAL 46 Ca -0.13 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.74 1pvx s VAL 46 Cb -0.03 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1pvx s VAL 46 CO 0.06 0.02 0.54 -0.83 -3.33 0.00 0.00 175.10 171.56 1pvx s GLY 47 N 0.90 -0.45 0.00 6.54 0.00 -0.71 -1.32 107.32 112.29 1pvx s GLY 47 Ca -0.05 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1pvx s GLY 47 CO -0.07 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.01 1pvx n GLY 48 N 0.46 -0.82 3.53 0.20 0.00 -0.37 -0.83 105.19 107.36 1pvx n GLY 48 Ca -0.18 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1pvx n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvx s LYS 49 N -2.00 1.91 0.00 1.61 1.02 -1.24 -1.63 119.74 119.41 1pvx s LYS 49 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.55 1pvx s LYS 49 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1pvx s LYS 49 CO 0.00 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1pvx n GLY 50 N -0.17 -0.64 3.27 -3.33 0.00 0.70 -1.56 105.19 103.45 1pvx n GLY 50 Ca -0.09 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1pvx n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pvx s TRP 51 N -0.98 1.38 -0.25 1.61 0.51 -0.07 -0.76 118.94 120.38 1pvx s TRP 51 Ca 0.00 -0.71 -0.04 0.00 -2.12 0.00 0.00 56.10 53.23 1pvx s TRP 51 Cb 0.00 -0.68 0.13 0.00 -0.81 0.00 0.00 33.47 32.11 1pvx s TRP 51 CO 0.00 0.15 0.47 1.21 -0.51 0.00 0.00 176.95 178.27 1pvx s ASN 52 N -3.18 -0.42 0.51 2.95 2.47 -1.26 -1.45 114.94 114.55 1pvx s ASN 52 Ca 0.18 0.75 -0.06 0.00 0.42 0.00 0.00 52.86 54.15 1pvx s ASN 52 Cb 0.01 1.55 -0.04 0.00 -1.45 0.00 0.00 41.25 41.33 1pvx s ASN 52 CO 0.02 -0.26 0.83 -2.16 -3.72 0.00 0.00 177.10 171.81 1pvx s PRO 53 N 2.68 3.53 0.91 0.43 0.04 -1.26 -5.04 135.00 136.29 1pvx s PRO 53 Ca 0.08 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 1pvx s PRO 53 Cb -0.14 -2.32 0.14 0.00 0.04 0.00 0.00 34.50 32.22 1pvx s PRO 53 CO -0.16 -0.28 1.11 0.20 0.04 0.00 0.00 177.00 177.91 1pvx s GLY 54 N -4.12 1.59 0.11 0.56 0.00 -0.07 -4.89 107.32 100.50 1pvx s GLY 54 Ca 0.49 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.94 1pvx s GLY 54 CO 0.46 0.20 -0.17 1.08 0.00 0.00 0.00 173.10 174.67 1pvx s LEU 55 N -6.15 2.35 0.41 0.66 1.43 -1.26 -4.75 118.68 111.37 1pvx s LEU 55 Ca 0.64 -0.74 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1pvx s LEU 55 Cb -0.16 -0.72 0.87 0.00 0.03 0.00 0.00 46.19 46.21 1pvx s LEU 55 CO 0.55 -0.04 1.96 0.78 0.23 0.00 0.00 176.35 179.84 1pvx h ASN 56 N 3.82 0.20 -3.48 2.29 4.21 -1.96 -3.37 115.58 117.29 1pvx h ASN 56 Ca -0.43 -0.03 -0.61 0.00 1.21 0.00 0.00 56.30 56.44 1pvx h ASN 56 Cb 1.19 -0.05 -0.40 0.00 -1.12 0.00 0.00 38.32 37.94 1pvx h ASN 56 CO 0.45 0.31 -0.74 0.00 -1.29 0.00 0.00 177.43 176.16 1pvx s ALA 57 N -4.83 2.11 0.02 -0.83 0.00 -1.26 -2.63 121.76 114.34 1pvx s ALA 57 Ca -0.05 -2.50 0.09 0.00 0.00 0.00 0.00 51.96 49.49 1pvx s ALA 57 Cb 0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1pvx s ALA 57 CO 0.72 -2.01 -0.25 0.50 0.00 0.00 0.00 175.76 174.71 1pvx s ARG 58 N 0.51 1.86 -0.37 0.00 3.52 -1.26 -4.85 118.95 118.35 1pvx s ARG 58 Ca 0.17 -1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 54.61 1pvx s ARG 58 Cb -0.24 -1.94 -0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1pvx s ARG 58 CO -0.02 0.51 0.29 0.00 -0.81 0.00 0.00 175.30 175.27 1pvx s ALA 59 N -0.72 3.49 -0.19 6.12 0.00 -1.26 -1.53 121.76 127.67 1pvx s ALA 59 Ca 0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 1pvx s ALA 59 Cb -0.10 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1pvx s ALA 59 CO 0.01 -1.21 -0.06 0.42 0.00 0.00 0.00 175.76 174.93 1pvx s ILE 60 N 1.77 3.47 -0.05 0.00 1.01 0.04 -1.46 121.20 125.98 1pvx s ILE 60 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1pvx s ILE 60 Cb -0.18 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1pvx s ILE 60 CO 0.11 0.46 0.15 -2.28 0.00 0.00 0.00 174.94 173.37 1pvx s HIS 61 N 0.97 3.51 0.03 3.97 5.65 0.12 -0.47 115.29 129.07 1pvx s HIS 61 Ca -0.00 0.38 -0.02 0.00 0.25 0.00 0.00 55.06 55.67 1pvx s HIS 61 Cb -0.15 -1.85 -0.02 0.00 -1.18 0.00 0.00 32.58 29.38 1pvx s HIS 61 CO 0.00 0.66 0.00 -0.59 -0.65 0.00 0.00 174.74 174.16 1pvx s PHE 62 N -1.19 0.31 0.21 3.88 -0.71 -0.61 -1.17 117.98 118.70 1pvx s PHE 62 Ca 0.22 -0.65 -0.19 0.00 -1.04 0.00 0.00 56.93 55.27 1pvx s PHE 62 Cb -0.12 -0.23 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 1pvx s PHE 62 CO 0.13 -0.28 0.58 -0.08 -1.34 0.00 0.00 175.22 174.22 1pvx s THR 63 N -2.36 0.01 -5.00 -4.49 -1.32 -0.77 -1.19 115.64 100.52 1pvx s THR 63 Ca -0.07 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1pvx s THR 63 Cb -0.03 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.32 1pvx s THR 63 CO -0.04 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1pvx n GLY 64 N -0.38 0.41 3.19 6.08 0.00 -1.24 -0.89 105.19 112.36 1pvx n GLY 64 Ca -0.09 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1pvx n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pvx s VAL 65 N -3.94 2.08 -0.23 1.61 1.01 -0.15 -4.92 120.40 115.87 1pvx s VAL 65 