#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvu s ASP 2 N 0.00 4.23 0.56 3.17 -4.77 -1.26 -5.03 116.67 113.57 3jvu s ASP 2 Ca 0.00 -1.41 0.35 0.00 -3.30 0.00 0.00 52.55 48.19 3jvu s ASP 2 Cb 0.00 0.12 1.50 0.00 -1.09 0.00 0.00 42.92 43.45 3jvu s ASP 2 CO 0.00 -0.76 2.03 -0.29 0.70 0.00 0.00 175.17 176.85 3jvu h ILE 3 N 1.34 0.00 0.41 2.11 2.10 -2.00 -2.92 117.51 118.55 3jvu h ILE 3 Ca -0.42 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 65.06 3jvu h ILE 3 Cb 1.29 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 3jvu h ILE 3 CO 0.72 0.00 -0.20 0.74 -1.08 0.00 0.00 178.15 178.33 3jvu h THR 4 N 0.00 0.43 -0.91 2.19 2.02 -1.98 -0.09 112.91 114.56 3jvu h THR 4 Ca 0.00 -0.58 0.17 0.00 0.77 0.00 0.00 66.41 66.77 3jvu h THR 4 Cb 0.44 0.64 -0.17 0.00 -1.74 0.00 0.00 68.15 67.32 3jvu h THR 4 CO 0.00 0.08 -0.27 -0.33 0.37 0.00 0.00 175.52 175.37 3jvu h GLU 5 N -0.96 -0.01 0.63 6.66 5.08 -1.93 0.46 114.58 124.51 3jvu h GLU 5 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3jvu h GLU 5 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3jvu h GLU 5 CO 0.09 -0.01 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.54 3jvu h LEU 6 N -0.01 -1.27 -0.45 1.33 3.38 -1.45 0.04 115.31 116.88 3jvu h LEU 6 Ca 0.41 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.56 3jvu h LEU 6 Cb 0.65 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 3jvu h LEU 6 CO -0.94 -0.69 -0.20 -0.07 0.09 0.00 0.00 178.44 176.63 3jvu h LEU 7 N -1.07 -0.69 -0.56 1.67 3.38 0.43 0.36 115.31 118.82 3jvu h LEU 7 Ca -0.08 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3jvu h LEU 7 Cb 0.90 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.93 3jvu h LEU 7 CO 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.31 3jvu h ALA 8 N 1.22 0.53 -0.79 1.53 0.00 0.03 -1.06 119.26 120.73 3jvu h ALA 8 Ca 0.22 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3jvu h ALA 8 Cb 0.44 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3jvu h ALA 8 CO -0.52 -0.39 0.36 0.35 0.00 0.00 0.00 179.25 179.05 3jvu h PHE 9 N 0.11 1.14 -0.05 0.00 3.04 0.16 -1.48 116.94 119.87 3jvu h PHE 9 Ca 0.29 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.22 3jvu h PHE 9 Cb 0.45 -0.35 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 3jvu h PHE 9 CO -0.35 0.84 -0.32 0.77 -2.02 0.00 0.00 178.31 177.22 3jvu h SER 10 N 1.12 -0.97 -0.02 0.41 0.02 0.35 -1.76 113.55 112.71 3jvu h SER 10 Ca 0.27 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.38 3jvu h SER 10 Cb 0.14 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3jvu h SER 10 CO -0.03 -0.37 -0.16 0.00 -1.14 0.00 0.00 176.83 175.12 3jvu h ALA 11 N 0.32 -0.18 -0.02 3.77 0.00 -0.74 0.33 119.26 122.75 3jvu h ALA 11 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jvu h ALA 11 Cb 0.55 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3jvu h ALA 11 CO -0.29 -0.65 0.35 -0.22 0.00 0.00 0.00 179.25 178.44 3jvu h LYS 12 N -0.26 0.00 -0.02 0.00 3.64 -0.99 0.42 116.57 119.37 3jvu h LYS 12 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3jvu h LYS 12 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3jvu h LYS 12 CO -0.17 0.00 -0.26 1.04 -2.27 0.00 0.00 179.45 177.79 3jvu n GLN 13 N -2.91 1.61 -1.26 1.90 1.13 0.10 -4.93 117.38 113.04 3jvu n GLN 13 Ca -0.02 -1.30 -0.09 0.00 -1.94 0.00 0.00 57.00 53.66 3jvu n GLN 13 Cb 0.40 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 3jvu n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jvu n GLY 14 N 1.38 1.05 3.76 1.08 0.00 0.15 -4.98 105.19 107.63 3jvu n GLY 14 Ca 0.12 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3jvu n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvu s ALA 15 N -2.30 3.60 0.04 4.61 0.00 -0.49 -4.71 121.76 122.52 3jvu s ALA 15 Ca 0.00 1.40 0.10 0.00 0.00 0.00 0.00 51.96 53.46 3jvu s ALA 15 Cb 0.00 -3.56 -0.22 0.00 0.00 0.00 0.00 23.12 19.34 3jvu s ALA 15 CO 0.00 -0.82 1.00 0.66 0.00 0.00 0.00 175.76 176.60 3jvu h SER 16 N 4.18 0.00 -4.47 0.00 4.64 -1.23 -3.43 113.55 113.24 3jvu h SER 16 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 3jvu h SER 16 Cb 1.22 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.08 3jvu h SER 16 CO 0.72 0.99 -0.73 -1.81 -0.87 0.00 0.00 176.83 175.14 3jvu s ASP 17 N -6.42 0.46 -0.13 4.97 1.01 -1.22 -1.83 116.67 113.52 3jvu s ASP 17 Ca -0.02 -0.34 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 3jvu s ASP 17 Cb 0.09 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 44.03 3jvu s ASP 17 CO 0.82 -0.14 -0.08 -0.22 0.21 0.00 0.00 175.17 175.76 3jvu s LEU 18 N -0.96 3.01 -0.16 1.23 2.96 0.87 -0.99 118.68 124.64 3jvu s LEU 18 Ca -0.08 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3jvu s LEU 18 Cb -0.07 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 3jvu s LEU 18 CO -0.00 0.21 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.09 3jvu s HIS 19 N 0.12 2.80 -0.15 5.38 3.76 0.11 0.18 115.29 127.48 3jvu s HIS 19 Ca -0.03 -1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 53.83 3jvu s HIS 19 Cb -0.14 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 3jvu s HIS 19 CO 0.04 -0.47 -0.05 -0.51 -0.85 0.00 0.00 174.74 172.90 3jvu s LEU 20 N 0.83 3.16 -0.17 0.89 1.02 0.26 -2.12 118.68 122.55 3jvu s LEU 20 Ca -0.05 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.89 3jvu s LEU 20 Cb -0.15 -1.76 0.08 0.00 0.02 0.00 0.00 46.19 44.38 3jvu s LEU 20 CO -0.00 0.16 0.17 -0.55 0.02 0.00 0.00 176.35 176.15 3jvu s SER 21 N 0.40 1.52 -0.36 2.29 0.15 -1.26 -0.75 113.70 115.70 3jvu s SER 21 Ca -0.05 -0.23 -0.43 0.00 0.70 0.00 0.00 55.95 55.94 3jvu s SER 21 Cb -0.14 0.19 -0.18 0.00 -1.71 0.00 0.00 66.02 64.18 3jvu s SER 21 CO 0.03 -0.32 1.63 0.00 1.20 0.00 0.00 173.24 175.78 3jvu n ALA 22 N 5.31 -0.94 0.00 5.45 0.00 -0.45 -0.54 120.51 129.34 3jvu n ALA 22 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3jvu n ALA 22 Cb 0.49 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3jvu n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvu n GLY 23 N 3.91 1.13 3.06 0.00 0.00 0.17 -4.62 105.19 108.85 3jvu n GLY 23 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3jvu n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jvu s LEU 24 N 0.00 2.31 0.76 0.99 1.43 0.30 -4.70 118.68 119.78 3jvu s LEU 24 Ca 0.00 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3jvu s LEU 24 Cb 0.00 -0.06 0.06 0.00 0.03 0.00 0.00 46.19 46.22 3jvu s LEU 24 CO 0.00 -0.30 1.20 -2.16 0.23 0.00 0.00 176.35 175.32 3jvu s PRO 25 N -2.08 1.95 0.45 1.29 0.04 -1.26 -1.83 135.00 133.56 3jvu s PRO 25 Ca -0.07 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 3jvu s PRO 25 Cb -0.06 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 3jvu s PRO 25 CO -0.02 -1.98 0.96 -0.35 0.04 0.00 0.00 177.00 175.65 3jvu n PRO 26 N -2.99 1.20 -4.12 0.56 -0.04 -1.26 -4.74 135.00 123.61 3jvu n PRO 26 Ca 0.13 0.44 -0.15 0.00 -0.04 0.00 0.00 63.50 63.88 3jvu n PRO 26 Cb 0.50 -2.02 -0.11 0.00 -0.04 0.00 0.00 33.50 31.83 3jvu n PRO 26 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3jvu s MET 27 N -2.11 0.69 0.10 0.54 -1.94 -0.90 -0.32 119.30 115.36 3jvu s MET 27 Ca 0.65 -0.90 0.10 0.00 -1.71 0.00 0.00 55.69 53.82 3jvu s MET 27 Cb -0.53 -0.53 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 3jvu s MET 27 CO 0.55 0.10 -0.25 0.96 -0.01 0.00 0.00 175.02 176.38 3jvu s ILE 28 N -1.54 2.03 -0.27 2.53 -4.36 -0.58 0.09 121.20 119.11 3jvu s ILE 28 Ca -0.04 -1.57 -0.17 0.00 -0.26 0.00 0.00 60.65 58.61 3jvu s ILE 28 Cb -0.09 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 3jvu s ILE 28 CO 0.01 0.12 0.46 -0.60 0.24 0.00 0.00 174.94 175.17 3jvu s ARG 29 N -1.75 4.03 -0.06 0.37 3.52 -0.16 -0.36 118.95 124.54 3jvu s ARG 29 Ca 0.11 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.93 3jvu s ARG 29 Cb -0.10 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 3jvu s ARG 29 CO 0.04 -0.34 -0.13 0.08 -0.81 0.00 0.00 175.30 174.14 3jvu s VAL 30 N 2.22 1.20 -1.30 7.11 1.01 0.47 -0.66 120.40 130.45 3jvu s VAL 30 Ca 0.19 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3jvu s VAL 30 Cb -0.16 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3jvu s VAL 30 CO 0.10 0.36 0.45 0.47 0.00 0.00 0.00 175.10 176.48 3jvu n ASP 31 N 3.58 -4.15 0.00 3.32 8.00 -1.26 -0.93 116.55 125.11 3jvu n ASP 31 Ca -0.21 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 54.99 3jvu n ASP 31 Cb 0.52 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 3jvu n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jvu n GLY 32 N -1.19 2.92 3.86 0.44 0.00 -1.26 -5.03 105.19 104.93 3jvu n GLY 32 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3jvu n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jvu s ASP 33 N -1.39 6.69 -0.19 1.61 1.01 -0.11 -5.02 116.67 119.27 3jvu s ASP 33 Ca 0.00 1.01 -0.04 0.00 0.71 0.00 0.00 52.55 54.23 3jvu s ASP 33 Cb 0.00 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 3jvu s ASP 33 CO 0.00 -0.06 -0.04 -0.69 0.21 0.00 0.00 175.17 174.60 3jvu s VAL 34 N -1.77 3.63 -0.02 -1.27 1.01 -1.26 0.18 120.40 120.90 3jvu s VAL 34 Ca 0.46 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3jvu s VAL 34 Cb -0.12 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3jvu s VAL 34 CO 0.20 0.44 0.11 -0.13 0.00 0.00 0.00 175.10 175.73 3jvu s ARG 35 N 1.03 0.27 0.33 2.72 0.52 0.52 -4.92 118.95 119.42 3jvu s ARG 35 Ca 0.01 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 54.84 3jvu s ARG 35 Cb -0.15 0.12 -0.10 0.00 0.52 0.00 0.00 34.95 35.34 3jvu s ARG 35 CO 0.01 -0.05 1.26 1.03 0.02 0.00 0.00 175.30 177.57 3jvu s ARG 36 N -0.57 4.35 0.55 3.54 0.52 -1.26 -1.52 118.95 124.55 3jvu s ARG 36 Ca -0.07 2.12 -0.16 0.00 -0.52 0.00 0.00 55.73 57.10 3jvu s ARG 36 Cb -0.04 -3.04 -0.06 0.00 0.52 0.00 0.00 34.95 32.33 3jvu s ARG 36 CO 0.00 -0.16 1.01 0.42 0.02 0.00 0.00 175.30 176.60 3jvu s ILE 37 N -1.17 4.31 -1.37 1.52 1.01 0.57 -4.90 121.20 121.15 3jvu s ILE 37 Ca 0.49 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 62.07 3jvu s ILE 37 Cb -0.38 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.55 3jvu s ILE 37 CO 0.50 -0.66 1.99 -3.20 0.00 0.00 0.00 174.94 173.56 3jvu n ASN 38 N -1.82 4.43 -4.09 3.58 5.15 -1.26 -4.78 115.26 116.47 3jvu n ASN 38 Ca 0.07 -2.91 -0.07 0.00 -0.60 0.00 0.00 54.58 51.07 3jvu n ASN 38 Cb 0.54 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.03 3jvu n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3jvu s LEU 39 N 2.47 2.34 0.61 1.20 1.43 -1.26 -5.15 118.68 120.31 3jvu s LEU 39 Ca 0.48 -1.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 3jvu s LEU 39 Cb 0.09 0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.55 3jvu s LEU 39 CO -0.02 -0.62 1.11 -2.84 0.23 0.00 0.00 176.35 174.20 3jvu s PRO 40 N -3.93 3.08 0.53 1.29 0.02 -1.26 -4.64 135.00 130.08 3jvu s PRO 40 Ca 0.09 1.45 -0.22 0.00 0.02 0.00 0.00 61.00 62.34 3jvu s PRO 40 Cb 0.08 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3jvu s PRO 40 CO -0.08 -1.04 1.31 -2.30 -0.33 0.00 0.00 177.00 174.55 3jvu n PRO 41 N -1.94 1.69 -3.27 5.54 -0.02 -1.26 -4.25 135.00 131.48 3jvu n PRO 41 Ca 0.11 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3jvu n PRO 41 Cb 0.52 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 3jvu n PRO 41 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jvu s LEU 42 N -2.96 4.45 0.86 2.45 1.43 -0.76 -4.73 118.68 119.42 3jvu s LEU 42 Ca 0.70 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 3jvu s LEU 42 Cb -0.43 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 43.37 3jvu s LEU 42 CO 0.51 -0.49 1.11 -1.61 0.23 0.00 0.00 176.35 176.10 3jvu s GLU 43 N 2.32 1.52 0.13 1.70 2.02 -1.26 0.46 118.70 125.59 3jvu s GLU 43 Ca 0.17 1.29 -0.33 0.00 0.02 0.00 0.00 54.97 56.12 3jvu s GLU 43 Cb -0.16 -1.80 -0.11 0.00 0.10 0.00 0.00 34.13 32.16 3jvu s GLU 43 CO 0.13 -2.20 1.54 1.25 0.02 0.00 0.00 175.26 176.01 3jvu h HIS 44 N -1.54 -1.70 -0.85 1.61 -0.00 -1.89 -0.97 115.15 109.80 3jvu h HIS 44 Ca -0.44 0.08 0.20 0.00 -0.00 0.00 0.00 60.37 60.21 3jvu h HIS 44 Cb 1.26 0.80 -0.16 0.00 -0.00 0.00 0.00 27.41 29.31 3jvu h HIS 44 CO 0.52 -0.49 -0.06 0.87 -0.00 0.00 0.00 177.93 178.78 3jvu h LYS 45 N -0.39 0.05 0.86 5.26 1.57 -1.96 -0.87 116.57 121.08 3jvu h LYS 45 Ca 0.07 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3jvu h LYS 45 Cb 0.59 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.90 3jvu h LYS 45 CO -0.60 0.03 -0.41 1.96 -0.57 0.00 0.00 179.45 179.86 3jvu h GLN 46 N 0.05 -1.11 -0.77 3.15 4.20 -1.53 0.16 115.11 119.26 3jvu h GLN 46 Ca 0.46 0.08 0.08 0.00 0.06 0.00 0.00 58.65 59.33 3jvu h GLN 46 Cb 0.83 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.80 3jvu h GLN 46 CO -0.80 -0.73 0.43 -0.39 -0.67 0.00 0.00 178.83 176.67 3jvu h VAL 47 N -1.24 0.93 -0.68 -0.54 -1.51 -1.11 0.26 116.25 112.36 3jvu h VAL 47 Ca -0.12 -0.26 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3jvu h VAL 47 Cb 0.89 0.