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1pvx s VAL 65 Cb 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1pvx s VAL 65 CO 0.00 0.55 0.06 -0.47 0.00 0.00 0.00 175.10 175.24 1pvx s TYR 66 N 0.65 1.10 -0.53 5.22 5.04 -1.26 -0.87 117.35 126.70 1pvx s TYR 66 Ca -0.11 -1.03 0.05 0.00 -2.44 0.00 0.00 57.07 53.54 1pvx s TYR 66 Cb -0.16 -1.15 0.19 0.00 0.35 0.00 0.00 41.96 41.19 1pvx s TYR 66 CO 0.02 -0.68 0.46 1.04 -1.34 0.00 0.00 175.55 175.05 1pvx n GLN 67 N 5.03 1.06 -2.47 4.97 6.02 0.17 -5.03 117.38 127.12 1pvx n GLN 67 Ca -0.07 -3.78 -0.40 0.00 -0.01 0.00 0.00 57.00 52.73 1pvx n GLN 67 Cb 0.46 -1.88 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 1pvx n GLN 67 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1pvx s PRO 68 N -0.90 4.58 0.03 -1.09 0.04 -1.26 -1.97 135.00 134.44 1pvx s PRO 68 Ca 0.31 1.78 0.23 0.00 0.04 0.00 0.00 61.00 63.36 1pvx s PRO 68 Cb 0.04 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1pvx s PRO 68 CO -0.16 0.16 1.00 0.09 0.04 0.00 0.00 177.00 178.14 1pvx n ASN 69 N 1.05 0.63 0.00 6.66 3.02 -0.52 -4.99 115.26 121.10 1pvx n ASN 69 Ca -0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1pvx n ASN 69 Cb 0.45 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1pvx n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pvx n GLY 70 N 1.39 3.71 3.68 7.41 0.00 -1.25 -4.89 105.19 115.23 1pvx n GLY 70 Ca 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1pvx n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pvx s THR 71 N 1.75 4.22 0.03 2.61 2.01 -1.26 -2.69 115.64 122.31 1pvx s THR 71 Ca 0.00 1.53 -0.28 0.00 0.31 0.00 0.00 61.69 63.25 1pvx s THR 71 Cb 0.00 -3.98 0.09 0.00 0.01 0.00 0.00 72.50 68.62 1pvx s THR 71 CO 0.00 -0.04 1.00 -0.55 -0.69 0.00 0.00 174.62 174.35 1pvx s SER 72 N 1.65 -0.23 0.11 3.53 0.15 -1.26 -1.31 113.70 116.34 1pvx s SER 72 Ca 0.56 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 1pvx s SER 72 Cb -0.24 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1pvx s SER 72 CO 0.20 -0.64 0.23 -0.72 1.20 0.00 0.00 173.24 173.52 1pvx s TYR 73 N -3.01 0.19 -0.18 3.44 -0.85 -1.00 -1.41 117.35 114.53 1pvx s TYR 73 Ca 0.09 -0.59 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1pvx s TYR 73 Cb -0.00 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.34 1pvx s TYR 73 CO -0.04 -0.61 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.10 1pvx s LEU 74 N -2.88 2.02 0.08 -3.49 2.96 -0.36 -1.41 118.68 115.60 1pvx s LEU 74 Ca 0.08 -0.73 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1pvx s LEU 74 Cb 0.04 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.57 1pvx s LEU 74 CO -0.08 -0.12 0.38 -0.94 -1.32 0.00 0.00 176.35 174.28 1pvx s SER 75 N 1.44 -0.22 -0.07 3.68 1.04 -0.52 -0.97 113.70 118.08 1pvx s SER 75 Ca 0.01 -0.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 1pvx s SER 75 Cb -0.15 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1pvx s SER 75 CO -0.09 -0.74 1.21 -0.69 0.98 0.00 0.00 173.24 173.90 1pvx s VAL 76 N -3.12 4.27 0.00 5.02 1.01 -0.07 -0.39 120.40 127.12 1pvx s VAL 76 Ca -0.01 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1pvx s VAL 76 Cb 0.01 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1pvx s VAL 76 CO -0.07 -0.02 -0.05 -0.47 0.00 0.00 0.00 175.10 174.49 1pvx s TYR 77 N 2.42 0.44 -0.00 5.22 5.04 0.36 -0.41 117.35 130.43 1pvx s TYR 77 Ca 0.55 -0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1pvx s TYR 77 Cb -0.24 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1pvx s TYR 77 CO 0.21 -0.02 0.02 0.41 -1.34 0.00 0.00 175.55 174.82 1pvx n GLY 78 N 2.77 0.64 3.04 8.97 0.00 -1.02 -0.54 105.19 119.05 1pvx n GLY 78 Ca -0.14 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 1pvx n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pvx s TRP 79 N -3.11 0.48 0.29 1.61 0.52 -1.12 -1.36 118.94 116.25 1pvx s TRP 79 Ca 0.00 -0.64 0.08 0.00 0.02 0.00 0.00 56.10 55.56 1pvx s TRP 79 Cb -0.00 -0.31 -0.06 0.00 -1.15 0.00 0.00 33.47 31.95 1pvx s TRP 79 CO -0.00 -0.19 -0.10 0.95 0.02 0.00 0.00 176.95 177.64 1pvx s THR 80 N -2.04 1.94 0.07 2.01 -4.23 -0.07 -0.78 115.64 112.54 1pvx s THR 80 Ca -0.08 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.33 1pvx s THR 80 Cb -0.06 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1pvx s THR 80 CO -0.02 -0.31 -0.25 -0.13 -0.54 0.00 0.00 174.62 173.36 1pvx s ARG 81 N -3.65 1.60 -1.12 3.99 0.52 -0.37 -1.83 118.95 118.09 1pvx s ARG 81 Ca 0.30 -1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 1pvx s ARG 81 Cb 0.02 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1pvx s ARG 81 CO 0.13 0.47 0.84 0.09 0.02 0.00 0.00 175.30 176.85 1pvx n ASN 82 N 1.54 -5.34 -4.97 0.23 4.13 -1.26 -0.70 115.26 108.89 1pvx n ASN 82 Ca -0.17 -0.86 -0.21 0.00 1.68 0.00 0.00 54.58 55.01 1pvx n ASN 82 Cb 0.52 -4.23 -0.01 0.00 -1.54 0.00 0.00 39.78 34.52 1pvx n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1pvx s PRO 83 N -5.32 3.29 -0.31 3.52 0.04 -1.26 -4.05 135.00 130.90 1pvx s PRO 83 Ca 0.41 -0.75 -0.29 0.00 0.04 0.00 0.00 61.00 60.41 1pvx s PRO 83 Cb -0.10 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1pvx s PRO 83 CO 0.80 0.17 1.29 -1.17 0.04 0.00 0.00 177.00 178.13 1pvx s LEU 84 N -4.17 3.86 -0.02 -3.56 2.96 -1.26 -4.62 118.68 111.87 1pvx s LEU 84 Ca 0.41 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.47 1pvx s LEU 84 Cb -0.09 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1pvx s LEU 84 CO 0.32 -1.10 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.54 1pvx s VAL 85 N 4.40 0.29 -0.21 1.68 1.01 -0.76 -2.62 120.40 124.19 1pvx s VAL 85 Ca 0.56 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1pvx s VAL 85 Cb -0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1pvx s VAL 85 CO 0.23 0.14 -0.01 -0.70 0.00 0.00 0.00 175.10 174.77 1pvx s GLU 86 N 0.61 3.53 0.13 2.72 2.12 -0.43 -0.89 118.70 126.48 1pvx s GLU 86 Ca -0.07 -0.56 0.09 0.00 0.36 0.00 0.00 54.97 54.80 1pvx s GLU 86 Cb -0.10 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1pvx s GLU 86 CO -0.01 -0.09 -0.22 1.52 -0.54 0.00 0.00 175.26 175.92 1pvx s TYR 87 N 1.25 1.98 -0.03 5.30 -0.85 -0.46 -1.51 117.35 123.02 1pvx s TYR 87 Ca 0.03 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1pvx s TYR 87 Cb -0.15 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.17 1pvx s TYR 87 CO 0.00 0.29 0.01 0.71 -1.52 0.00 0.00 175.55 175.05 1pvx s TYR 88 N -1.34 0.24 -0.41 -3.49 1.51 -0.27 -2.43 117.35 111.16 1pvx s TYR 88 Ca 0.11 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1pvx s TYR 88 Cb -0.09 -0.40 0.11 0.00 -0.11 0.00 0.00 41.96 41.47 1pvx s TYR 88 CO 0.06 -0.14 0.18 0.42 -1.11 0.00 0.00 175.55 174.96 1pvx s ILE 89 N 1.20 3.01 -0.33 2.71 1.01 0.46 -1.07 121.20 128.19 1pvx s ILE 89 Ca -0.07 -2.23 -0.18 0.00 0.00 0.00 0.00 60.65 58.16 1pvx s ILE 89 Cb -0.13 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1pvx s ILE 89 CO -0.02 -0.68 0.51 -0.69 0.00 0.00 0.00 174.94 174.06 1pvx s VAL 90 N 0.96 5.03 -0.13 2.92 1.01 -0.01 -0.90 120.40 129.28 1pvx s VAL 90 Ca 0.10 0.44 0.19 0.00 0.00 0.00 0.00 61.98 62.71 1pvx s VAL 90 Cb -0.22 -3.94 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1pvx s VAL 90 CO -0.05 -0.16 0.67 -0.62 0.00 0.00 0.00 175.10 174.94 1pvx n GLU 91 N 5.71 0.64 -3.58 2.72 -0.58 -0.14 -0.91 120.64 124.50 1pvx n GLU 91 Ca -0.05 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 1pvx n GLU 91 Cb 0.49 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.60 1pvx n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1pvx s ASN 92 N -5.43 -0.43 0.17 1.62 3.84 -1.11 -1.63 114.94 111.98 1pvx s ASN 92 Ca -0.05 0.15 -0.22 0.00 0.21 0.00 0.00 52.86 52.95 1pvx s ASN 92 Cb 0.09 0.49 0.06 0.00 -0.55 0.00 0.00 41.25 41.35 1pvx s ASN 92 CO 0.83 -0.73 0.60 0.72 -2.79 0.00 0.00 177.10 175.73 1pvx s PHE 93 N -2.52 -0.45 0.00 0.43 -0.12 -1.26 -1.23 117.98 112.82 1pvx s PHE 93 Ca -0.05 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 1pvx s PHE 93 Cb -0.01 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1pvx s PHE 93 CO -0.02 -0.89 0.00 0.41 -0.05 0.00 0.00 175.22 174.67 1pvx n GLY 94 N -0.38 0.80 0.15 1.99 0.00 -0.50 -4.93 105.19 102.32 1pvx n GLY 94 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 1pvx n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pvx h SER 95 N 0.00 0.14 -4.35 1.61 4.64 -1.81 -3.45 113.55 110.33 1pvx h SER 95 Ca 0.00 -0.08 -0.46 0.00 -0.47 0.00 0.00 61.79 60.79 1pvx h SER 95 Cb 0.00 -0.04 -0.24 0.00 -0.31 0.00 0.00 62.40 61.82 1pvx h SER 95 CO 0.00 0.70 -0.80 -0.55 -0.87 0.00 0.00 176.83 175.32 1pvx s SER 96 N -6.88 1.82 -0.18 4.97 0.15 -1.26 -5.04 113.70 107.28 1pvx s SER 96 Ca -0.03 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.80 1pvx s SER 96 Cb 0.12 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1pvx s SER 96 CO 0.78 0.01 1.18 0.21 1.20 0.00 0.00 173.24 176.62 1pvx s ASN 97 N -1.39 7.01 0.37 5.45 3.84 -1.26 -4.79 114.94 124.17 1pvx s ASN 97 Ca 0.01 1.60 0.27 0.00 0.21 0.00 0.00 52.86 54.96 1pvx s ASN 97 Cb -0.09 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.33 1pvx s ASN 97 CO 0.02 -0.71 1.82 1.55 -2.79 0.00 0.00 177.10 176.99 1pvx h PRO 98 N 7.89 0.00 -0.61 0.43 0.13 -1.99 -2.56 132.00 135.28 1pvx h PRO 98 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pvx h PRO 98 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pvx h PRO 98 CO 0.96 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.60 1pvx n SER 99 N -2.50 3.35 0.28 1.44 3.41 -1.26 -4.58 113.62 113.75 1pvx n SER 99 Ca 0.00 -1.99 0.12 0.00 -0.26 0.00 0.00 58.87 56.74 1pvx n SER 99 Cb 0.18 -0.41 0.79 0.00 -0.26 0.00 0.00 64.21 64.52 1pvx n SER 99 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1pvx h SER 100 N 3.70 0.00 -0.70 4.04 4.64 -1.86 -0.30 113.55 123.06 1pvx h SER 100 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1pvx h SER 100 Cb 0.84 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.72 1pvx h SER 100 CO 0.00 0.04 0.47 0.61 -0.87 0.00 0.00 176.83 177.08 1pvx n GLY 101 N -1.22 3.81 3.52 -0.77 0.00 -1.26 -4.95 105.19 104.32 1pvx n GLY 101 Ca -0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1pvx n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvx s SER 102 N -0.62 3.57 -0.07 1.61 1.04 -0.13 -4.91 113.70 114.20 1pvx s SER 102 Ca 0.40 -1.