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 3jvu h VAL 47 CO 0.19 0.14 0.41 -0.74 -1.23 0.00 0.00 177.57 176.34 3jvu h HIS 48 N 0.75 0.89 0.49 5.19 -0.00 -0.99 0.17 115.15 121.65 3jvu h HIS 48 Ca 0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.71 3jvu h HIS 48 Cb 0.30 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3jvu h HIS 48 CO -0.07 0.60 -0.36 0.00 -0.00 0.00 0.00 177.93 178.10 3jvu h ALA 49 N 1.21 -1.12 -0.99 5.26 0.00 0.12 -1.89 119.26 121.86 3jvu h ALA 49 Ca 0.24 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.25 3jvu h ALA 49 Cb -0.03 0.52 -0.18 0.00 0.00 0.00 0.00 17.79 18.09 3jvu h ALA 49 CO -0.05 -1.11 -0.00 -0.07 0.00 0.00 0.00 179.25 178.02 3jvu h LEU 50 N -0.81 -0.53 0.38 0.00 3.38 -0.11 -0.12 115.31 117.50 3jvu h LEU 50 Ca -0.06 0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3jvu h LEU 50 Cb 0.66 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3jvu h LEU 50 CO 0.03 -0.35 -0.18 0.40 0.09 0.00 0.00 178.44 178.42 3jvu h ILE 51 N 0.01 0.00 -1.04 1.22 2.04 -0.52 -3.20 117.51 116.01 3jvu h ILE 51 Ca 0.59 -0.03 0.27 0.00 1.00 0.00 0.00 64.86 66.68 3jvu h ILE 51 Cb 1.18 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 3jvu h ILE 51 CO -0.93 0.00 0.66 1.88 0.00 0.00 0.00 178.15 179.76 3jvu h TYR 52 N -0.54 0.73 -0.10 1.37 -1.99 -0.80 0.17 116.97 115.81 3jvu h TYR 52 Ca -0.05 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.73 3jvu h TYR 52 Cb 0.39 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 3jvu h TYR 52 CO 0.13 0.05 0.29 -0.44 -0.00 0.00 0.00 178.16 178.19 3jvu h ASP 53 N 0.42 0.00 -0.01 3.88 3.32 -1.03 -1.66 116.42 121.34 3jvu h ASP 53 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3jvu h ASP 53 Cb 1.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3jvu h ASP 53 CO -0.34 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.48 3jvu n ILE 54 N -3.19 0.02 -3.10 0.35 -5.35 0.59 -5.02 119.36 103.66 3jvu n ILE 54 Ca -0.00 -0.51 -0.21 0.00 -0.27 0.00 0.00 62.75 61.76 3jvu n ILE 54 Cb 0.37 1.14 0.01 0.00 -1.74 0.00 0.00 39.64 39.43 3jvu n ILE 54 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3jvu s MET 55 N -0.64 3.00 0.55 6.28 -1.94 -0.63 -5.06 119.30 120.87 3jvu s MET 55 Ca 0.09 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 3jvu s MET 55 Cb 0.06 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.29 3jvu s MET 55 CO 0.09 -0.22 0.32 0.54 -0.01 0.00 0.00 175.02 175.75 3jvu s ASN 56 N -4.24 4.51 0.02 3.03 2.20 -1.26 -4.92 114.94 114.29 3jvu s ASN 56 Ca 0.49 -1.37 -0.06 0.00 -0.94 0.00 0.00 52.86 50.97 3jvu s ASN 56 Cb -0.10 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.67 3jvu s ASN 56 CO 0.35 -1.10 1.11 0.44 -2.94 0.00 0.00 177.10 174.96 3jvu h ASP 57 N 0.84 -0.34 -0.29 3.54 5.19 -1.98 0.22 116.42 123.60 3jvu h ASP 57 Ca -0.38 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.10 3jvu h ASP 57 Cb 1.31 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.92 3jvu h ASP 57 CO 0.60 -0.09 -0.17 1.17 -3.12 0.00 0.00 179.24 177.64 3jvu n LYS 58 N -3.14 -0.13 -0.21 3.56 4.81 -1.26 0.14 118.16 121.93 3jvu n LYS 58 Ca -0.01 0.96 -0.00 0.00 -0.87 0.00 0.00 58.31 58.39 3jvu n LYS 58 Cb 0.07 -1.43 0.07 0.00 0.02 0.00 0.00 35.03 33.76 3jvu n LYS 58 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3jvu h GLN 59 N 0.00 0.01 -0.33 1.64 4.20 -1.88 0.34 115.11 119.09 3jvu h GLN 59 Ca 0.05 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3jvu h GLN 59 Cb 0.12 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3jvu h GLN 59 CO -0.27 0.01 0.12 0.00 -0.67 0.00 0.00 178.83 178.02 3jvu h ARG 60 N 0.01 0.46 0.07 1.46 3.08 0.28 0.04 114.38 119.78 3jvu h ARG 60 Ca 0.31 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3jvu h ARG 60 Cb 0.48 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3jvu h ARG 60 CO -0.63 0.39 -0.04 0.87 -1.07 0.00 0.00 179.97 179.49 3jvu h LYS 61 N 0.46 -0.09 0.34 0.04 1.57 0.47 -2.82 116.57 116.53 3jvu h LYS 61 Ca 0.11 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3jvu h LYS 61 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3jvu h LYS 61 CO -0.01 0.29 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.40 3jvu h ASP 62 N -0.50 -0.87 -0.88 0.86 3.32 -0.33 0.14 116.42 118.14 3jvu h ASP 62 Ca -0.01 0.07 0.34 0.00 0.02 0.00 0.00 57.03 57.45 3jvu h ASP 62 Cb 0.43 0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.11 3jvu h ASP 62 CO 0.02 -0.43 0.37 0.33 -1.72 0.00 0.00 179.24 177.81 3jvu n PHE 63 N -4.33 0.93 0.10 4.55 -0.00 -0.02 0.67 117.46 119.37 3jvu n PHE 63 Ca -0.08 1.05 -0.20 0.00 -0.00 0.00 0.00 57.45 58.22 3jvu n PHE 63 Cb 0.30 -1.39 -0.15 0.00 -0.00 0.00 0.00 39.48 38.24 3jvu n PHE 63 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3jvu h GLU 64 N 0.00 0.37 -0.27 -4.13 5.08 -1.22 -0.11 114.58 114.30 3jvu h GLU 64 Ca 0.70 -0.64 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3jvu h GLU 64 Cb 1.79 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 3jvu h GLU 64 CO -0.72 1.28 -0.20 0.93 -1.00 0.00 0.00 179.01 179.31 3jvu h GLU 65 N 0.10 0.62 -0.14 2.33 5.08 0.31 -3.34 114.58 119.54 3jvu h GLU 65 Ca -0.23 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3jvu h GLU 65 Cb 2.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 3jvu h GLU 65 CO 0.21 0.89 0.00 1.19 -1.00 0.00 0.00 179.01 180.31 3jvu n PHE 66 N -4.36 0.30 -0.29 4.33 3.72 0.21 -4.97 117.46 116.39 3jvu n PHE 66 Ca -0.04 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 3jvu n PHE 66 Cb 0.41 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3jvu n PHE 66 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3jvu n LEU 67 N -0.44 0.59 -3.54 4.37 4.77 -0.06 -4.80 117.00 117.88 3jvu n LEU 67 Ca 0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 3jvu n LEU 67 Cb 0.50 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 3jvu n LEU 67 CO 0.05 -0.29 0.32 -1.83 -1.33 0.00 0.00 177.39 174.31 3jvu s GLU 68 N -0.59 1.09 0.10 3.23 -1.05 -1.22 -3.29 118.70 116.97 3jvu s GLU 68 Ca 0.00 -0.23 -0.25 0.00 -0.15 0.00 0.00 54.97 54.34 3jvu s GLU 68 Cb 0.00 0.50 0.08 0.00 -0.44 0.00 0.00 34.13 34.27 3jvu s GLU 68 CO 0.00 -0.40 0.70 -0.08 0.95 0.00 0.00 175.26 176.42 3jvu s THR 69 N -2.57 0.00 0.19 1.83 -1.32 -0.66 -4.24 115.64 108.87 3jvu s THR 69 Ca -0.05 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.54 3jvu s THR 69 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 3jvu s THR 69 CO -0.03 0.00 -0.23 -1.81 -2.21 0.00 0.00 174.62 170.35 3jvu s ASP 70 N -2.58 3.29 -0.06 8.08 1.01 -1.26 -1.17 116.67 123.98 3jvu s ASP 70 Ca 0.02 -0.87 -0.31 0.00 0.71 0.00 0.00 52.55 52.09 3jvu s ASP 70 Cb -0.01 -0.24 0.12 0.00 1.01 0.00 0.00 42.92 43.80 3jvu s ASP 70 CO -0.11 0.09 1.17 0.72 0.21 0.00 0.00 175.17 177.25 3jvu s PHE 71 N -1.77 -0.12 0.29 4.23 -0.12 -0.53 -5.02 117.98 114.94 3jvu s PHE 71 Ca 0.20 0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 3jvu s PHE 71 Cb -0.07 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 3jvu s PHE 71 CO 0.09 -0.34 0.33 -1.54 -0.05 0.00 0.00 175.22 173.71 3jvu s SER 72 N -2.60 5.78 -0.17 1.98 1.04 -1.26 -0.85 113.70 117.62 3jvu s SER 72 Ca 0.11 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 3jvu s SER 72 Cb 0.01 -1.37 0.05 0.00 0.10 0.00 0.00 66.02 64.81 3jvu s SER 72 CO -0.04 -0.22 0.43 0.12 0.98 0.00 0.00 173.24 174.50 3jvu s PHE 73 N -2.15 -0.56 -0.06 5.02 5.36 0.13 -4.92 117.98 120.80 3jvu s PHE 73 Ca 0.38 1.25 0.03 0.00 -0.96 0.00 0.00 56.93 57.63 3jvu s PHE 73 Cb -0.08 0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 3jvu s PHE 73 CO 0.28 -0.30 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.61 3jvu s GLU 74 N 0.90 2.65 -0.45 10.12 2.12 -1.26 0.11 118.70 132.89 3jvu s GLU 74 Ca -0.05 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 3jvu s GLU 74 Cb -0.06 -2.44 0.09 0.00 0.26 0.00 0.00 34.13 31.98 3jvu s GLU 74 CO -0.07 0.58 0.31 0.08 -0.54 0.00 0.00 175.26 175.62 3jvu s VAL 75 N -0.60 4.36 0.05 3.70 1.01 0.10 -4.97 120.40 124.04 3jvu s VAL 75 Ca 0.09 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 3jvu s VAL 75 Cb -0.11 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3jvu s VAL 75 CO 0.01 -0.62 0.97 -0.81 0.00 0.00 0.00 175.10 174.65 3jvu n PRO 76 N 4.96 -0.13 0.21 2.72 -0.04 -1.26 0.31 135.00 141.76 3jvu n PRO 76 Ca -0.10 0.96 0.09 0.00 -0.04 0.00 0.00 63.50 64.41 3jvu n PRO 76 Cb 0.42 -1.43 0.34 0.00 -0.04 0.00 0.00 33.50 32.80 3jvu n PRO 76 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3jvu h GLY 77 N 0.00 0.00 0.00 0.55 0.00 -2.06 -3.41 103.07 98.15 3jvu h GLY 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3jvu h GLY 77 CO -0.28 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.64 3jvu n VAL 78 N -3.30 0.00 -3.71 4.60 0.31 0.15 -5.11 118.33 111.27 3jvu n VAL 78 Ca 0.01 0.29 -0.00 0.00 -0.01 0.00 0.00 64.34 64.63 3jvu n VAL 78 Cb 0.50 -1.19 -0.00 0.00 -0.91 0.00 0.00 33.84 32.24 3jvu n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jvu s ALA 79 N -3.72 -2.05 0.17 3.52 0.00 -0.39 -5.00 121.76 114.29 3jvu s ALA 79 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 3jvu s ALA 79 Cb 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 3jvu s ALA 79 CO 0.00 -1.06 0.41 1.03 0.00 0.00 0.00 175.76 176.14 3jvu s ARG 80 N -2.60 3.64 -0.01 0.00 0.52 -1.26 0.02 118.95 119.25 3jvu s ARG 80 Ca 0.16 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.35 3jvu s ARG 80 Cb 0.02 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 3jvu s ARG 80 CO -0.01 0.42 -0.12 -0.06 0.02 0.00 0.00 175.30 175.55 3jvu s PHE 81 N -1.72 1.14 -0.27 -0.53 0.08 0.29 -1.71 117.98 115.25 3jvu s PHE 81 Ca 0.42 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 57.05 3jvu s PHE 81 Cb -0.12 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 3jvu s PHE 81 CO 0.25 -0.04 0.56 1.03 -0.10 0.00 0.00 175.22 176.91 3jvu s ARG 82 N -0.19 4.05 -0.19 0.44 0.52 -0.01 -0.70 118.95 122.88 3jvu s ARG 82 Ca 0.03 0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 55.60 3jvu s ARG 82 Cb -0.06 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3jvu s ARG 82 CO -0.00 -0.40 -0.13 0.08 0.02 0.00 0.00 175.30 174.87 3jvu s VAL 83 N 2.40 2.71 -0.18 3.52 1.01 -0.03 -1.15 120.40 128.68 3jvu s VAL 83 Ca 0.23 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3jvu s VAL 83 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3jvu s VAL 83 CO 0.09 0.49 -0.15 0.21 0.00 0.00 0.00 175.10 175.74 3jvu s ASN 84 N 1.25 3.57 -0.04 3.32 3.84 -0.91 -1.45 114.94 124.52 3jvu s ASN 84 Ca 0.03 -0.52 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 3jvu s ASN 84 Cb -0.14 -1.