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1pvx s SER 102 Cb 0.34 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1pvx s SER 102 CO 0.07 -0.19 1.26 -0.89 0.98 0.00 0.00 173.24 174.47 1pvx s THR 103 N -2.66 4.15 0.07 2.02 2.01 0.00 -4.81 115.64 116.42 1pvx s THR 103 Ca 0.32 1.47 -0.31 0.00 0.31 0.00 0.00 61.69 63.48 1pvx s THR 103 Cb 0.02 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 1pvx s THR 103 CO 0.16 -0.03 1.47 -0.62 -0.69 0.00 0.00 174.62 174.91 1pvx s ASP 104 N 1.68 6.76 -0.05 3.53 -1.08 -1.26 -1.78 116.67 124.47 1pvx s ASP 104 Ca 0.57 2.32 0.09 0.00 -0.52 0.00 0.00 52.55 55.01 1pvx s ASP 104 Cb -0.25 -2.57 0.21 0.00 -1.46 0.00 0.00 42.92 38.85 1pvx s ASP 104 CO 0.21 -0.75 1.16 0.18 0.52 0.00 0.00 175.17 176.49 1pvx n LEU 105 N 4.87 2.58 0.00 -1.34 4.77 -0.21 -4.97 117.00 122.70 1pvx n LEU 105 Ca 0.13 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 1pvx n LEU 105 Cb 0.42 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1pvx n LEU 105 CO 0.60 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 1pvx n GLY 106 N -0.41 -1.69 3.36 -0.72 0.00 -1.25 -4.83 105.19 99.64 1pvx n GLY 106 Ca 0.09 -2.04 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 1pvx n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pvx s THR 107 N 0.00 1.36 0.02 2.61 -4.23 -1.26 -0.86 115.64 113.28 1pvx s THR 107 Ca 0.00 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1pvx s THR 107 Cb 0.00 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 1pvx s THR 107 CO 0.00 -0.41 0.12 0.54 -0.54 0.00 0.00 174.62 174.33 1pvx s VAL 108 N -3.20 0.10 -0.27 2.29 0.11 -0.57 -4.94 120.40 113.92 1pvx s VAL 108 Ca 0.26 -0.83 -0.09 0.00 -2.93 0.00 0.00 61.98 58.39 1pvx s VAL 108 Cb 0.04 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1pvx s VAL 108 CO 0.08 -0.46 0.12 -0.44 -3.33 0.00 0.00 175.10 171.07 1pvx s SER 109 N -1.66 5.46 -0.03 3.54 0.01 -1.26 -0.51 113.70 119.25 1pvx s SER 109 Ca -0.11 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 1pvx s SER 109 Cb -0.05 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.21 1pvx s SER 109 CO -0.01 -0.06 0.06 0.00 0.41 0.00 0.00 173.24 173.63 1pvx n ASP 111 N 3.89 -0.49 -0.00 0.00 8.00 -1.26 -2.22 116.55 124.48 1pvx n ASP 111 Ca -0.23 -1.03 -0.00 0.00 0.71 0.00 0.00 54.79 54.23 1pvx n ASP 111 Cb 0.53 -2.90 -0.00 0.00 -0.02 0.00 0.00 41.12 38.73 1pvx n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pvx n GLY 112 N -1.99 0.46 3.32 0.44 0.00 -1.26 -5.02 105.19 101.14 1pvx n GLY 112 Ca -0.28 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1pvx n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pvx s SER 113 N -2.35 -0.26 0.33 1.61 0.15 -0.94 -5.02 113.70 107.22 1pvx s SER 113 Ca 0.00 -0.14 -0.27 0.00 0.70 0.00 0.00 55.95 56.24 1pvx s SER 113 Cb 0.00 0.45 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1pvx s SER 113 CO 0.00 -0.75 1.04 -0.89 1.20 0.00 0.00 173.24 173.84 1pvx s THR 114 N -3.09 3.73 -0.04 6.45 2.01 -1.26 -1.07 115.64 122.36 1pvx s THR 114 Ca -0.01 1.51 0.06 0.00 0.31 0.00 0.00 61.69 63.56 1pvx s THR 114 Cb 0.00 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1pvx s THR 114 CO -0.07 0.19 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.52 1pvx s TYR 115 N -1.44 2.11 -0.11 4.92 1.51 0.33 -1.27 117.35 123.40 1pvx s TYR 115 Ca 0.51 -0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 55.82 1pvx s TYR 115 Cb -0.25 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1pvx s TYR 115 CO 0.32 -0.16 0.47 0.99 -1.11 0.00 0.00 175.55 176.07 1pvx s THR 116 N -0.19 5.18 0.04 -0.71 2.01 -0.19 -1.51 115.64 120.26 1pvx s THR 116 Ca -0.01 0.95 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 1pvx s THR 116 Cb -0.12 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1pvx s THR 116 CO 0.02 0.34 0.27 -0.76 -0.69 0.00 0.00 174.62 173.80 1pvx s LEU 117 N 0.53 4.35 0.13 4.42 1.43 -0.04 -0.72 118.68 128.78 1pvx s LEU 117 Ca 0.26 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1pvx s LEU 117 Cb -0.15 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.31 1pvx s LEU 117 CO 0.10 0.21 0.56 -0.83 0.23 0.00 0.00 176.35 176.62 1pvx s GLY 118 N -1.98 -0.54 -0.00 -3.19 0.00 -0.44 -1.04 107.32 100.13 1pvx s GLY 118 Ca 0.31 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1pvx s GLY 118 CO 0.20 0.13 -0.00 1.62 0.00 0.00 0.00 173.10 175.04 1pvx s GLN 119 N -3.52 0.04 0.17 2.90 0.74 -0.73 -0.30 119.66 118.96 1pvx s GLN 119 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 1pvx s GLN 119 Cb -0.00 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1pvx s GLN 119 CO -0.11 0.01 0.12 -1.54 -0.55 0.00 0.00 175.29 173.22 1pvx s SER 120 N 0.02 0.21 -0.03 6.67 1.04 -0.73 -0.82 113.70 120.06 1pvx s SER 120 Ca -0.00 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.21 1pvx s SER 120 Cb -0.01 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1pvx s SER 120 CO -0.00 -0.80 -0.15 -0.89 0.98 0.00 0.00 173.24 172.38 