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.96 3jvu s ASN 84 CO -0.06 0.03 0.03 0.00 -2.79 0.00 0.00 177.10 174.31 3jvu s ALA 85 N 1.11 3.39 0.27 1.71 0.00 -0.31 -1.28 121.76 126.64 3jvu s ALA 85 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 3jvu s ALA 85 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3jvu s ALA 85 CO -0.05 0.63 0.62 -0.59 0.00 0.00 0.00 175.76 176.37 3jvu s PHE 86 N -1.03 0.07 -0.01 0.00 -0.71 0.15 -1.66 117.98 114.80 3jvu s PHE 86 Ca 0.18 -0.50 0.04 0.00 -1.04 0.00 0.00 56.93 55.60 3jvu s PHE 86 Cb -0.12 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 3jvu s PHE 86 CO 0.08 -1.16 -0.12 -0.80 -1.34 0.00 0.00 175.22 171.88 3jvu s ASN 87 N -2.97 4.26 0.34 1.98 -0.87 -1.21 0.12 114.94 116.59 3jvu s ASN 87 Ca 0.16 -0.21 0.04 0.00 -1.57 0.00 0.00 52.86 51.27 3jvu s ASN 87 Cb -0.04 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.25 40.25 3jvu s ASN 87 CO 0.08 0.30 0.14 0.00 -2.57 0.00 0.00 177.10 175.06 3jvu s GLN 88 N -1.16 1.71 0.58 -0.60 1.03 0.12 -4.92 119.66 116.43 3jvu s GLN 88 Ca 0.14 -2.00 0.30 0.00 0.04 0.00 0.00 55.36 53.85 3jvu s GLN 88 Cb -0.11 -0.35 1.38 0.00 0.03 0.00 0.00 33.01 33.96 3jvu s GLN 88 CO 0.04 -0.43 1.75 -0.97 -2.54 0.00 0.00 175.29 173.14 3jvu h ASN 89 N 2.06 0.00 0.00 12.60 -1.24 -1.98 0.53 115.58 127.56 3jvu h ASN 89 Ca -0.35 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3jvu h ASN 89 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 3jvu h ASN 89 CO 0.55 0.00 -0.69 0.54 -1.29 0.00 0.00 177.43 176.55 3jvu n ARG 90 N -3.70 0.70 0.00 6.67 1.74 -1.26 -5.07 116.66 115.74 3jvu n ARG 90 Ca 0.15 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3jvu n ARG 90 Cb 0.97 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 3jvu n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jvu n GLY 91 N 1.45 0.56 3.76 -0.13 0.00 0.18 -4.65 105.19 106.36 3jvu n GLY 91 Ca 0.07 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3jvu n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvu s ALA 92 N -1.37 2.19 -0.10 4.61 0.00 -1.26 -0.70 121.76 125.12 3jvu s ALA 92 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 3jvu s ALA 92 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3jvu s ALA 92 CO 0.00 -1.83 0.44 0.20 0.00 0.00 0.00 175.76 174.58 3jvu s GLY 93 N -3.17 -0.31 -0.18 0.00 0.00 0.12 -1.34 107.32 102.44 3jvu s GLY 93 Ca 0.63 0.97 -0.16 0.00 0.00 0.00 0.00 44.72 46.16 3jvu s GLY 93 CO 0.54 0.75 0.47 0.00 0.00 0.00 0.00 173.10 174.86 3jvu s ALA 94 N -0.51 -1.16 -0.06 3.20 0.00 0.07 0.31 121.76 123.61 3jvu s ALA 94 Ca -0.06 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.29 3jvu s ALA 94 Cb -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3jvu s ALA 94 CO 0.03 -0.23 -0.16 0.54 0.00 0.00 0.00 175.76 175.94 3jvu s VAL 95 N 0.35 1.41 -0.26 0.00 0.11 -0.41 0.92 120.40 122.53 3jvu s VAL 95 Ca -0.01 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 3jvu s VAL 95 Cb -0.04 -1.24 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3jvu s VAL 95 CO -0.01 0.41 -0.00 -0.36 -3.33 0.00 0.00 175.10 171.81 3jvu s PHE 96 N 0.34 3.09 -0.30 1.54 0.08 0.48 -2.14 117.98 121.06 3jvu s PHE 96 Ca -0.11 -1.26 -0.11 0.00 0.12 0.00 0.00 56.93 55.57 3jvu s PHE 96 Cb -0.14 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 3jvu s PHE 96 CO 0.04 -0.65 0.19 1.03 -0.10 0.00 0.00 175.22 175.73 3jvu s ARG 97 N 1.41 3.72 0.27 0.44 0.52 -0.30 -0.09 118.95 124.91 3jvu s ARG 97 Ca 0.02 -0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 3jvu s ARG 97 Cb -0.17 -3.66 -0.09 0.00 0.52 0.00 0.00 34.95 31.55 3jvu s ARG 97 CO -0.02 -0.29 1.23 0.95 0.02 0.00 0.00 175.30 177.20 3jvu s THR 98 N 1.72 3.18 -0.19 0.02 -4.23 -0.76 -0.83 115.64 114.55 3jvu s THR 98 Ca 0.06 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.56 3jvu s THR 98 Cb -0.16 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 3jvu s THR 98 CO 0.10 0.23 0.19 -0.63 -0.54 0.00 0.00 174.62 173.97 3jvu s ILE 99 N -0.71 5.37 -0.40 2.99 1.01 -0.70 -4.89 121.20 123.87 3jvu s ILE 99 Ca 0.50 0.32 -0.42 0.00 0.00 0.00 0.00 60.65 61.05 3jvu s ILE 99 Cb -0.36 -3.53 -0.17 0.00 0.01 0.00 0.00 42.46 38.41 3jvu s ILE 99 CO 0.44 0.41 1.90 -2.65 0.00 0.00 0.00 174.94 175.04 3jvu n PRO 100 N 3.60 0.59 -0.03 2.79 -0.02 -1.26 -4.57 135.00 136.10 3jvu n PRO 100 Ca -0.14 0.20 -0.17 0.00 -2.02 0.00 0.00 63.50 61.37 3jvu n PRO 100 Cb 0.52 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 3jvu n PRO 100 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3jvu h SER 101 N 8.20 0.17 -3.35 2.55 4.64 -1.94 -3.42 113.55 120.40 3jvu h SER 101 Ca -0.33 -0.95 -0.56 0.00 -0.47 0.00 0.00 61.79 59.47 3jvu h SER 101 Cb 1.36 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 3jvu h SER 101 CO 1.01 1.19 0.02 -0.75 -0.87 0.00 0.00 176.83 177.43 3jvu s LYS 102 N -2.31 4.39 -0.99 4.77 2.47 -1.26 -4.71 119.74 122.11 3jvu s LYS 102 Ca -0.18 0.77 -0.21 0.00 -1.56 0.00 0.00 55.97 54.79 3jvu s LYS 102 Cb -0.01 -3.42 0.08 0.00 -1.46 0.00 0.00 37.83 33.02 3jvu s LYS 102 CO 0.74 0.16 1.33 0.08 0.16 0.00 0.00 175.35 177.82 3jvu s VAL 103 N 0.51 4.22 0.11 4.02 1.01 -1.26 -4.95 120.40 124.07 3jvu s VAL 103 Ca 0.34 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 3jvu s VAL 103 Cb -0.17 -4.96 -0.07 0.00 0.00 0.00 0.00 36.38 31.18 3jvu s VAL 103 CO 0.16 -1.78 0.51 -0.22 0.00 0.00 0.00 175.10 173.77 3jvu s LEU 104 N 4.13 4.37 0.82 3.92 0.20 -1.26 -5.01 118.68 125.85 3jvu s LEU 104 Ca 0.41 1.03 -0.11 0.00 0.69 0.00 0.00 54.13 56.15 3jvu s LEU 104 Cb -0.02 -3.12 0.11 0.00 -0.43 0.00 0.00 46.19 42.74 3jvu s LEU 104 CO -0.10 0.15 1.17 0.42 -0.29 0.00 0.00 176.35 177.71 3jvu s THR 105 N -1.39 2.07 0.13 3.68 -4.23 -1.26 -4.18 115.64 110.47 3jvu s THR 105 Ca 0.35 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 3jvu s THR 105 Cb -0.15 -2.98 -0.19 0.00 1.34 0.00 0.00 72.50 70.52 3jvu s THR 105 CO 0.18 0.00 1.30 -0.03 -0.54 0.00 0.00 174.62 175.54 3jvu h MET 106 N -1.09 0.23 0.28 3.99 4.05 -1.95 -2.48 114.93 117.96 3jvu h MET 106 Ca -0.45 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 58.67 3jvu h MET 106 Cb 1.30 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 3jvu h MET 106 CO 0.55 1.05 -0.13 0.93 0.23 0.00 0.00 176.91 179.54 3jvu h GLU 107 N 0.11 -0.36 -1.22 0.39 5.08 -1.95 -0.98 114.58 115.65 3jvu h GLU 107 Ca -0.07 0.02 0.36 0.00 -1.00 0.00 0.00 59.36 58.67 3jvu h GLU 107 Cb 1.65 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.93 3jvu h GLU 107 CO 0.15 -0.03 0.91 0.93 -1.00 0.00 0.00 179.01 179.97 3jvu h GLU 108 N -0.76 0.00 -0.17 2.33 5.08 -1.93 1.33 114.58 120.46 3jvu h GLU 108 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3jvu h GLU 108 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3jvu h GLU 108 CO 0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 3jvu n LEU 109 N -4.10 2.69 -2.94 1.33 4.77 -0.94 -4.97 117.00 112.84 3jvu n LEU 109 Ca 0.26 -1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 3jvu n LEU 109 Cb 1.31 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 42.32 3jvu n LEU 109 CO 0.40 0.51 -0.06 0.61 -1.33 0.00 0.00 177.39 177.52 3jvu n GLY 110 N 1.34 -0.51 3.81 -0.72 0.00 0.46 -4.98 105.19 104.59 3jvu n GLY 110 Ca 0.17 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3jvu n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jvu s MET 111 N -5.61 4.24 0.49 1.61 -1.94 -0.41 -5.03 119.30 112.66 3jvu s MET 111 Ca 0.25 0.84 0.08 0.00 -1.71 0.00 0.00 55.69 55.15 3jvu s MET 111 Cb -0.12 -2.93 0.08 0.00 2.01 0.00 0.00 34.83 33.87 3jvu s MET 111 CO 0.31 0.43 0.68 0.41 -0.01 0.00 0.00 175.02 176.84 3jvu n GLY 112 N 0.85 1.96 0.51 -0.03 0.00 -1.26 -4.69 105.19 102.52 3jvu n GLY 112 Ca -0.03 -2.21 0.35 0.00 0.00 0.00 0.00 46.02 44.12 3jvu n GLY 112 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jvu h GLU 113 N 0.00 0.12 -0.61 1.61 4.39 -2.00 -0.57 114.58 117.52 3jvu h GLU 113 Ca -0.23 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.58 3jvu h GLU 113 Cb 1.05 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.59 3jvu h GLU 113 CO 0.33 0.08 0.13 -0.24 -1.16 0.00 0.00 179.01 178.15 3jvu h VAL 114 N 0.13 0.62 0.22 3.13 3.04 -1.94 0.16 116.25 121.61 3jvu h VAL 114 Ca 0.69 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 66.28 3jvu h VAL 114 Cb 2.34 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3jvu h VAL 114 CO -0.19 0.05 -0.10 -0.26 -1.01 0.00 0.00 177.57 176.06 3jvu h PHE 115 N 0.25 -0.27 0.13 3.17 -1.00 -1.47 -0.92 116.94 116.83 3jvu h PHE 115 Ca 0.32 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.11 3jvu h PHE 115 Cb 0.49 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 3jvu h PHE 115 CO -0.25 -0.15 -0.53 0.87 -1.61 0.00 0.00 178.31 176.63 3jvu h LYS 116 N -0.31 -0.74 -0.91 1.51 1.57 -1.39 0.26 116.57 116.57 3jvu h LYS 116 Ca -0.03 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 3jvu h LYS 116 Cb 0.23 0.17 -0.16 0.00 0.08 0.00 0.00 32.23 32.55 3jvu h LYS 116 CO 0.05 -0.49 -0.32 0.00 -0.57 0.00 0.00 179.45 178.12 3jvu h ARG 117 N -0.76 -0.02 0.22 3.15 3.08 -0.57 0.26 114.38 119.74 3jvu h ARG 117 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jvu h ARG 117 Cb 0.77 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3jvu h ARG 117 CO -0.29 -0.02 -0.20 0.28 -1.07 0.00 0.00 179.97 178.67 3jvu h VAL 118 N -0.02 0.55 -0.07 2.04 2.07 -0.47 -0.78 116.25 119.57 3jvu h VAL 118 Ca 0.37 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.91 3jvu h VAL 118 Cb 0.62 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3jvu h VAL 118 CO -0.93 0.00 0.28 0.28 0.02 0.00 0.00 177.57 177.22 3jvu h SER 119 N -0.45 0.00 0.82 0.57 0.02 0.18 -2.31 113.55 112.38 3jvu h SER 119 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jvu h SER 119 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3jvu h SER 119 CO -0.04 0.00 -0.65 0.47 -1.14 0.00 0.00 176.83 175.47 3jvu n ASP 120 N -3.11 0.68 -4.57 3.07 8.00 0.69 -4.90 116.55 116.41 3jvu n ASP 120 Ca -0.01 0.08 -0.47 0.00 0.71 0.00 0.00 54.79 55.11 3jvu n ASP 120 Cb 0.35 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 3jvu n ASP 120 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3jvu n VAL 121 N -2.08 1.40 0.10 2.53 0.24 -0.87 -4.85 118.33 114.81 3jvu n VAL 121 Ca 0.03 -0.35 0.02 0.00 -2.04 0.00 0.00 64.34 62.00 3jvu n VAL 121 Cb 0.44 -0.87 0.36 0.00 -1.47 0.00 0.00 33.84 32.30 3jvu n VAL 121 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3jvu h PRO 122 N 2.69 0.27 0.00 7.34 0.13 -1.92 -3.47 132.00 137.05 3jvu h PRO 122 Ca -0.41 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3jvu h PRO 122 Cb 1.35 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3jvu h PRO 122 CO 0.66 0.42 0.27 2.89 -0.23 0.00 0.00 178.00 182.01 3jvu n ARG 123 N -4.25 0.92 0.00 0.86 1.85 -1.26 -4.30 116.66 110.48 3jvu n ARG 123 Ca -0.01 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 55.02 3jvu n ARG 123 Cb 0.29 2.30 0.00 0.00 -1.05 0.00 0.00 32.46 33.99 3jvu n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3jvu n GLY 124 N -0.48 -0.93 3.37 2.89 0.00 0.32 -4.79 105.19 105.57 3jvu n GLY 124 Ca -0.07 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 3jvu n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jvu s LEU 125 N 0.00 2.57 -0.10 0.99 2.96 0.56 -1.06 118.68 124.60 3jvu s LEU 125 Ca 0.00 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3jvu s LEU 125 Cb 0.00 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3jvu s LEU 125 CO 0.00 0.23 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 3jvu s VAL 126 N -0.04 1.27 -0.18 1.68 1.01 0.02 0.17 120.40 124.34 3jvu s VAL 126 Ca -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3jvu s VAL 126 Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3jvu s VAL 126 CO 0.04 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 174.68 3jvu s LEU 127 N 1.15 2.73 -0.36 3.92 1.43 -0.61 -1.57 118.68 125.38 3jvu s LEU 127 Ca -0.04 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3jvu s LEU 127 Cb -0.14 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.49 3jvu s LEU 127 CO -0.03 0.06 0.12 -0.69 0.23 0.00 0.00 176.35 176.04 3jvu s VAL 128 N 0.99 3.57 0.45 -1.59 1.01 -0.96 -0.39 120.40 123.48 3jvu s VAL 128 Ca -0.01 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.62 3jvu s VAL 128 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3jvu s VAL 128 CO -0.01 -0.31 0.22 0.42 0.00 0.00 0.00 175.10 175.41 3jvu s THR 129 N 1.32 2.10 0.00 3.92 -4.23 0.16 -3.53 115.64 115.38 3jvu s THR 129 Ca 0.00 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3jvu s THR 129 Cb -0.21 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.87 3jvu s THR 129 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3jvu n GLY 130 N -1.36 4.08 3.91 3.99 0.00 -0.68 -2.01 105.19 113.12 3jvu n GLY 130 Ca -0.03 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 3jvu n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jvu s PRO 131 N -2.90 3.47 -0.03 1.61 0.04 -1.16 -3.92 135.00 132.12 3jvu s PRO 131 Ca 0.00 0.14 -0.40 0.00 0.04 0.00 0.00 61.00 60.78 3jvu s PRO 131 Cb 0.00 -2.39 -0.19 0.00 0.04 0.00 0.00 34.50 31.96 3jvu s PRO 131 CO 0.00 -0.23 1.17 0.25 0.04 0.00 0.00 177.00 178.23 3jvu n THR 132 N -2.26 0.01 0.00 1.26 -2.24 -1.26 -1.85 114.28 107.94 3jvu n THR 132 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3jvu n THR 132 Cb 0.55 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3jvu n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvu n GLY 133 N 1.92 3.42 0.78 3.38 0.00 -1.26 -4.96 105.19 108.47 3jvu n GLY 133 Ca 0.21 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 45.20 3jvu n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jvu n SER 134 N 0.00 2.07 -2.82 1.61 3.41 -0.77 -4.83 113.62 112.29 3jvu n SER 134 Ca 0.00 -2.20 -0.03 0.00 -0.26 0.00 0.00 58.87 56.38 3jvu n SER 134 Cb 0.00 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 3jvu n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jvu n GLY 135 N 0.35 -0.02 0.23 5.00 0.00 -1.26 -4.60 105.19 104.88 3jvu n GLY 135 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3jvu n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvu h LYS 136 N 0.99 0.36 -0.55 1.61 1.57 -1.91 -0.54 116.57 118.10 3jvu h LYS 136 Ca -0.06 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 3jvu h LYS 136 Cb 0.13 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.26 3jvu h LYS 136 CO 0.06 0.24 0.10 0.43 -0.57 0.00 0.00 179.45 179.71 3jvu n SER 137 N -5.02 0.01 0.07 0.86 7.64 -1.26 0.34 113.62 116.26 3jvu n SER 137 Ca 0.08 0.93 -0.11 0.00 1.01 0.00 0.00 58.87 60.77 3jvu n SER 137 Cb 0.26 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 3jvu n SER 137 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3jvu h THR 138 N 0.00 0.53 0.04 0.44 2.02 -1.45 0.91 112.91 115.39 3jvu h THR 138 Ca 0.37 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 3jvu h THR 138 Cb 0.85 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3jvu h THR 138 CO -0.49 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.12 3jvu h THR 139 N -0.33 1.02 -0.29 3.16 2.02 0.57 -0.46 112.91 118.61 3jvu h THR 139 Ca 0.05 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3jvu h THR 139 Cb 0.40 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 3jvu h THR 139 CO -0.17 0.04 -0.48 -0.07 0.37 0.00 0.00 175.52 175.22 3jvu h LEU 140 N -0.12 -1.56 -0.63 2.58 3.38 -0.25 0.21 115.31 118.91 3jvu h LEU 140 Ca -0.00 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.30 3jvu h LEU 140 Cb 0.11 0.65 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 3jvu h LEU 140 CO 0.01 -0.42 -0.16 0.00 0.09 0.00 0.00 178.44 177.96 3jvu h ALA 141 N 0.11 0.41 -0.85 1.53 0.00 0.11 0.13 119.26 120.69 3jvu h ALA 141 Ca 0.09 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3jvu h ALA 141 Cb 0.62 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3jvu h ALA 141 CO -0.51 -0.43 0.54 0.00 0.00 0.00 0.00 179.25 178.84 3jvu h ALA 142 N 1.62 1.15 -0.19 0.00 0.00 0.23 0.49 119.26 122.56 3jvu h ALA 142 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3jvu h ALA 142 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jvu h ALA 142 CO -0.66 0.32 0.04 0.52 0.00 0.00 0.00 179.25 179.47 3jvu h MET 143 N 1.01 0.31 -0.21 0.00 2.07 0.18 0.68 114.93 118.97 3jvu h MET 143 Ca 0.36 -0.08 0.02 0.00 -2.07 0.00 0.00 59.70 57.93 3jvu h MET 143 Cb 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 3jvu h MET 143 CO -0.15 0.46 0.06 -0.07 1.07 0.00 0.00 176.91 178.28 3jvu h LEU 144 N 0.12 0.06 -0.39 1.22 3.38 -0.36 -2.03 115.31 117.31 3jvu h LEU 144 Ca 0.06 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3jvu h LEU 144 Cb 0.29 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3jvu h LEU 144 CO 0.00 0.06 -0.18 -0.78 0.09 0.00 0.00 178.44 177.63 3jvu h ASP 145 N 0.16 -0.62 -0.82 -0.43 3.58 0.12 0.18 116.42 118.58 3jvu h ASP 145 Ca 0.09 0.15 0.20 0.00 0.42 0.00 0.00 57.03 57.89 3jvu h ASP 145 Cb 0.07 0.34 -0.14 0.00 1.72 0.00 0.00 39.33 41.32 3jvu h ASP 145 CO -0.10 -0.22 0.07 0.22 -2.88 0.00 0.00 179.24 176.34 3jvu h TYR 146 N -0.11 0.06 -0.06 0.28 3.20 -0.15 0.14 116.97 120.34 3jvu h TYR 146 Ca 0.19 0.06 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 3jvu h TYR 146 Cb 0.41 0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.79 3jvu h TYR 146 CO -0.42 -0.25 -0.74 -0.07 -1.64 0.00 0.00 178.16 175.05 3jvu h LEU 147 N 0.13 0.75 -2.18 2.82 4.07 -0.87 -2.73 115.31 117.30 3jvu h LEU 147 Ca 0.47 -0.69 0.03 0.00 0.08 0.00 0.00 57.88 57.76 3jvu h LEU 147 Cb 0.88 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 3jvu h LEU 147 CO -0.69 1.34 0.28 -1.13 -1.08 0.00 0.00 178.44 177.16 3jvu h ASN 148 N 0.23 0.00 0.29 -0.43 -1.24 0.12 0.66 115.58 115.21 3jvu h ASN 148 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3jvu h ASN 148 Cb 1.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.45 3jvu h ASN 148 CO 0.15 0.00 -0.82 0.59 -1.29 0.00 0.00 177.43 176.06 3jvu n ASN 149 N -3.20 0.71 0.00 1.15 4.13 0.30 -0.13 115.26 118.22 3jvu n ASN 149 Ca -0.00 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.73 3jvu n ASN 149 Cb 0.36 0.67 0.00 0.00 -1.54 0.00 0.00 39.78 39.28 3jvu n ASN 149 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3jvu n THR 150 N -1.61 0.00 -4.98 3.41 -2.24 0.18 -4.83 114.28 104.22 3jvu n THR 150 Ca 0.04 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 3jvu n THR 150 Cb 0.36 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.88 3jvu n THR 150 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3jvu s LYS 151 N -0.99 1.85 -1.31 -0.78 1.02 0.14 -5.02 119.74 114.65 3jvu s LYS 151 Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 55.97 54.85 3jvu s LYS 151 Cb 0.00 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.41 3jvu s LYS 151 CO 0.00 0.52 2.51 0.66 -0.92 0.00 0.00 175.35 178.12 3jvu n TYR 152 N 1.89 2.49 -4.25 3.18 4.02 -1.26 -3.65 117.16 119.59 3jvu n TYR 152 Ca -0.17 -2.80 -0.24 0.00 -0.01 0.00 0.00 57.90 54.68 3jvu n TYR 152 Cb 0.52 -1.91 -0.03 0.00 -0.02 0.00 0.00 39.34 37.90 3jvu n TYR 152 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3jvu n HIS 153 N 1.95 0.17 -3.90 -0.72 8.25 -1.24 -4.93 115.22 114.81 3jvu n HIS 153 Ca 0.64 -1.98 -0.34 0.00 -0.26 0.00 0.00 57.72 55.78 3jvu n HIS 153 Cb 0.27 -0.32 -0.13 0.00 1.12 0.00 0.00 29.99 30.93 3jvu n HIS 153 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3jvu s HIS 154 N -2.37 3.58 -0.14 4.41 2.46 -1.26 -0.71 115.29 121.25 3jvu s HIS 154 Ca 0.12 -2.52 -0.22 0.00 0.47 0.00 0.00 55.06 52.91 3jvu s HIS 154 Cb -0.01 -2.87 -0.03 0.00 -0.13 0.00 0.00 32.58 29.54 3jvu s HIS 154 CO 0.07 -0.93 0.66 0.42 -2.47 0.00 0.00 174.74 172.49 3jvu s ILE 155 N 1.08 5.03 -0.16 0.89 1.01 0.20 -0.77 121.20 128.48 3jvu s ILE 155 Ca 0.06 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3jvu s ILE 155 Cb -0.21 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.30 3jvu s ILE 155 CO -0.05 0.17 -0.12 -0.22 0.00 0.00 0.00 174.94 174.71 3jvu s LEU 156 N 1.45 1.84 0.06 2.97 2.96 0.49 -0.26 118.68 128.19 3jvu s LEU 156 Ca 0.32 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3jvu s LEU 156 Cb -0.16 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3jvu s LEU 156 CO 0.13 -0.09 -0.16 0.42 -1.32 0.00 0.00 176.35 175.33 3jvu s THR 157 N 1.48 2.93 -0.31 3.68 -4.23 0.70 -0.75 115.64 119.14 3jvu s THR 157 Ca 0.03 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3jvu s THR 157 Cb -0.14 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.52 3jvu s THR 157 CO -0.10 0.26 0.09 -0.63 -0.54 0.00 0.00 174.62 173.70 3jvu s ILE 158 N -1.01 0.94 -0.01 2.99 1.01 0.27 -0.16 121.20 125.22 3jvu s ILE 158 Ca 0.16 -1.42 0.06 0.00 0.00 0.00 0.00 60.65 59.45 3jvu s ILE 158 Cb -0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3jvu s ILE 158 CO 0.07 -0.65 -0.18 -1.61 0.00 0.00 0.00 174.94 172.57 3jvu s GLU 159 N 1.59 1.41 -0.56 2.79 2.02 -0.65 0.65 118.70 125.95 3jvu s GLU 159 Ca 0.09 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.46 3jvu s GLU 159 Cb -0.17 -1.38 0.14 0.00 0.10 0.00 0.00 34.13 32.82 3jvu s GLU 159 CO -0.24 0.38 0.33 0.34 0.02 0.00 0.00 175.26 176.09 3jvu s ASP 160 N -0.51 4.22 0.48 -0.19 -1.08 -1.26 -0.84 116.67 117.48 3jvu s ASP 160 Ca 0.07 -3.21 0.06 0.00 -0.52 0.00 0.00 52.55 48.95 3jvu s ASP 160 Cb -0.07 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.92 3jvu s ASP 160 CO -0.00 -0.19 0.35 -2.16 0.52 0.00 0.00 175.17 173.68 3jvu s PRO 161 N -0.52 2.32 0.11 4.34 0.04 -1.26 -4.99 135.00 135.04 3jvu s PRO 161 Ca 0.20 -1.85 -0.33 0.00 0.04 0.00 0.00 61.00 59.06 3jvu s PRO 161 Cb -0.18 -2.15 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 3jvu s PRO 161 CO -0.06 -0.39 1.69 -0.89 0.04 0.00 0.00 177.00 177.39 3jvu n ILE 162 N -1.59 0.17 0.00 0.56 5.41 -1.24 -4.94 119.36 117.74 3jvu n ILE 162 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3jvu n ILE 162 Cb 0.64 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 3jvu n ILE 162 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3jvu n GLU 163 N 4.45 0.00 -2.88 0.38 4.07 -1.26 -4.93 120.64 120.48 3jvu n GLU 163 Ca 0.18 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.93 3jvu n GLU 163 Cb 0.31 -0.03 -0.07 0.00 -0.06 0.00 0.00 31.44 31.59 3jvu n GLU 163 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3jvu s PHE 164 N 0.00 3.54 -0.16 4.31 0.08 -1.26 -4.59 117.98 119.90 3jvu s PHE 164 Ca 0.00 1.61 -0.05 0.00 0.12 0.00 0.00 56.93 58.62 3jvu s PHE 164 Cb 0.00 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 3jvu s PHE 164 CO 0.00 0.13 -0.01 0.08 -0.10 0.00 0.00 175.22 175.31 3jvu s VAL 165 N -1.80 4.10 0.06 -0.44 1.01 -1.26 -5.08 120.40 116.98 3jvu s VAL 165 Ca 0.53 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3jvu s VAL 165 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3jvu s VAL 165 CO 0.19 0.49 0.12 -1.00 0.00 0.00 0.00 175.10 174.90 3jvu s HIS 166 N 0.35 3.31 -0.13 5.22 3.76 -1.26 -4.41 115.29 122.14 3jvu s HIS 166 Ca -0.03 0.15 -0.10 0.00 -0.15 0.00 0.00 55.06 54.94 3jvu s HIS 166 Cb -0.14 -1.68 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 3jvu s HIS 166 CO 0.02 0.55 0.21 -1.21 -0.85 0.00 0.00 174.74 173.46 3jvu s GLU 167 N -2.32 3.87 -0.24 1.40 2.02 -1.26 -5.00 118.70 117.17 3jvu s GLU 167 Ca 0.30 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.98 3jvu s GLU 167 Cb -0.12 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 3jvu s GLU 167 CO 0.23 0.53 2.07 -1.12 0.02 0.00 0.00 175.26 176.99 3jvu s SER 168 N -0.37 5.65 0.00 -0.19 0.01 -1.26 -4.85 113.70 112.69 3jvu s SER 168 Ca 0.15 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.17 3jvu s SER 168 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3jvu s SER 168 CO 0.04 -1.83 0.00 0.29 0.41 0.00 0.00 173.24 172.15 3jvu n LYS 169 N 8.57 0.00 0.04 12.44 5.02 -1.26 -4.82 118.16 138.15 3jvu n LYS 169 Ca 0.27 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.69 3jvu n LYS 169 Cb 0.45 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.83 3jvu n LYS 169 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3jvu n LYS 170 N 0.00 0.14 -4.25 1.97 5.02 0.81 -4.84 118.16 117.01 3jvu n LYS 170 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 3jvu n LYS 170 Cb 0.00 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.30 3jvu n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jvu s LEU 172 N -1.74 3.89 -0.25 0.00 2.96 0.12 -4.47 118.68 119.19 3jvu s LEU 172 Ca 0.21 1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 55.29 3jvu s LEU 172 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3jvu s LEU 172 CO 0.12 -1.07 0.05 -0.69 -1.32 0.00 0.00 176.35 173.45 3jvu s VAL 173 N 4.35 4.10 -0.21 1.68 1.01 -1.26 0.60 120.40 130.67 3jvu s VAL 173 Ca 0.56 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 3jvu s VAL 173 Cb -0.17 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3jvu s VAL 173 CO 0.23 0.30 -0.13 0.20 0.00 0.00 0.00 175.10 175.70 3jvu s ASN 174 N 1.57 3.79 -0.16 3.32 0.01 0.64 -4.86 114.94 119.25 3jvu s ASN 174 Ca 0.06 -0.76 -0.03 0.00 -0.71 0.00 0.00 52.86 51.42 3jvu s ASN 174 Cb -0.15 -1.