1pvx s THR 121 N -4.09 1.22 -0.17 2.02 2.01 -1.26 -0.09 115.64 115.26 1pvx s THR 121 Ca 0.31 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1pvx s THR 121 Cb 0.07 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1pvx s THR 121 CO 0.07 0.35 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.16 1pvx s ARG 122 N -0.10 3.52 -0.16 4.92 0.52 -0.19 -4.98 118.95 122.47 1pvx s ARG 122 Ca 0.01 -0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1pvx s ARG 122 Cb -0.09 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1pvx s ARG 122 CO 0.01 0.08 0.11 0.71 0.02 0.00 0.00 175.30 176.22 1pvx s TYR 123 N 0.76 3.41 -1.29 -0.53 1.51 -1.26 -1.52 117.35 118.43 1pvx s TYR 123 Ca -0.02 0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 56.21 1pvx s TYR 123 Cb -0.15 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1pvx s TYR 123 CO 0.02 0.41 0.56 0.09 -1.11 0.00 0.00 175.55 175.52 1pvx n ASN 124 N 2.95 -2.72 -4.37 2.29 3.02 -0.97 -4.92 115.26 110.55 1pvx n ASN 124 Ca -0.18 -1.10 -0.20 0.00 -0.03 0.00 0.00 54.58 53.07 1pvx n ASN 124 Cb 0.53 -2.73 -0.10 0.00 -0.61 0.00 0.00 39.78 36.86 1pvx n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pvx s ALA 125 N -3.74 2.18 0.12 5.41 0.00 0.08 -4.70 121.76 121.10 1pvx s ALA 125 Ca 0.27 -1.67 -0.35 0.00 0.00 0.00 0.00 51.96 50.21 1pvx s ALA 125 Cb -0.12 -0.15 -0.16 0.00 0.00 0.00 0.00 23.12 22.69 1pvx s ALA 125 CO 0.91 0.16 1.26 -2.30 0.00 0.00 0.00 175.76 175.78 1pvx n PRO 126 N -0.27 1.12 -3.39 0.00 -0.02 -1.26 -1.36 135.00 129.81 1pvx n PRO 126 Ca -0.09 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1pvx n PRO 126 Cb 0.59 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1pvx n PRO 126 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pvx n SER 127 N 2.29 -1.00 0.32 2.55 3.41 -0.76 -4.88 113.62 115.55 1pvx n SER 127 Ca 0.17 -2.43 0.21 0.00 -0.26 0.00 0.00 58.87 56.56 1pvx n SER 127 Cb 0.21 1.88 1.07 0.00 -0.26 0.00 0.00 64.21 67.11 1pvx n SER 127 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1pvx h ILE 128 N 1.76 0.05 -0.74 -1.33 3.07 -2.01 -2.45 117.51 115.87 1pvx h ILE 128 Ca -0.20 -0.14 -0.53 0.00 1.55 0.00 0.00 64.86 65.54 1pvx h ILE 128 Cb 0.89 1.13 -0.37 0.00 -0.27 0.00 0.00 36.82 38.20 1pvx h ILE 128 CO 0.28 0.01 -0.49 0.47 -1.05 0.00 0.00 178.15 177.36 1pvx n ASP 129 N -3.14 5.12 -0.01 2.16 8.00 -1.26 -5.10 116.55 122.32 1pvx n ASP 129 Ca -0.02 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.71 1pvx n ASP 129 Cb 0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1pvx n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pvx n GLY 130 N -0.78 -1.48 3.64 0.44 0.00 -0.92 -4.74 105.19 101.34 1pvx n GLY 130 Ca 0.45 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1pvx n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pvx s THR 131 N 0.00 3.63 0.26 2.61 2.01 -1.26 -1.83 115.64 121.06 1pvx s THR 131 Ca 0.00 0.73 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 1pvx s THR 131 Cb 0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1pvx s THR 131 CO 0.00 -0.18 0.37 -1.10 -0.69 0.00 0.00 174.62 173.02 1pvx s GLN 132 N 4.46 1.54 -0.15 4.92 -1.52 -0.46 -4.81 119.66 123.64 1pvx s GLN 132 Ca 0.73 -1.51 -0.05 0.00 -1.95 0.00 0.00 55.36 52.59 1pvx s GLN 132 Cb -0.29 0.40 -0.03 0.00 -0.22 0.00 0.00 33.01 32.87 1pvx s GLN 132 CO 0.29 -0.61 0.02 0.99 -0.25 0.00 0.00 175.29 175.73 1pvx s THR 133 N -3.80 4.39 0.09 -0.19 2.01 -1.26 -0.74 115.64 116.14 1pvx s THR 133 Ca 0.30 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 1pvx s THR 133 Cb 0.02 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.63 1pvx s THR 133 CO 0.13 0.52 0.36 0.72 -0.69 0.00 0.00 174.62 175.66 1pvx s PHE 134 N -0.01 -0.16 0.23 4.92 -0.71 -0.58 -4.90 117.98 116.77 1pvx s PHE 134 Ca 0.04 -0.09 -0.06 0.00 -1.04 0.00 0.00 56.93 55.77 1pvx s PHE 134 Cb -0.13 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1pvx s PHE 134 CO 0.02 -0.63 0.50 -0.80 -1.34 0.00 0.00 175.22 172.96 1pvx s ASN 135 N -2.55 6.51 -0.08 1.98 0.01 -1.08 -1.02 114.94 118.72 1pvx s ASN 135 Ca 0.01 0.73 0.05 0.00 -0.71 0.00 0.00 52.86 52.94 1pvx s ASN 135 Cb 0.01 -2.15 -0.00 0.00 0.41 0.00 0.00 41.25 39.52 1pvx s ASN 135 CO -0.09 -0.08 -0.24 -1.10 -1.51 0.00 0.00 177.10 174.08 1pvx s GLN 136 N -3.06 2.73 -0.10 -0.60 -0.21 0.87 -1.32 119.66 117.97 1pvx s GLN 136 Ca 0.44 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.93 1pvx s GLN 136 Cb -0.11 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 1pvx s GLN 136 CO 0.26 0.28 -0.04 0.71 -2.12 0.00 0.00 175.29 174.37 1pvx s TYR 137 N 0.09 3.03 -0.02 0.91 2.02 -0.57 -1.77 117.35 121.04 1pvx s TYR 137 Ca -0.11 -0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1pvx s TYR 137 Cb -0.16 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1pvx s TYR 137 CO 0.06 0.24 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.51 1pvx s TRP 138 N -0.42 1.81 -0.19 2.71 0.52 0.59 -1.12 118.94 122.84 1pvx s TRP 138 Ca 0.07 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.75 1pvx s TRP 138 Cb -0.12 -1.18 0.06 0.00 -1.15 0.00 0.00 33.47 31.08 1pvx s TRP 138 CO 0.02 -0.08 0.06 0.45 0.02 0.00 0.00 176.95 177.43 1pvx s SER 139 N -0.33 2.76 -0.20 2.95 0.15 -0.24 -1.33 113.70 117.47 1pvx s SER 139 Ca 0.04 -0.79 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 1pvx s SER 139 Cb -0.09 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1pvx s SER 139 CO 0.00 -0.33 -0.11 -0.69 1.20 0.00 0.00 173.24 173.31 1pvx s VAL 140 N 1.97 2.82 0.18 4.45 1.01 0.10 -0.83 120.40 130.10 1pvx s VAL 140 Ca 0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1pvx s VAL 140 Cb -0.17 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 1pvx s VAL 140 CO -0.10 0.47 1.44 -0.60 0.00 0.00 0.00 175.10 176.31 1pvx s ARG 141 N 1.37 4.29 0.12 2.72 3.52 -0.09 -1.03 118.95 129.85 1pvx s ARG 141 Ca 0.05 2.21 0.06 0.00 -0.13 0.00 0.00 55.73 57.92 1pvx s ARG 141 Cb -0.14 -3.17 -0.19 0.00 -1.56 0.00 0.00 34.95 29.88 1pvx s ARG 141 CO -0.07 -0.44 1.28 1.96 -0.81 0.00 0.00 175.30 177.21 1pvx h GLN 142 N 6.04 0.03 -4.04 5.12 1.08 -1.52 -3.39 115.11 118.43 1pvx h GLN 142 Ca -0.44 -0.05 -0.73 0.00 -1.45 0.00 0.00 58.65 55.98 1pvx h GLN 142 Cb 1.21 0.02 -0.30 0.00 -0.05 0.00 0.00 27.48 28.36 1pvx h GLN 142 CO 0.84 1.01 -0.28 -0.51 -0.95 0.00 0.00 178.83 178.93 1pvx s ASP 143 N -6.76 5.83 0.40 1.46 1.01 -1.26 -5.06 116.67 112.28 1pvx s ASP 143 Ca 0.00 -2.27 -0.26 0.00 0.71 0.00 0.00 52.55 50.73 1pvx s ASP 143 Cb 0.10 -2.02 -0.10 0.00 1.01 0.00 0.00 42.92 41.90 1pvx s ASP 143 CO 0.82 -0.61 1.33 0.29 0.21 0.00 0.00 175.17 177.22 1pvx n LYS 144 N 4.42 2.14 -3.79 8.23 5.02 -1.26 -5.01 118.16 127.91 1pvx n LYS 144 Ca -0.00 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 1pvx n LYS 144 Cb 0.41 -2.44 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 1pvx n LYS 144 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1pvx s ARG 145 N -2.13 1.14 0.00 1.97 1.70 -0.65 -5.02 118.95 115.97 1pvx s ARG 145 Ca 0.58 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.96 1pvx s ARG 145 Cb -0.51 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.38 1pvx s ARG 145 CO 0.60 -0.44 0.84 0.43 -1.08 0.00 0.00 175.30 175.65 1pvx n SER 146 N -0.23 1.80 -3.67 -2.89 7.64 -1.26 -4.21 113.62 110.81 1pvx n SER 146 Ca -0.12 -1.53 -0.15 0.00 1.01 0.00 0.00 58.87 58.08 1pvx n SER 146 Cb 0.63 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 1pvx n SER 146 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pvx s SER 147 N -0.64 -0.44 0.00 6.43 1.04 -1.26 -3.70 113.70 115.13 1pvx s SER 147 Ca 0.07 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1pvx s SER 147 Cb 0.04 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1pvx s SER 147 CO 0.06 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1pvx n GLY 148 N 1.66 -0.58 3.35 7.32 0.00 -0.34 -4.99 105.19 111.61 1pvx n GLY 148 Ca -0.18 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 1pvx n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pvx s THR 149 N -2.73 2.51 -0.24 2.61 2.01 -1.26 -1.57 115.64 116.96 1pvx s THR 149 Ca 0.00 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1pvx s THR 149 Cb 0.00 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 1pvx s THR 149 CO 0.00 0.57 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.81 1pvx s VAL 150 N -0.27 3.58 -0.69 3.82 1.01 0.38 -4.89 120.40 123.35 1pvx s VAL 150 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1pvx s VAL 150 Cb -0.13 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.64 1pvx s VAL 150 CO 0.03 0.32 0.90 -1.10 0.00 0.00 0.00 175.10 175.25 1pvx s GLN 151 N 1.49 3.18 0.53 2.72 -0.21 -1.26 -0.78 119.66 125.34 1pvx s GLN 151 Ca 0.05 -1.19 0.20 0.00 0.02 0.00 0.00 55.36 54.43 1pvx s GLN 151 Cb -0.15 -4.36 1.38 0.00 1.00 0.00 0.00 33.01 30.87 1pvx s GLN 151 CO -0.01 -1.71 2.13 1.79 -2.12 0.00 0.00 175.29 175.37 1pvx h THR 152 N 5.91 0.87 0.00 -0.19 1.35 -1.54 -1.71 112.91 117.59 1pvx h THR 152 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1pvx h THR 152 Cb 1.07 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1pvx h THR 152 CO 1.13 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 177.63 1pvx h GLY 153 N 0.00 0.00 1.35 5.82 0.00 -1.73 -1.61 103.07 106.91 1pvx h GLY 153 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1pvx h GLY 153 CO -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 1pvx h HIS 155 N 0.62 0.50 -0.20 0.00 3.86 -1.47 -2.80 115.15 115.66 1pvx h HIS 155 Ca 0.07 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.91 1pvx h HIS 155 Cb 0.83 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1pvx h HIS 155 CO 0.04 1.20 -0.08 0.74 0.86 0.00 0.00 177.93 180.69 1pvx h PHE 156 N -0.33 0.33 -0.18 2.45 -1.00 -1.29 -1.25 116.94 115.67 1pvx h PHE 156 Ca -0.10 -0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.48 1pvx h PHE 156 Cb 1.42 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 1pvx h PHE 156 CO 0.18 0.40 -0.60 -0.44 -1.61 0.00 0.00 178.31 176.25 1pvx h ASP 157 N 0.30 0.67 -0.38 2.17 3.32 -1.43 -0.95 116.42 120.12 1pvx h ASP 157 Ca 0.06 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 1pvx h ASP 157 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1pvx h ASP 157 CO 0.02 1.11 0.09 0.00 -1.72 0.00 0.00 179.24 178.74 1pvx h ALA 158 N 0.90 0.50 -0.88 3.45 0.00 -1.16 -0.48 119.26 121.58 1pvx h ALA 158 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1pvx h ALA 158 Cb 1.