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 3jvu s ASN 174 CO 0.02 -0.06 -0.05 -1.10 -1.51 0.00 0.00 177.10 174.41 3jvu s GLN 175 N 1.31 3.61 -0.20 -0.60 -0.21 -1.26 -0.21 119.66 122.09 3jvu s GLN 175 Ca 0.02 -0.55 -0.03 0.00 0.02 0.00 0.00 55.36 54.83 3jvu s GLN 175 Cb -0.15 -2.90 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 3jvu s GLN 175 CO -0.08 0.19 -0.07 1.03 -2.12 0.00 0.00 175.29 174.23 3jvu s ARG 176 N 0.50 3.35 -0.40 2.91 0.52 0.77 -4.95 118.95 121.65 3jvu s ARG 176 Ca -0.04 -0.65 -0.22 0.00 -0.52 0.00 0.00 55.73 54.30 3jvu s ARG 176 Cb -0.14 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.44 3jvu s ARG 176 CO 0.03 -0.12 0.72 -2.00 0.02 0.00 0.00 175.30 173.95 3jvu s GLU 177 N 1.24 3.56 0.22 3.54 2.12 -1.26 -1.64 118.70 126.48 3jvu s GLU 177 Ca 0.03 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 3jvu s GLU 177 Cb -0.14 -3.87 -0.15 0.00 0.26 0.00 0.00 34.13 30.23 3jvu s GLU 177 CO -0.03 -0.92 0.98 0.28 -0.54 0.00 0.00 175.26 175.03 3jvu n VAL 178 N 5.85 1.52 0.00 3.70 0.31 -0.02 -0.06 118.33 129.62 3jvu n VAL 178 Ca 0.01 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3jvu n VAL 178 Cb 0.48 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 3jvu n VAL 178 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3jvu n HIS 179 N 0.70 0.00 0.00 3.52 8.25 0.37 -4.67 115.22 123.39 3jvu n HIS 179 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3jvu n HIS 179 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3jvu n HIS 179 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3jvu n ARG 180 N -2.00 0.00 0.01 -0.41 0.63 -0.14 -4.81 116.66 109.94 3jvu n ARG 180 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3jvu n ARG 180 Cb 0.00 -0.47 -0.03 0.00 0.45 0.00 0.00 32.46 32.40 3jvu n ARG 180 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3jvu n ASP 181 N -3.00 0.65 -3.48 6.15 8.00 0.91 -4.98 116.55 120.80 3jvu n ASP 181 Ca 0.00 -0.46 -0.14 0.00 0.71 0.00 0.00 54.79 54.90 3jvu n ASP 181 Cb 0.45 0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 42.49 3jvu n ASP 181 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jvu s THR 182 N -3.15 0.01 -0.12 -3.53 -1.32 -1.22 -4.90 115.64 101.41 3jvu s THR 182 Ca 0.04 -0.08 0.14 0.00 -1.21 0.00 0.00 61.69 60.58 3jvu s THR 182 Cb 0.15 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 70.17 3jvu s THR 182 CO 0.83 -0.04 1.43 -0.07 -2.21 0.00 0.00 174.62 174.55 3jvu h LEU 183 N 2.40 0.00 0.00 9.08 3.38 -1.93 1.07 115.31 129.31 3jvu h LEU 183 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3jvu h LEU 183 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3jvu h LEU 183 CO 0.39 0.57 0.00 0.61 0.09 0.00 0.00 178.44 180.10 3jvu n GLY 184 N 1.22 0.53 0.33 0.83 0.00 -1.26 -4.49 105.19 102.36 3jvu n GLY 184 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.27 3jvu n GLY 184 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3jvu h PHE 185 N 0.00 0.97 0.15 1.61 0.04 -1.97 -0.35 116.94 117.39 3jvu h PHE 185 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3jvu h PHE 185 Cb 0.00 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.85 3jvu h PHE 185 CO 0.00 0.43 -0.07 0.66 -0.60 0.00 0.00 178.31 178.73 3jvu h SER 186 N 0.91 -0.17 -0.17 2.17 4.64 -1.95 0.36 113.55 119.33 3jvu h SER 186 Ca 0.42 -0.35 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3jvu h SER 186 Cb 0.33 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.39 3jvu h SER 186 CO -0.23 0.30 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.19 3jvu h GLU 187 N -0.71 -0.52 -0.37 4.77 3.07 -1.91 -0.36 114.58 118.55 3jvu h GLU 187 Ca -0.02 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3jvu h GLU 187 Cb 0.51 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.46 3jvu h GLU 187 CO 0.03 -0.35 -0.11 0.00 -1.40 0.00 0.00 179.01 177.19 3jvu h ALA 188 N -0.15 0.22 -0.39 3.43 0.00 -1.06 -2.14 119.26 119.18 3jvu h ALA 188 Ca 0.05 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3jvu h ALA 188 Cb 0.66 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3jvu h ALA 188 CO -0.45 -0.47 -0.03 -0.07 0.00 0.00 0.00 179.25 178.22 3jvu h LEU 189 N -0.02 -0.23 0.30 0.00 3.38 0.37 -0.48 115.31 118.63 3jvu h LEU 189 Ca 0.18 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3jvu h LEU 189 Cb 0.29 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3jvu h LEU 189 CO -0.39 -0.07 -0.42 0.03 0.09 0.00 0.00 178.44 177.67 3jvu h ARG 190 N 0.07 -0.75 -0.74 1.13 3.08 -0.45 -1.57 114.38 115.16 3jvu h ARG 190 Ca 0.19 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.45 3jvu h ARG 190 Cb 0.28 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.36 3jvu h ARG 190 CO -0.35 -0.50 -0.09 0.77 -1.07 0.00 0.00 179.97 178.73 3jvu h SER 191 N -0.78 -0.52 -0.99 7.04 0.02 -1.04 0.22 113.55 117.49 3jvu h SER 191 Ca -0.02 0.21 0.33 0.00 -0.84 0.00 0.00 61.79 61.47 3jvu h SER 191 Cb 0.73 0.40 -0.15 0.00 0.14 0.00 0.00 62.40 63.52 3jvu h SER 191 CO -0.14 -0.21 0.53 0.00 -1.14 0.00 0.00 176.83 175.87 3jvu h ALA 192 N 1.72 1.92 0.00 3.77 0.00 -0.07 0.29 119.26 126.88 3jvu h ALA 192 Ca 0.38 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3jvu h ALA 192 Cb 0.63 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3jvu h ALA 192 CO -0.71 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.21 3jvu n LEU 193 N -5.09 0.00 -2.63 0.00 4.77 0.76 -1.59 117.00 113.22 3jvu n LEU 193 Ca 0.32 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 3jvu n LEU 193 Cb 0.99 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.18 3jvu n LEU 193 CO 0.08 0.00 0.43 -2.11 -1.33 0.00 0.00 177.39 174.46 3jvu n ARG 194 N -0.72 1.39 -0.06 3.23 1.85 0.10 -4.79 116.66 117.67 3jvu n ARG 194 Ca 0.02 -1.87 0.01 0.00 -1.00 0.00 0.00 57.85 55.02 3jvu n ARG 194 Cb 0.01 -0.15 0.02 0.00 -1.05 0.00 0.00 32.46 31.29 3jvu n ARG 194 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3jvu n GLU 195 N -1.19 1.59 -3.67 2.89 1.02 -0.62 -5.01 120.64 115.66 3jvu n GLU 195 Ca -0.11 -1.32 -0.22 0.00 -0.02 0.00 0.00 57.16 55.50 3jvu n GLU 195 Cb 0.85 -0.88 0.05 0.00 -0.02 0.00 0.00 31.44 31.44 3jvu n GLU 195 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3jvu n ASP 196 N -0.44 -2.07 -4.83 1.62 2.03 -1.26 -4.95 116.55 106.64 3jvu n ASP 196 Ca 0.02 -0.76 -0.34 0.00 0.52 0.00 0.00 54.79 54.23 3jvu n ASP 196 Cb 0.42 -4.30 -0.06 0.00 -0.72 0.00 0.00 41.12 36.46 3jvu n ASP 196 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3jvu s PRO 197 N -5.95 4.13 -0.22 -0.67 0.04 -1.26 -4.79 135.00 126.28 3jvu s PRO 197 Ca 0.12 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 3jvu s PRO 197 Cb -0.06 -2.64 -0.16 0.00 0.04 0.00 0.00 34.50 31.69 3jvu s PRO 197 CO 0.79 0.26 0.03 -0.25 0.04 0.00 0.00 177.00 177.88 3jvu n ASP 198 N 0.15 1.88 -4.24 6.66 8.00 0.05 -4.95 116.55 124.10 3jvu n ASP 198 Ca 0.01 0.42 -0.32 0.00 0.71 0.00 0.00 54.79 55.61 3jvu n ASP 198 Cb 0.52 -0.92 -0.17 0.00 -0.02 0.00 0.00 41.12 40.53 3jvu n ASP 198 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jvu s ILE 199 N -2.40 2.06 -0.11 0.53 1.01 -0.98 -2.51 121.20 118.81 3jvu s ILE 199 Ca -0.30 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.35 3jvu s ILE 199 Cb 0.07 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3jvu s ILE 199 CO 0.53 0.56 -0.22 -0.63 0.00 0.00 0.00 174.94 175.18 3jvu s ILE 200 N 0.18 2.21 -0.32 2.92 1.01 0.17 -0.38 121.20 127.01 3jvu s ILE 200 Ca -0.14 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 3jvu s ILE 200 Cb -0.17 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3jvu s ILE 200 CO 0.07 0.55 0.17 -0.22 0.00 0.00 0.00 174.94 175.51 3jvu s LEU 201 N 0.46 4.20 -0.51 2.97 2.96 0.07 -0.44 118.68 128.38 3jvu s LEU 201 Ca -0.15 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 3jvu s LEU 201 Cb -0.17 -2.02 0.11 0.00 0.50 0.00 0.00 46.19 44.61 3jvu s LEU 201 CO 0.06 -0.21 0.44 0.68 -1.32 0.00 0.00 176.35 176.00 3jvu s VAL 202 N 1.62 5.05 0.00 1.68 -7.23 0.10 0.94 120.40 122.56 3jvu s VAL 202 Ca 0.05 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3jvu s VAL 202 Cb -0.17 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.59 3jvu s VAL 202 CO 0.07 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 3jvu n GLY 203 N 5.18 0.00 3.96 2.32 0.00 0.21 -3.83 105.19 113.03 3jvu n GLY 203 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3jvu n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jvu s GLU 204 N 0.00 3.26 -0.43 1.61 2.56 -1.26 -3.08 118.70 121.35 3jvu s GLU 204 Ca 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 54.97 54.47 3jvu s GLU 204 Cb 0.00 -2.70 0.35 0.00 2.00 0.00 0.00 34.13 33.78 3jvu s GLU 204 CO 0.00 0.03 0.79 -1.33 -0.56 0.00 0.00 175.26 174.19 3jvu n MET 205 N -1.80 1.59 -0.31 4.30 2.81 -1.18 -4.81 117.12 117.71 3jvu n MET 205 Ca -0.02 -3.78 0.11 0.00 -1.81 0.00 0.00 57.70 52.19 3jvu n MET 205 Cb 0.57 -1.85 0.28 0.00 -0.71 0.00 0.00 33.22 31.51 3jvu n MET 205 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3jvu n ARG 206 N 0.14 2.49 -3.81 0.03 0.63 -1.26 -4.79 116.66 110.09 3jvu n ARG 206 Ca 0.27 -2.31 -0.13 0.00 -0.92 0.00 0.00 57.85 54.76 3jvu n ARG 206 Cb 0.59 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 3jvu n ARG 206 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3jvu s ASP 207 N -1.07 -0.08 0.11 6.15 1.01 -1.26 -5.04 116.67 116.50 3jvu s ASP 207 Ca 0.43 0.20 -0.18 0.00 0.71 0.00 0.00 52.55 53.70 3jvu s ASP 207 Cb 0.23 0.16 -0.00 0.00 1.01 0.00 0.00 42.92 44.31 3jvu s ASP 207 CO 0.30 -0.07 0.99 0.18 0.21 0.00 0.00 175.17 176.78 3jvu n LEU 208 N 3.46 -0.63 0.00 1.23 4.77 -1.26 -0.17 117.00 124.40 3jvu n LEU 208 Ca -0.18 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3jvu n LEU 208 Cb 0.56 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3jvu n LEU 208 CO 0.22 -0.95 0.40 -0.62 -1.33 0.00 0.00 177.39 175.11 3jvu n GLU 209 N -4.84 0.00 -0.28 3.23 -0.58 -1.26 0.57 120.64 117.48 3jvu n GLU 209 Ca 0.02 0.71 0.10 0.00 -0.42 0.00 0.00 57.16 57.57 3jvu n GLU 209 Cb 0.19 -1.30 0.25 0.00 -0.57 0.00 0.00 31.44 30.00 3jvu n GLU 209 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3jvu h THR 210 N 0.00 0.46 0.51 2.62 2.02 -1.57 0.29 112.91 117.24 3jvu h THR 210 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3jvu h THR 210 Cb 0.00 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3jvu h THR 210 CO 0.00 0.06 -0.25 0.40 0.37 0.00 0.00 175.52 176.10 3jvu h ILE 211 N 0.31 0.00 -0.47 3.11 2.04 -0.22 0.20 117.51 122.48 3jvu h ILE 211 Ca 0.50 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 66.33 3jvu h ILE 211 Cb 0.92 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3jvu h ILE 211 CO -0.55 0.00 -0.28 -1.14 0.00 0.00 0.00 178.15 176.18 3jvu n ARG 212 N -4.04 -0.21 0.08 2.37 0.63 0.19 -0.72 116.66 114.97 3jvu n ARG 212 Ca -0.09 0.93 -0.12 0.00 -0.92 0.00 0.00 57.85 57.66 3jvu n ARG 212 Cb 0.27 -1.38 -0.06 0.00 0.45 0.00 0.00 32.46 31.74 3jvu n ARG 212 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3jvu h LEU 213 N 0.00 -0.28 -0.85 6.15 3.38 -0.93 -2.12 115.31 120.67 3jvu h LEU 213 Ca 0.08 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.29 3jvu h LEU 213 Cb 0.19 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 3jvu h LEU 213 CO -0.44 -0.15 0.14 0.00 0.09 0.00 0.00 178.44 178.08 3jvu h ALA 214 N 0.71 1.10 -0.22 1.53 0.00 0.88 -0.62 119.26 122.64 3jvu h ALA 214 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3jvu h ALA 214 Cb 0.22 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3jvu h ALA 214 CO -0.05 -0.46 0.11 -0.07 0.00 0.00 0.00 179.25 178.78 3jvu h LEU 215 N 0.16 0.28 -1.71 0.00 3.38 -0.27 -2.02 115.31 115.13 3jvu h LEU 215 Ca 0.51 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.40 3jvu h LEU 215 Cb 0.99 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3jvu h LEU 215 CO -0.68 0.30 0.24 0.74 0.09 0.00 0.00 178.44 179.13 3jvu h THR 216 N 0.24 1.04 -0.30 0.22 2.02 -0.72 0.33 112.91 115.74 3jvu h THR 216 Ca 0.08 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3jvu h THR 216 Cb 0.09 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3jvu h THR 216 CO -0.01 0.07 0.11 0.00 0.37 0.00 0.00 175.52 176.06 3jvu h ALA 217 N 1.79 0.39 -0.24 6.16 0.00 -0.66 0.26 119.26 126.95 3jvu h ALA 217 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3jvu h ALA 217 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3jvu h ALA 217 CO -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 3jvu h ALA 218 N 0.95 1.47 0.12 0.00 0.00 -0.42 -2.43 119.26 118.96 3jvu h ALA 218 Ca 0.10 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 3jvu h ALA 218 Cb 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3jvu h ALA 218 CO -0.01 0.37 -1.21 1.49 0.00 0.00 0.00 179.25 179.90 3jvu h GLU 219 N 0.36 0.42 0.00 0.00 4.81 0.22 -3.21 114.58 117.18 3jvu h GLU 219 Ca 0.08 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3jvu h GLU 219 Cb 0.32 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3jvu h GLU 219 CO 0.01 1.26 0.00 0.25 -0.73 0.00 0.00 179.01 179.80 3jvu n THR 220 N -3.67 0.05 0.00 0.32 -2.24 0.84 -4.82 114.28 104.77 3jvu n THR 220 Ca -0.10 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3jvu n THR 220 Cb 0.98 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3jvu n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvu n GLY 221 N 0.95 1.66 3.86 3.38 0.00 -1.21 -5.09 105.19 108.74 3jvu n GLY 221 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3jvu n GLY 221 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jvu s HIS 222 N -1.70 2.78 -0.35 1.61 3.76 -0.92 -4.76 115.29 115.71 3jvu s HIS 222 Ca 0.00 -0.41 -0.13 0.00 -0.15 0.00 0.00 55.06 54.36 3jvu s HIS 222 Cb 0.00 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3jvu s HIS 222 CO 0.00 0.03 0.26 -1.17 -0.85 0.00 0.00 174.74 173.02 3jvu s LEU 223 N -4.05 4.64 -0.11 0.89 2.96 -1.04 0.12 118.68 122.07 3jvu s LEU 223 Ca 0.44 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3jvu s LEU 223 Cb -0.04 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 3jvu s LEU 223 CO 0.27 -0.29 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.12 3jvu s VAL 224 N 1.74 2.38 -0.13 1.68 1.01 -0.23 0.46 120.40 127.31 3jvu s VAL 224 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3jvu s VAL 224 Cb -0.18 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3jvu s VAL 224 CO 0.11 0.55 0.02 -0.36 0.00 0.00 0.00 175.10 175.42 3jvu s PHE 225 N 0.41 3.20 0.36 5.22 0.08 0.41 -0.80 117.98 126.86 3jvu s PHE 225 Ca -0.15 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.02 3jvu s PHE 225 Cb -0.17 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3jvu s PHE 225 CO 0.07 0.30 0.12 0.20 -0.10 0.00 0.00 175.22 175.80 3jvu s GLY 226 N -0.27 2.35 0.14 4.36 0.00 -0.61 -0.73 107.32 112.57 3jvu s GLY 226 Ca 0.07 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 3jvu s GLY 226 CO 0.02 -1.77 0.08 -0.51 0.00 0.00 0.00 173.10 170.92 3jvu s THR 227 N -3.33 0.09 0.00 0.90 -4.23 -1.18 -2.26 115.64 105.64 3jvu s THR 227 Ca 0.29 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3jvu s THR 227 Cb 0.05 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3jvu s THR 227 CO 0.15 -0.42 0.00 0.18 -0.54 0.00 0.00 174.62 173.99 3jvu n LEU 228 N -0.12 0.00 0.00 4.79 4.77 -1.23 -3.13 117.00 122.08 3jvu n LEU 228 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3jvu n LEU 228 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3jvu n LEU 228 CO 0.30 0.00 0.17 1.41 -1.33 0.00 0.00 177.39 177.94 3jvu n HIS 229 N 0.00 0.00 -0.98 -1.77 8.25 -1.25 -3.28 115.22 116.18 3jvu n HIS 229 Ca 0.00 -0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 3jvu n HIS 229 Cb 0.00 -0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 3jvu n HIS 229 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3jvu n THR 230 N -0.02 0.71 -0.38 1.59 -2.24 -1.26 -2.98 114.28 109.70 3jvu n THR 230 Ca 0.00 -0.28 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 3jvu n THR 230 Cb 0.12 -0.65 0.09 0.00 -2.10 0.00 0.00 70.33 67.79 3jvu n THR 230 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3jvu n THR 231 N -3.10 1.33 -3.65 4.28 -2.24 -1.26 -1.69 114.28 107.96 3jvu n THR 231 Ca 0.08 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.38 3jvu n THR 231 Cb 0.52 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3jvu n THR 231 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3jvu s SER 232 N -1.50 -0.77 0.16 3.42 0.15 -1.26 -4.84 113.70 109.05 3jvu s SER 232 Ca 0.17 1.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.90 3jvu s SER 232 Cb 0.13 1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 65.73 3jvu s SER 232 CO 0.05 -0.23 1.55 0.00 1.20 0.00 0.00 173.24 175.80 3jvu h ALA 233 N 5.83 -0.55 -0.43 5.45 0.00 -1.92 1.20 119.26 128.85 3jvu h ALA 233 Ca -0.30 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3jvu h ALA 233 Cb 1.19 1.26 -0.08 0.00 0.00 0.00 0.00 17.79 20.16 3jvu h ALA 233 CO 0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 179.25 178.36 3jvu h ALA 234 N 0.43 0.35 -0.28 0.00 0.00 -1.96 -0.88 119.26 116.91 3jvu h ALA 234 Ca 0.15 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3jvu h ALA 234 Cb 0.49 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3jvu h ALA 234 CO -0.83 -0.42 0.05 0.87 0.00 0.00 0.00 179.25 178.92 3jvu h LYS 235 N 0.05 0.47 -0.33 0.00 1.57 -1.19 -1.94 116.57 115.19 3jvu h LYS 235 Ca 0.21 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3jvu h LYS 235 Cb 0.32 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 3jvu h LYS 235 CO -0.40 0.57 -0.50 1.15 -0.57 0.00 0.00 179.45 179.70 3jvu h THR 236 N 0.29 0.05 0.01 -0.16 2.02 0.19 0.49 112.91 115.80 3jvu h THR 236 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3jvu h THR 236 Cb 0.32 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3jvu h THR 236 CO 0.00 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 176.04 3jvu h ILE 237 N -0.42 0.00 -0.92 3.11 1.08 -0.93 -1.18 117.51 118.25 3jvu h ILE 237 Ca 0.09 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.69 3jvu h ILE 237 Cb 0.61 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.22 3jvu h ILE 237 CO -0.54 0.00 -0.41 0.47 -0.69 0.00 0.00 178.15 176.98 3jvu n ASP 238 N -3.89 -0.69 -0.31 1.72 8.00 -0.75 -0.03 116.55 120.60 3jvu n ASP 238 Ca -0.04 1.62 0.11 0.00 0.71 0.00 0.00 54.79 57.19 3jvu n ASP 238 Cb 0.19 -0.33 0.28 0.00 -0.02 0.00 0.00 41.12 41.23 3jvu n ASP 238 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3jvu h ARG 239 N 0.00 0.51 0.26 -1.24 9.65 0.89 0.30 114.38 124.75 3jvu h ARG 239 Ca 0.28 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 3jvu h ARG 239 Cb 0.51 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3jvu h ARG 239 CO -0.91 0.33 -0.12 0.28 2.80 0.00 0.00 179.97 182.36 3jvu h VAL 240 N 0.52 0.76 -0.27 0.20 2.07 0.71 -3.23 116.25 117.00 3jvu h VAL 240 Ca 0.53 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3jvu h VAL 240 Cb 0.90 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3jvu h VAL 240 CO -0.45 0.14 -0.16 0.58 0.02 0.00 0.00 177.57 177.71 3jvu h VAL 241 N -0.76 1.24 0.00 2.57 2.07 -0.87 -3.25 116.25 117.25 3jvu h VAL 241 Ca -0.04 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3jvu h VAL 241 Cb 0.50 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3jvu h VAL 241 CO 0.06 0.34 0.00 0.44 0.02 0.00 0.00 177.57 178.43 3jvu h ASP 242 N 0.44 0.00 -0.08 0.57 3.32 -0.46 -2.95 116.42 117.26 3jvu h ASP 242 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3jvu h ASP 242 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3jvu h ASP 242 CO 0.03 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.88 3jvu n VAL 243 N -2.32 0.10 -3.89 -1.35 0.24 -1.22 -4.83 118.33 105.06 3jvu n VAL 243 Ca 0.05 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.34 61.80 3jvu n VAL 243 Cb 0.43 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 3jvu n VAL 243 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3jvu s PHE 244 N -1.90 3.57 0.26 6.34 0.08 -1.11 -4.89 117.98 120.33 3jvu s PHE 244 Ca 0.33 0.42 -0.30 0.00 0.12 0.00 0.00 56.93 57.50 3jvu s PHE 244 Cb 0.17 -1.87 -0.14 0.00 -0.57 0.00 0.00 43.02 40.61 3jvu s PHE 244 CO 0.27 0.67 1.19 -0.35 -0.10 0.00 0.00 175.22 176.89 3jvu n PRO 245 N 1.21 1.63 -0.36 0.24 -0.04 -1.26 -4.71 135.00 131.70 3jvu n PRO 245 Ca -0.13 0.58 -0.00 0.00 -0.04 0.00 0.00 63.50 63.90 3jvu n PRO 245 Cb 0.53 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.96 3jvu n PRO 245 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jvu n ALA 246 N 0.91 -0.08 0.00 0.55 0.00 -1.26 0.14 120.51 120.77 3jvu n ALA 246 Ca 0.10 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.50 3jvu n ALA 246 Cb 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3jvu n ALA 246 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jvu n GLU 247 N -5.42 0.00 0.00 0.00 -0.58 -1.26 -1.80 120.64 111.58 3jvu n GLU 247 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3jvu n GLU 247 Cb 0.39 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3jvu n GLU 247 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3jvu n GLU 248 N -0.85 0.39 0.12 3.49 2.13 0.12 -4.88 120.64 121.16 3jvu n GLU 248 Ca 0.00 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.65 3jvu n GLU 248 Cb 0.00 -0.37 -0.06 0.00 0.27 0.00 0.00 31.44 31.28 3jvu n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3jvu h LYS 249 N 0.00 -0.38 -0.44 5.31 1.57 -1.23 -2.82 116.57 118.57 3jvu h LYS 249 Ca 0.00 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3jvu h LYS 249 Cb 0.24 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3jvu h LYS 249 CO 0.00 -0.26 -0.26 0.00 -0.57 0.00 0.00 179.45 178.36 3jvu