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1pvx h ALA 158 CO 0.11 0.18 0.51 -1.49 0.00 0.00 0.00 179.25 178.56 1pvx h TRP 159 N 0.47 1.18 -0.34 0.00 6.55 -1.10 -1.84 115.95 120.86 1pvx h TRP 159 Ca 0.12 -0.01 -0.13 0.00 0.95 0.00 0.00 58.89 59.81 1pvx h TRP 159 Cb 0.31 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 1pvx h TRP 159 CO 0.02 0.80 -0.32 0.00 -1.05 0.00 0.00 178.44 177.88 1pvx h ALA 160 N 1.34 0.79 0.00 1.49 0.00 -0.88 -1.49 119.26 120.51 1pvx h ALA 160 Ca 0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pvx h ALA 160 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pvx h ALA 160 CO -0.06 0.65 -0.22 0.77 0.00 0.00 0.00 179.25 180.39 1pvx h SER 161 N 0.64 0.00 0.05 0.00 0.02 -0.94 -2.06 113.55 111.26 1pvx h SER 161 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1pvx h SER 161 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1pvx h SER 161 CO 0.07 0.22 -0.01 0.00 -1.14 0.00 0.00 176.83 175.98 1pvx n ALA 162 N -2.25 2.66 0.00 3.77 0.00 -0.71 -4.91 120.51 119.07 1pvx n ALA 162 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1pvx n ALA 162 Cb 0.39 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1pvx n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pvx n GLY 163 N 1.09 0.52 3.86 0.00 0.00 -0.77 -5.07 105.19 104.82 1pvx n GLY 163 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1pvx n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pvx s LEU 164 N 0.00 3.84 -0.09 0.99 1.43 -0.59 -5.00 118.68 119.26 1pvx s LEU 164 Ca 0.00 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 1pvx s LEU 164 Cb 0.00 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 1pvx s LEU 164 CO 0.00 -0.40 0.62 0.21 0.23 0.00 0.00 176.35 177.01 1pvx s ASN 165 N -2.92 6.87 -0.13 2.29 3.84 -1.26 -4.18 114.94 119.44 1pvx s ASN 165 Ca 0.54 1.05 0.15 0.00 0.21 0.00 0.00 52.86 54.81 1pvx s ASN 165 Cb -0.10 -2.37 0.37 0.00 -0.55 0.00 0.00 41.25 38.60 1pvx s ASN 165 CO 0.28 -0.08 1.18 1.33 -2.79 0.00 0.00 177.10 177.02 1pvx n VAL 166 N 3.76 1.46 -1.00 -5.21 0.24 -1.26 -4.72 118.33 111.61 1pvx n VAL 166 Ca -0.03 -2.31 0.07 0.00 -2.04 0.00 0.00 64.34 60.02 1pvx n VAL 166 Cb 0.51 0.11 0.30 0.00 -1.47 0.00 0.00 33.84 33.30 1pvx n VAL 166 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1pvx n THR 167 N -0.70 2.47 -0.94 3.34 -2.24 -1.26 -5.00 114.28 109.95 1pvx n THR 167 Ca 0.14 -1.79 -0.30 0.00 -2.27 0.00 0.00 64.05 59.83 1pvx n THR 167 Cb 0.79 -0.27 0.16 0.00 -2.10 0.00 0.00 70.33 68.91 1pvx n THR 167 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pvx s GLY 168 N -1.62 1.63 -0.33 3.38 0.00 -1.26 -4.87 107.32 104.26 1pvx s GLY 168 Ca 0.46 0.16 -0.27 0.00 0.00 0.00 0.00 44.72 45.07 1pvx s GLY 168 CO 0.11 0.65 1.00 0.99 0.00 0.00 0.00 173.10 175.85 1pvx s ASP 169 N -3.03 6.83 0.29 1.64 1.01 0.12 -4.84 116.67 118.71 1pvx s ASP 169 Ca 0.65 0.88 -0.29 0.00 0.71 0.00 0.00 52.55 54.50 1pvx s ASP 169 Cb -0.21 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.12 1pvx s ASP 169 CO 0.59 -0.84 1.23 -1.00 0.21 0.00 0.00 175.17 175.36 1pvx s HIS 170 N 3.51 3.27 0.00 4.23 3.76 -1.26 -1.24 115.29 127.57 1pvx s HIS 170 Ca 0.42 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.82 1pvx s HIS 170 Cb -0.12 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.04 1pvx s HIS 170 CO 0.16 -1.38 0.00 0.98 -0.85 0.00 0.00 174.74 173.65 1pvx n TYR 171 N 1.18 0.00 -1.76 1.40 9.36 0.04 -4.56 117.16 122.82 1pvx n TYR 171 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 1pvx n TYR 171 Cb 0.43 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.23 1pvx n TYR 171 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1pvx s TYR 172 N 4.63 2.96 -0.27 2.98 -0.85 -1.26 -0.90 117.35 124.65 1pvx s TYR 172 Ca 0.00 0.94 -0.01 0.00 -0.52 0.00 0.00 57.07 57.47 1pvx s TYR 172 Cb 0.00 -3.28 0.13 0.00 0.38 0.00 0.00 41.96 39.19 1pvx s TYR 172 CO 0.00 -1.70 0.29 -1.14 -1.52 0.00 0.00 175.55 171.47 1pvx s GLN 173 N -5.37 0.30 0.23 -3.49 0.74 -0.53 -2.80 119.66 108.73 1pvx s GLN 173 Ca 0.61 -0.02 0.05 0.00 0.05 0.00 0.00 55.36 56.05 1pvx s GLN 173 Cb -0.12 -0.76 -0.05 0.00 1.10 0.00 0.00 33.01 33.18 1pvx s GLN 173 CO 0.52 -0.92 -0.04 0.96 -0.55 0.00 0.00 175.29 175.26 1pvx s ILE 174 N 2.37 1.23 -0.52 -2.34 -4.36 0.30 -0.89 121.20 116.99 1pvx s ILE 174 Ca 0.09 -2.07 -0.17 0.00 -0.26 0.00 0.00 60.65 58.24 1pvx s ILE 174 Cb -0.14 -2.28 0.09 0.00 1.25 0.00 0.00 42.46 41.38 1pvx s ILE 174 CO -0.27 -0.40 0.54 -0.69 0.24 0.00 0.00 174.94 174.35 1pvx s VAL 175 N -3.29 5.06 -0.00 8.37 1.01 -0.60 -0.48 120.40 130.46 1pvx s VAL 175 Ca 0.27 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1pvx s VAL 175 Cb 0.04 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1pvx s VAL 175 CO 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 175.10 174.39 1pvx s ALA 