n ALA 250 N -2.47 -0.28 -0.15 3.86 0.00 -1.26 0.18 120.51 120.38 3jvu n ALA 250 Ca -0.07 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.83 3jvu n ALA 250 Cb 0.24 0.10 0.42 0.00 0.00 0.00 0.00 19.45 20.20 3jvu n ALA 250 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3jvu h MET 251 N 0.00 0.59 0.06 0.00 1.85 -1.89 1.17 114.93 116.70 3jvu h MET 251 Ca 0.07 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 3jvu h MET 251 Cb 0.18 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.08 3jvu h MET 251 CO -0.41 0.39 -0.03 0.28 -0.40 0.00 0.00 176.91 176.74 3jvu h VAL 252 N 0.61 1.22 -0.87 -5.77 2.07 -0.16 -1.77 116.25 111.59 3jvu h VAL 252 Ca 0.31 -1.51 0.09 0.00 0.82 0.00 0.00 66.70 66.41 3jvu h VAL 252 Cb 0.42 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.25 3jvu h VAL 252 CO -0.10 0.35 0.52 -0.09 0.02 0.00 0.00 177.57 178.26 3jvu h ARG 253 N -0.82 0.86 0.78 1.57 2.43 0.28 -0.06 114.38 119.42 3jvu h ARG 253 Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3jvu h ARG 253 Cb 0.63 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3jvu h ARG 253 CO 0.01 0.57 -0.40 1.03 -1.51 0.00 0.00 179.97 179.68 3jvu h SER 254 N 0.88 -0.95 -0.06 -3.80 0.87 0.13 -2.05 113.55 108.58 3jvu h SER 254 Ca 0.41 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 61.02 3jvu h SER 254 Cb 0.32 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3jvu h SER 254 CO -0.23 -0.66 -0.21 0.24 -0.53 0.00 0.00 176.83 175.44 3jvu h MET 255 N -1.08 -0.22 -1.00 2.24 2.86 -0.55 -2.62 114.93 114.57 3jvu h MET 255 Ca -0.11 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 3jvu h MET 255 Cb 0.84 0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.41 3jvu h MET 255 CO 0.16 -0.14 -0.53 1.25 1.06 0.00 0.00 176.91 178.70 3jvu h LEU 256 N -0.22 -1.96 -0.95 1.22 5.85 -1.09 0.75 115.31 118.91 3jvu h LEU 256 Ca 0.01 0.32 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3jvu h LEU 256 Cb 0.26 0.90 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3jvu h LEU 256 CO -0.17 -0.25 0.41 0.77 -0.34 0.00 0.00 178.44 178.86 3jvu h SER 257 N -0.00 0.00 0.00 1.25 4.64 -1.00 0.43 113.55 118.87 3jvu h SER 257 Ca 0.21 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.21 3jvu h SER 257 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 3jvu h SER 257 CO -0.95 0.00 -2.21 -0.62 -0.87 0.00 0.00 176.83 172.18 3jvu n GLU 258 N -2.23 1.06 -0.01 4.77 1.02 0.26 -4.61 120.64 120.90 3jvu n GLU 258 Ca -0.01 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3jvu n GLU 258 Cb 0.43 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.28 3jvu n GLU 258 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3jvu n SER 259 N -2.72 0.78 -4.64 1.62 3.41 -0.09 -4.93 113.62 107.05 3jvu n SER 259 Ca -0.30 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.53 3jvu n SER 259 Cb 1.05 1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 66.50 3jvu n SER 259 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3jvu s LEU 260 N -3.74 4.08 -0.18 1.04 2.96 0.13 0.21 118.68 123.18 3jvu s LEU 260 Ca -0.02 2.12 0.17 0.00 -0.22 0.00 0.00 54.13 56.19 3jvu s LEU 260 Cb 0.13 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 43.04 3jvu s LEU 260 CO 0.76 -1.24 0.16 0.00 -1.32 0.00 0.00 176.35 174.71 3jvu n GLN 261 N 7.69 0.68 0.00 1.98 1.13 0.46 -4.50 117.38 124.81 3jvu n GLN 261 Ca 0.21 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 3jvu n GLN 261 Cb 0.43 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3jvu n GLN 261 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jvu n SER 262 N -2.80 0.00 -4.11 1.08 2.88 -1.08 -0.50 113.62 109.09 3jvu n SER 262 Ca -0.31 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 56.95 3jvu n SER 262 Cb 1.14 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.43 3jvu n SER 262 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3jvu s VAL 263 N -1.99 1.56 -0.20 2.46 1.01 0.78 -1.57 120.40 122.44 3jvu s VAL 263 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3jvu s VAL 263 Cb 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 35.04 3jvu s VAL 263 CO 0.00 0.45 -0.11 -0.63 0.00 0.00 0.00 175.10 174.81 3jvu s ILE 264 N 0.54 1.71 -0.13 2.22 1.01 0.48 -1.06 121.20 125.97 3jvu s ILE 264 Ca -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 3jvu s ILE 264 Cb -0.17 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3jvu s ILE 264 CO 0.06 0.20 0.03 -0.44 0.00 0.00 0.00 174.94 174.79 3jvu s SER 265 N 1.37 5.40 0.39 3.58 0.01 -0.67 0.38 113.70 124.16 3jvu s SER 265 Ca -0.01 0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.42 3jvu s SER 265 Cb -0.16 -1.73 -0.06 0.00 0.21 0.00 0.00 66.02 64.28 3jvu s SER 265 CO -0.08 0.29 0.03 -1.58 0.41 0.00 0.00 173.24 172.31 3jvu s GLN 266 N -0.33 1.87 -0.27 12.44 0.74 -0.85 0.42 119.66 133.67 3jvu s GLN 266 Ca 0.08 -2.07 -0.27 0.00 0.05 0.00 0.00 55.36 53.14 3jvu s GLN 266 Cb -0.12 -1.29 0.17 0.00 1.10 0.00 0.00 33.01 32.87 3jvu s GLN 266 CO 0.02 -0.15 1.29 -0.08 -0.55 0.00 0.00 175.29 175.81 3jvu s THR 267 N -2.97 0.00 0.03 -0.34 -1.32 -0.42 -4.64 115.64 105.99 3jvu s THR 267 Ca 0.32 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.70 3jvu s THR 267 Cb 0.08 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 3jvu s THR 267 CO 0.16 0.00 0.35 -0.76 -2.21 0.00 0.00 174.62 172.16 3jvu s LEU 268 N -0.53 4.38 0.02 9.08 1.02 -1.26 0.10 118.68 131.49 3jvu s LEU 268 Ca 0.06 0.75 0.02 0.00 0.02 0.00 0.00 54.13 54.98 3jvu s LEU 268 Cb -0.03 -2.78 -0.02 0.00 0.02 0.00 0.00 46.19 43.39 3jvu s LEU 268 CO -0.09 0.24 -0.07 -0.63 0.02 0.00 0.00 176.35 175.82 3jvu s ILE 269 N -1.29 0.51 -0.36 -0.59 1.01 0.07 -4.93 121.20 115.62 3jvu s ILE 269 Ca 0.29 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 3jvu s ILE 269 Cb -0.14 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 3jvu s ILE 269 CO 0.16 -0.17 1.91 -0.54 0.00 0.00 0.00 174.94 176.29 3jvu s LYS 270 N -1.00 3.13 -0.03 2.79 1.02 -1.26 0.84 119.74 125.23 3jvu s LYS 270 Ca -0.05 1.40 -0.30 0.00 0.02 0.00 0.00 55.97 57.04 3jvu s LYS 270 Cb -0.07 -4.27 -0.07 0.00 -0.52 0.00 0.00 37.83 32.90 3jvu s LYS 270 CO 0.00 -2.11 1.92 0.21 -0.92 0.00 0.00 175.35 174.45 3jvu s LYS 271 N 6.12 3.99 -0.89 1.68 2.20 -0.46 -4.77 119.74 127.61 3jvu s LYS 271 Ca 0.82 2.38 -0.31 0.00 -0.36 0.00 0.00 55.97 58.50 3jvu s LYS 271 Cb -0.22 -4.15 -0.20 0.00 -1.51 0.00 0.00 37.83 31.75 3jvu s LYS 271 CO 0.32 -1.11 2.62 -0.89 -0.36 0.00 0.00 175.35 175.92 3jvu n ILE 272 N 5.90 -0.01 0.00 5.43 -0.00 -1.26 -0.41 119.36 129.01 3jvu n ILE 272 Ca 0.21 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 3jvu n ILE 272 Cb 0.42 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.22 3jvu n ILE 272 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3jvu n GLY 273 N 6.48 1.54 0.00 7.39 0.00 -1.26 -5.01 105.19 114.33 3jvu n GLY 273 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3jvu n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvu n GLY 274 N -1.31 3.00 6.38 -0.02 0.00 0.46 -5.11 105.19 108.59 3jvu n GLY 274 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3jvu n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvu n GLY 275 N 0.16 -0.94 3.57 -0.02 0.00 -1.26 -4.15 105.19 102.55 3jvu n GLY 275 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 3jvu n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvu s ARG 276 N 0.00 0.72 0.05 1.61 0.52 -1.26 -1.35 118.95 119.24 3jvu s ARG 276 Ca 0.00 0.27 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 3jvu s ARG 276 Cb 0.00 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 3jvu s ARG 276 CO 0.00 -0.21 -0.11 0.54 0.02 0.00 0.00 175.30 175.54 3jvu s VAL 277 N -0.91 0.87 0.04 3.52 0.11 0.25 -4.71 120.40 119.56 3jvu s VAL 277 Ca -0.04 -1.10 -0.19 0.00 -2.93 0.00 0.00 61.98 57.73 3jvu s VAL 277 Cb -0.01 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 3jvu s VAL 277 CO 0.03 -0.21 0.56 0.00 -3.33 0.00 0.00 175.10 172.15 3jvu s ALA 278 N -1.15 3.57 -0.12 1.54 0.00 -1.26 -0.75 121.76 123.59 3jvu s ALA 278 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 3jvu s ALA 278 Cb -0.09 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 3jvu s ALA 278 CO 0.01 0.33 -0.09 0.00 0.00 0.00 0.00 175.76 176.01 3jvu s ALA 279 N -0.79 2.83 -0.10 0.00 0.00 0.11 -4.94 121.76 118.88 3jvu s ALA 279 Ca 0.29 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3jvu s ALA 279 Cb -0.19 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3jvu s ALA 279 CO 0.18 0.32 -0.21 -1.01 0.00 0.00 0.00 175.76 175.03 3jvu s HIS 280 N 0.06 2.61 -0.12 0.00 3.76 -1.26 -1.30 115.29 119.04 3jvu s HIS 280 Ca -0.03 -0.88 -0.19 0.00 -0.15 0.00 0.00 55.06 53.81 3jvu s HIS 280 Cb -0.14 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 3jvu s HIS 280 CO 0.04 -0.32 0.54 -2.00 -0.85 0.00 0.00 174.74 172.14 3jvu s GLU 281 N 0.24 4.34 -0.14 1.40 2.12 0.17 -4.57 118.70 122.26 3jvu s GLU 281 Ca -0.14 0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.76 3jvu s GLU 281 Cb -0.17 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.78 3jvu s GLU 281 CO 0.07 0.09 -0.20 0.42 -0.54 0.00 0.00 175.26 175.11 3jvu s ILE 282 N 0.81 1.89 -0.09 -3.70 1.01 -0.53 -1.67 121.20 118.93 3jvu s ILE 282 Ca 0.28 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3jvu s ILE 282 Cb -0.16 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3jvu s ILE 282 CO 0.12 0.52 -0.13 -0.32 0.00 0.00 0.00 174.94 175.12 3jvu s MET 283 N 0.93 1.95 -0.02 2.79 1.75 -0.22 -0.73 119.30 125.75 3jvu s MET 283 Ca -0.05 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 3jvu s MET 283 Cb -0.15 -1.67 -0.03 0.00 2.84 0.00 0.00 34.83 35.82 3jvu s MET 283 CO -0.03 -0.04 -0.09 0.42 -0.65 0.00 0.00 175.02 174.63 3jvu s ILE 284 N 0.92 3.51 0.36 10.11 1.01 -1.26 -0.16 121.20 135.69 3jvu s ILE 284 Ca -0.09 -0.73 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 3jvu s ILE 284 Cb -0.15 -2.48 -0.12 0.00 0.01 0.00 0.00 42.46 39.72 3jvu s ILE 284 CO 0.00 0.47 1.14 0.61 0.00 0.00 0.00 174.94 177.16 3jvu n GLY 285 N 1.82 0.16 3.44 6.18 0.00 0.35 -4.92 105.19 112.22 3jvu n GLY 285 Ca -0.16 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3jvu n GLY 285 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jvu s THR 286 N -1.15 -0.38 0.12 2.61 -1.32 -1.26 -5.01 115.64 109.25 3jvu s THR 286 Ca 0.59 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.04 3jvu s THR 286 Cb -0.59 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 69.59 3jvu s THR 286 CO 0.60 0.00 0.64 -2.65 -2.21 0.00 0.00 174.62 171.00 3jvu n PRO 287 N 4.70 -0.04 0.33 7.08 -0.02 -1.26 0.15 135.00 145.95 3jvu n PRO 287 Ca -0.11 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 3jvu n PRO 287 Cb 0.54 -0.96 -0.09 0.00 -0.02 0.00 0.00 33.50 32.97 3jvu n PRO 287 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jvu h ALA 288 N 0.82 -0.94 -0.73 3.55 0.00 -1.99 -2.78 119.26 117.19 3jvu h ALA 288 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3jvu h ALA 288 Cb 0.32 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3jvu h ALA 288 CO -0.42 -1.05 0.43 0.82 0.00 0.00 0.00 179.25 179.03 3jvu h ILE 289 N -0.92 1.21 -0.49 0.00 2.04 0.11 -2.08 117.51 117.37 3jvu h ILE 289 Ca -0.07 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3jvu h ILE 289 Cb 0.75 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 3jvu h ILE 289 CO 0.06 0.22 -0.39 0.03 0.00 0.00 0.00 178.15 178.07 3jvu h ARG 290 N 1.00 -0.12 -0.19 2.37 2.47 -0.58 -0.54 114.38 118.78 3jvu h ARG 290 Ca 0.26 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.02 3jvu h ARG 290 Cb -0.02 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 3jvu h ARG 290 CO -0.05 -0.08 -0.38 -0.91 0.56 0.00 0.00 179.97 179.11 3jvu h ASN 291 N -0.13 -1.24 -0.74 7.04 4.21 -1.12 0.27 115.58 123.88 3jvu h ASN 291 Ca 0.08 0.16 0.27 0.00 1.21 0.00 0.00 56.30 58.02 3jvu h ASN 291 Cb 0.34 0.50 -0.09 0.00 -1.12 0.00 0.00 38.32 37.94 3jvu h ASN 291 CO -0.53 -0.30 0.45 0.18 -1.29 0.00 0.00 177.43 175.94 3jvu n LEU 292 N -4.53 0.16 -0.03 1.61 4.77 -0.82 0.14 117.00 118.29 3jvu n LEU 292 Ca -0.03 0.90 -0.01 0.00 -0.03 0.00 0.00 56.01 56.84 3jvu n LEU 292 Cb 0.25 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3jvu n LEU 292 CO 0.03 -0.99 -0.05 0.40 -1.33 0.00 0.00 177.39 175.45 3jvu h ILE 293 N 0.00 0.00 -0.58 -0.08 2.04 0.10 -2.62 117.51 116.37 3jvu h ILE 293 Ca 0.52 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.86 3jvu h ILE 293 Cb 1.57 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.54 3jvu h ILE 293 CO -0.35 0.00 -0.37 -0.09 0.00 0.00 0.00 178.15 177.33 3jvu h ARG 294 N -0.62 -0.18 -7.18 2.37 2.43 0.13 -3.34 114.38 107.98 3jvu h ARG 294 Ca 0.00 0.01 -0.40 0.00 -0.81 0.00 0.00 59.98 58.79 3jvu h ARG 294 Cb 0.07 0.04 0.21 0.00 -0.42 0.00 0.00 29.97 29.87 3jvu h ARG 294 CO 0.00 -0.12 -0.01 -1.21 -1.51 0.00 0.00 179.97 177.11 3jvu s GLU 295 N -5.94 -2.22 0.00 0.20 2.02 0.12 -4.73 118.70 108.15 3jvu s GLU 295 Ca -0.14 0.07 0.22 0.00 0.02 0.00 0.00 54.97 55.13 3jvu s GLU 295 Cb 0.15 -1.47 0.27 0.00 0.10 0.00 0.00 34.13 33.18 3jvu s GLU 295 CO 0.68 -4.40 1.26 -3.47 0.02 0.00 0.00 175.26 169.35 3jvu n ASP 296 N -5.28 3.05 -2.13 -0.19 2.03 -1.25 -4.71 116.55 108.06 3jvu n ASP 296 Ca 0.13 -1.93 -0.08 0.00 0.52 0.00 0.00 54.79 53.42 3jvu n ASP 296 Cb 0.60 -0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.79 3jvu n ASP 296 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3jvu n LYS 297 N 1.30 1.35 0.21 -0.67 4.76 -1.00 -4.35 118.16 119.76 3jvu n LYS 297 Ca 0.15 -0.66 0.06 0.00 -2.87 0.00 0.00 58.31 54.99 3jvu n LYS 297 Cb 0.56 -1.82 0.45 0.00 -1.84 0.00 0.00 35.03 32.38 3jvu n LYS 297 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3jvu h VAL 298 N 2.27 0.95 -0.38 -0.18 3.04 -1.81 -3.10 116.25 117.04 3jvu h VAL 298 Ca 0.13 -1.15 0.03 0.00 -1.01 0.00 0.00 66.70 64.70 3jvu h VAL 298 Cb 1.04 1.67 -0.05 0.00 -2.01 0.00 0.00 31.29 31.94 3jvu h VAL 298 CO 0.30 0.30 -0.23 0.00 -1.01 0.00 0.00 177.57 176.93 3jvu h ALA 299 N 1.70 -0.22 0.00 3.17 0.00 -1.90 -1.32 119.26 120.69 3jvu h ALA 299 Ca -0.00 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3jvu h ALA 299 Cb 0.65 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3jvu h ALA 299 CO 0.04 -0.38 1.09 1.04 0.00 0.00 0.00 179.25 181.04 3jvu n GLN 300 N -3.87 1.13 -0.12 0.00 6.02 -1.17 -3.72 117.38 115.65 3jvu n GLN 300 Ca 0.01 -0.77 -0.23 0.00 -0.01 0.00 0.00 57.00 55.99 3jvu n GLN 300 Cb 0.10 -1.99 -0.09 0.00 1.02 0.00 0.00 30.24 29.27 3jvu n GLN 300 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3jvu n MET 301 N 3.57 0.53 -0.22 -1.09 1.56 -0.50 -4.43 117.12 116.55 3jvu n MET 301 Ca 0.24 0.20 -0.07 0.00 -0.27 0.00 0.00 57.70 57.80 3jvu n MET 301 Cb 0.24 -1.40 -0.06 0.00 2.15 0.00 0.00 33.22 34.15 3jvu n MET 301 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 3jvu h TYR 302 N -0.62 -1.12 -0.33 1.12 -0.00 -1.80 0.84 116.97 115.06 3jvu h TYR 302 Ca -0.59 0.07 0.03 0.00 -0.00 0.00 0.00 58.73 58.24 3jvu h TYR 302 Cb 1.62 0.56 -0.02 0.00 -0.00 0.00 0.00 36.73 38.89 3jvu h TYR 302 CO -0.05 -0.24 0.22 0.66 -0.00 0.00 0.00 178.16 178.76 3jvu h SER 303 N -0.05 0.28 -0.42 -2.11 4.64 -1.88 0.26 113.55 114.27 3jvu h SER 303 Ca 0.09 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.45 3jvu h SER 303 Cb 0.27 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3jvu h SER 303 CO -0.53 0.20 0.17 0.00 -0.87 0.00 0.00 176.83 175.80 3jvu h ALA 304 N 1.81 0.51 -0.52 5.18 0.00 -1.11 -1.75 119.26 123.37 3jvu h ALA 304 Ca 0.14 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3jvu h ALA 304 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jvu h ALA 304 CO -0.03 -0.21 -0.09 0.82 0.00 0.00 0.00 179.25 179.75 3jvu h ILE 305 N 0.35 1.26 0.00 0.00 2.04 0.89 -1.84 117.51 120.22 3jvu h ILE 305 Ca 0.19 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3jvu h ILE 305 Cb 0.15 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3jvu h ILE 305 CO -0.17 0.43 -0.14 1.56 0.00 0.00 0.00 178.15 179.82 3jvu h GLN 306 N 0.86 0.00 -0.15 2.37 4.20 -0.58 0.12 115.11 121.94 3jvu h GLN 306 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3jvu h GLN 306 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3jvu h GLN 306 CO 0.04 0.14 0.00 0.25 -0.67 0.00 0.00 178.83 178.59 3jvu n THR 307 N -4.11 0.17 1.81 -0.54 -2.24 -0.71 -4.12 114.28 104.53 3jvu n THR 307 Ca -0.02 -0.58 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3jvu n THR 307 Cb 0.22 1.33 0.68 0.00 -2.10 0.00 0.00 70.33 70.45 3jvu n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvu n GLY 308 N 1.41 -0.65 2.42 3.38 0.00 0.43 -5.08 105.19 107.09 3jvu n GLY 308 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 3jvu n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvu n GLY 309 N 0.98 -0.11 0.51 -0.02 0.00 -1.24 -2.60 105.19 102.71 3jvu n GLY 309 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3jvu n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvu n GLY 312 N 3.69 0.80 3.74 -0.02 0.00 -1.26 -4.97 105.19 107.16 3jvu n GLY 312 Ca 0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3jvu n GLY 312 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jvu s MET 313 N -1.52 1.18 -0.27 1.61 1.00 -1.07 -4.91 119.30 115.31 3jvu s MET 313 Ca 0.08 0.59 -0.25 0.00 0.00 0.00 0.00 55.69 56.11 3jvu s MET 313 Cb 0.06 -1.82 0.11 0.00 0.00 0.00 0.00 34.83 33.18 3jvu s MET 313 CO 0.04 -2.23 0.96 1.14 0.00 0.00 0.00 175.02 174.92 3jvu s GLN 314 N -5.06 0.58 0.65 2.03 -2.07 0.09 -4.87 119.66 111.01 3jvu s GLN 314 Ca 0.63 0.67 -0.16 0.00 -1.82 0.00 0.00 55.36 54.68 3jvu s GLN 314 Cb -0.17 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 3jvu s GLN 314 CO 0.56 -0.07 1.16 0.99 -1.32 0.00 0.00 175.29 176.60 3jvu s THR 315 N 0.21 2.85 0.06 3.63 2.01 -1.26 -1.45 115.64 121.69 3jvu s THR 315 Ca 0.02 0.45 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 3jvu s THR 315 Cb -0.05 -3.04 -0.17 0.00 0.01 0.00 0.00 72.50 69.26 3jvu s THR 315 CO -0.04 -0.20 1.60 0.25 -0.69 0.00 0.00 174.62 175.54 3jvu h LEU 316 N 0.29 -0.32 -0.48 4.42 5.85 -1.93 -0.93 115.31 122.21 3jvu h LEU 316 Ca -0.48 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.29 3jvu h LEU 316 Cb 1.27 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 3jvu h LEU 316 CO 0.53 -0.17 -0.04 0.44 -0.34 0.00 0.00 178.44 178.87 3jvu h ASP 317 N -0.46 -0.28 -0.55 1.25 5.19 -1.92 0.31 116.42 119.95 3jvu h ASP 317 Ca -0.04 0.12 0.11 0.00 -0.62 0.00 0.00 57.03 56.61 3jvu h ASP 317 Cb 0.35 0.23 -0.11 0.00 0.18 0.00 0.00 39.33 39.98 3jvu h ASP 317 CO 0.06 -0.10 -0.16 -0.03 -3.12 0.00 0.00 179.24 175.90 3jvu h MET 318 N 0.08 -0.02 -0.38 3.56 4.05 -1.89 0.02 114.93 120.35 3jvu h MET 318 Ca 0.24 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.69 3jvu h MET 318 Cb 0.36 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 3jvu h MET 318 CO -0.43 -0.02 0.18 0.00 0.23 0.00 0.00 176.91 176.88 3jvu h LEU 320 N 0.37 -0.84 -0.93 0.00 3.38 0.14 -1.60 115.31 115.84 3jvu h LEU 320 Ca 0.16 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.49 3jvu h LEU 320 Cb 0.08 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 40.99 3jvu h LEU 320 CO -0.12 -0.23 0.13 0.07 0.09 0.00 0.00 178.44 178.38 3jvu h LYS 321 N -0.27 0.08 -0.90 1.13 2.10 -1.30 2.47 116.57 119.87 3jvu h LYS 321 Ca 0.02 -0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.96 3jvu h LYS 321 Cb 0.32 -0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 31.47 3jvu h LYS 321 CO -0.22 0.05 0.20 0.41 -2.00 0.00 0.00 179.45 177.89 3jvu n GLY 322 N -1.43 -1.02 0.00 0.07 0.00 -0.61 -5.10 105.19 97.10 3jvu n GLY 322 Ca 0.23 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3jvu n GLY 322 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jvu n LEU 323 N -5.22 0.00 -2.66 0.99 4.77 0.83 -5.14 117.00 110.57 3jvu n LEU 323 Ca 0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 3jvu n LEU 323 Cb 0.88 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.92 3jvu n LEU 323 CO -0.04 0.00 0.46 -0.24 -1.33 0.00 0.00 177.39 176.24 3jvu n SER 330 N 0.00 0.27 0.00 -1.43 2.88 -1.26 -5.13 113.62 108.95 3jvu n SER 330 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 3jvu n SER 330 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 3jvu n SER 330 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3jvu n ARG 331 N 1.44 0.00 -0.32 -1.46 1.74 -1.26 -1.79 116.66 115.00 3jvu n ARG 331 Ca 0.14 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 3jvu n ARG 331 Cb 0.01 -0.76 0.41 0.00 -1.02 0.00 0.00 32.46 31.11 3jvu n ARG 331 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3jvu h GLU 332 N 0.00 0.57 -0.89 5.56 5.08 -1.99 0.18 114.58 123.09 3jvu h GLU 332 Ca 0.00 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 3jvu h GLU 332 Cb 0.00 -0.13 -0.16 0.00 0.50 0.00 0.00 28.75 28.96 3jvu h GLU 332 CO 0.00 0.38 -0.27 -0.97 -1.00 0.00 0.00 179.01 177.14 3jvu h ASN 333 N 0.59 -1.00 0.02 1.42 -0.00 -2.00 -2.30 115.58 112.30 3jvu h ASN 333 Ca 0.57 0.28 -0.00 0.00 -0.00 0.00 0.00 56.30 57.14 3jvu h ASN 333 Cb 1.13 0.61 0.00 0.00 -0.00 0.00 0.00 38.32 40.06 3jvu h ASN 333 CO -0.33 -0.30 -0.01 0.00 -0.00 0.00 0.00 177.43 176.80 3jvu h ALA 334 N 1.69 -0.05 0.00 1.57 0.00 0.12 -3.27 119.26 119.32 3jvu h ALA 334 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3jvu h ALA 334 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jvu h ALA 334 CO -0.92 -0.05 0.33 0.54 0.00 0.00 0.00 179.25 179.16 3jvu n ARG 335 N -2.97 0.01 0.09 0.00 1.74 -0.59 0.92 116.66 115.86 3jvu n ARG 335 Ca -0.00 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.47 3jvu n ARG 335 Cb 0.01 -0.93 0.45 0.00 -1.02 0.00 0.00 32.46 30.97 3jvu n ARG 335 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3jvu n GLU 336 N -1.04 0.20 -0.08 5.56 2.13 -0.87 -3.39 120.64 123.15 3jvu n GLU 336 Ca 0.00 0.25 0.02 0.00 0.66 0.00 0.00 57.16 58.09 3jvu n GLU 336 Cb 0.33 -1.77 0.07 0.00 0.27 0.00 0.00 31.44 30.34 3jvu n GLU 336 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3jvu n LYS 337 N -2.13 2.94 -1.17 5.31 5.02 5.64 -5.04 118.16 128.73 3jvu n LYS 337 Ca 0.05 -1.74 -0.31 0.00 -2.02 0.00 0.00 58.31 54.29 3jvu n LYS 337 Cb 0.35 -1.12 0.11 0.00 -0.02 0.00 0.00 35.03 34.35 3jvu n LYS 337 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jvu s ALA 338 N -1.01 2.09 -0.48 7.82 0.00 -1.21 -4.90 121.76 124.07 3jvu s ALA 338 Ca 0.10 0.29 0.23 0.00 0.00 0.00 0.00 51.96 52.58 3jvu s ALA 338 Cb 0.05 -3.29 0.19 0.00 0.00 0.00 0.00 23.12 20.07 3jvu s ALA 338 CO 0.07 -1.95 1.20 -0.22 0.00 0.00 0.00 175.76 174.85 3jvu h LYS 339 N -1.27 0.00 -2.27 0.00 3.64 -1.96 -3.41 116.57 111.30 3jvu h LYS 339 Ca -0.44 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.46 3jvu h LYS 339 Cb 1.24 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.71 3jvu h LYS 339 CO 0.50 0.00 -0.79 0.42 -2.27 0.00 0.00 179.45 177.32 3jvu s ILE 340 N -3.24 -0.07 0.79 2.00 -1.09 -1.26 -5.15 121.20 113.17 3jvu s ILE 340 Ca 0.03 -1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 56.83 3jvu s ILE 340 Cb 0.12 -0.91 -0.03 0.00 -1.58 0.00 0.00 42.46 40.06 3jvu s ILE 340 CO 0.75 -0.82 0.43 -2.65 -1.23 0.00 0.00 174.94 171.41 3jvu n PRO 341 N 4.00 0.14 0.00 2.79 -0.02 -1.26 -5.11 135.00 135.53 3jvu n PRO 341 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3jvu n PRO 341 Cb 0.42 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3jvu n PRO 341 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63