176 N 2.07 3.37 -0.17 5.51 0.00 0.47 -3.68 121.76 129.34 1pvx s ALA 176 Ca 0.08 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1pvx s ALA 176 Cb -0.24 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1pvx s ALA 176 CO 0.07 0.66 0.01 0.99 0.00 0.00 0.00 175.76 177.48 1pvx s THR 177 N -1.11 4.31 0.02 0.00 2.01 -0.01 -1.44 115.64 119.43 1pvx s THR 177 Ca 0.20 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1pvx s THR 177 Cb -0.12 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1pvx s THR 177 CO 0.11 0.48 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.62 1pvx s GLU 178 N 0.33 1.44 0.03 4.92 -6.30 -0.50 -1.73 118.70 116.89 1pvx s GLU 178 Ca -0.01 -0.86 0.07 0.00 -2.50 0.00 0.00 54.97 51.67 1pvx s GLU 178 Cb -0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 34.13 32.47 1pvx s GLU 178 CO 0.02 0.39 -0.19 0.20 0.02 0.00 0.00 175.26 175.69 1pvx s GLY 179 N -0.95 1.03 -0.30 -1.50 0.00 -0.27 -2.37 107.32 102.96 1pvx s GLY 179 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1pvx s GLY 179 CO 0.01 -0.87 0.11 -0.47 0.00 0.00 0.00 173.10 171.88 1pvx s TYR 180 N -0.70 1.02 -1.28 1.90 5.04 -0.43 -2.08 117.35 120.83 1pvx s TYR 180 Ca 0.07 -1.31 -0.08 0.00 -2.44 0.00 0.00 57.07 53.31 1pvx s TYR 180 Cb -0.08 -1.31 -0.00 0.00 0.35 0.00 0.00 41.96 40.91 1pvx s TYR 180 CO 0.01 -0.85 0.62 1.19 -1.34 0.00 0.00 175.55 175.18 1pvx n PHE 181 N 5.05 -1.80 -3.59 4.97 3.72 0.41 -4.37 117.46 121.85 1pvx n PHE 181 Ca -0.04 0.65 -0.06 0.00 -0.05 0.00 0.00 57.45 57.94 1pvx n PHE 181 Cb 0.42 -3.74 -0.02 0.00 -0.94 0.00 0.00 39.48 35.20 1pvx n PHE 181 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1pvx s SER 182 N -4.01 -0.28 0.42 4.37 1.04 -1.26 -4.71 113.70 109.27 1pvx s SER 182 Ca 0.19 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.57 1pvx s SER 182 Cb -0.07 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1pvx s SER 182 CO 0.86 -0.65 0.58 -0.94 0.98 0.00 0.00 173.24 174.07 1pvx s SER 183 N -2.61 5.67 -0.07 7.02 1.04 -1.26 -4.19 113.70 119.30 1pvx s SER 183 Ca 0.08 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 1pvx s SER 183 Cb -0.01 -0.81 0.08 0.00 0.10 0.00 0.00 66.02 65.38 1pvx s SER 183 CO -0.05 -0.75 1.08 0.61 0.98 0.00 0.00 173.24 175.11 1pvx n GLY 184 N -1.88 0.16 3.26 7.32 0.00 -0.36 -1.44 105.19 112.24 1pvx n GLY 184 Ca 0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1pvx n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pvx s TYR 185 N -2.03 -0.33 -0.09 1.61 5.04 -0.83 -1.51 117.35 119.19 1pvx s TYR 185 Ca 0.26 0.74 -0.18 0.00 -2.44 0.00 0.00 57.07 55.45 1pvx s TYR 185 Cb -0.00 0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.48 1pvx s TYR 185 CO -0.02 -0.28 0.45 0.00 -1.34 0.00 0.00 175.55 174.36 1pvx s ALA 186 N -0.39 -1.12 -0.20 3.97 0.00 -0.30 -0.66 121.76 123.06 1pvx s ALA 186 Ca -0.05 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 1pvx s ALA 186 Cb -0.03 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1pvx s ALA 186 CO 0.02 -0.26 0.06 0.50 0.00 0.00 0.00 175.76 176.08 1pvx s ARG 187 N -0.58 0.44 0.01 0.00 3.52 -0.04 -0.96 118.95 121.33 1pvx s ARG 187 Ca -0.07 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.24 1pvx s ARG 187 Cb -0.03 -1.97 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1pvx s ARG 187 CO 0.04 -0.69 -0.18 0.42 -0.81 0.00 0.00 175.30 174.08 1pvx s ILE 188 N 1.95 1.44 -0.09 4.11 -1.09 -0.57 -0.98 121.20 125.96 1pvx s ILE 188 Ca 0.01 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.58 1pvx s ILE 188 Cb -0.17 -1.22 -0.00 0.00 -1.58 0.00 0.00 42.46 39.49 1pvx s ILE 188 CO -0.11 0.31 -0.24 -0.89 -1.23 0.00 0.00 174.94 172.78 1pvx s THR 189 N -0.56 2.04 0.28 2.92 2.01 -0.07 -1.52 115.64 120.74 1pvx s THR 189 Ca 0.06 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.16 1pvx s THR 189 Cb -0.07 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1pvx s THR 189 CO 0.00 0.56 -0.07 0.68 -0.69 0.00 0.00 174.62 175.09 1pvx s VAL 190 N 0.28 3.05 -0.01 3.82 -7.23 -0.45 -1.84 120.40 118.02 1pvx s VAL 190 Ca -0.17 -2.10 -0.27 0.00 -1.81 0.00 0.00 61.98 57.64 1pvx s VAL 190 Cb -0.17 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.18 1pvx s VAL 190 CO 0.08 -0.37 0.61 0.00 -0.31 0.00 0.00 175.10 175.10 1pvx s ALA 191 N -2.40 -1.57 -0.38 1.32 0.00 -0.32 -4.45 121.76 113.94 1pvx s ALA 191 Ca 0.31 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1pvx s ALA 191 Cb -0.06 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1pvx s ALA 191 CO 0.18 -0.41 0.42 0.34 0.00 0.00 0.00 175.76 176.29 1pvx s ASP 192 N -1.46 6.20 -0.18 0.00 -1.08 -1.26 -0.70 116.67 118.18 1pvx s ASP 192 Ca -0.09 -0.44 0.16 0.00 -0.52 0.00 0.00 52.55 51.65 1pvx s ASP 192 Cb -0.01 -2.22 0.66 0.00 -1.46 0.00 0.00 42.92 39.90 1pvx s ASP 192 CO 0.06 -0.48 1.58 1.33 0.52 0.00 0.00 175.17 178.17 1pvx n VAL 193 N 5.37 2.36 1.03 1.11 0.24 -0.54 -4.98 118.33 122.92 1pvx n VAL 193 Ca -0.08 -1.56 0.12 0.00 -2.04 0.00 0.00 64.34 60.79 1pvx n VAL 193 Cb 0.48 -0.17 0.13 0.00 -1.47 0.00 0.00 33.84 32.81 1pvx n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30