#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvu s ARG 6 N 0.00 1.78 -0.17 0.03 1.70 -1.26 -5.07 118.95 115.96 3kvu s ARG 6 Ca 0.00 -0.52 -0.38 0.00 -0.47 0.00 0.00 55.73 54.35 3kvu s ARG 6 Cb 0.00 -2.00 -0.18 0.00 -0.57 0.00 0.00 34.95 32.20 3kvu s ARG 6 CO 0.00 -0.34 1.14 0.28 -1.08 0.00 0.00 175.30 175.30 3kvu n VAL 7 N 4.83 0.00 0.00 4.99 0.31 -1.26 0.08 118.33 127.28 3kvu n VAL 7 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3kvu n VAL 7 Cb 0.49 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3kvu n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvu n GLY 8 N 2.20 1.00 3.72 2.92 0.00 0.53 -4.99 105.19 110.57 3kvu n GLY 8 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kvu n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kvu s GLU 9 N -0.69 4.21 0.42 1.61 2.12 0.11 -4.68 118.70 121.80 3kvu s GLU 9 Ca 0.00 2.38 0.07 0.00 0.36 0.00 0.00 54.97 57.79 3kvu s GLU 9 Cb 0.00 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3kvu s GLU 9 CO 0.00 -0.60 0.57 1.03 -0.54 0.00 0.00 175.26 175.72 3kvu s ARG 10 N 0.92 2.86 0.14 4.30 0.52 -1.26 0.09 118.95 126.53 3kvu s ARG 10 Ca 0.69 -1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 54.58 3kvu s ARG 10 Cb -0.44 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 32.31 3kvu s ARG 10 CO 0.33 -0.25 0.42 0.12 0.02 0.00 0.00 175.30 175.94 3kvu s PHE 11 N -2.35 -0.15 -0.01 -0.53 2.19 -0.92 -4.91 117.98 111.30 3kvu s PHE 11 Ca 0.53 -0.18 -0.10 0.00 0.33 0.00 0.00 56.93 57.51 3kvu s PHE 11 Cb -0.10 0.26 0.01 0.00 -1.31 0.00 0.00 43.02 41.89 3kvu s PHE 11 CO 0.33 -0.75 0.20 0.99 1.83 0.00 0.00 175.22 177.83 3kvu s THR 12 N -3.83 0.07 -0.26 0.12 2.01 -1.26 -0.72 115.64 111.76 3kvu s THR 12 Ca 0.05 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 3kvu s THR 12 Cb 0.01 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.11 3kvu s THR 12 CO -0.09 -0.31 0.67 -2.28 -0.69 0.00 0.00 174.62 171.91 3kvu s HIS 13 N -1.27 -0.94 -0.02 4.92 5.04 0.48 -4.99 115.29 118.52 3kvu s HIS 13 Ca -0.13 1.98 0.04 0.00 -1.54 0.00 0.00 55.06 55.41 3kvu s HIS 13 Cb -0.06 0.50 -0.03 0.00 0.04 0.00 0.00 32.58 33.02 3kvu s HIS 13 CO 0.02 -0.47 -0.11 -0.51 -2.34 0.00 0.00 174.74 171.33 3kvu s ASP 14 N 1.25 4.27 -0.18 9.88 1.01 -1.26 0.16 116.67 131.80 3kvu s ASP 14 Ca -0.07 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 52.94 3kvu s ASP 14 Cb -0.05 -0.92 0.09 0.00 1.01 0.00 0.00 42.92 43.04 3kvu s ASP 14 CO -0.13 0.31 0.34 0.12 0.21 0.00 0.00 175.17 176.02 3kvu s PHE 15 N -0.87 -0.63 -0.36 4.23 5.36 0.11 -4.98 117.98 120.84 3kvu s PHE 15 Ca 0.14 1.14 -0.29 0.00 -0.96 0.00 0.00 56.93 56.96 3kvu s PHE 15 Cb -0.11 0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.66 3kvu s PHE 15 CO 0.04 -0.48 1.57 0.08 -1.46 0.00 0.00 175.22 174.98 3kvu s VAL 16 N 2.51 3.73 -0.18 3.12 1.01 -1.26 0.75 120.40 130.07 3kvu s VAL 16 Ca 0.02 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 3kvu s VAL 16 Cb -0.13 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3kvu s VAL 16 CO -0.12 -0.58 2.03 -0.69 0.00 0.00 0.00 175.10 175.75 3kvu s VAL 17 N 5.95 3.16 0.78 2.92 1.01 -0.18 -4.94 120.40 129.10 3kvu s VAL 17 Ca 0.69 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 3kvu s VAL 17 Cb -0.18 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.08 3kvu s VAL 17 CO 0.33 -0.10 1.14 -2.16 0.00 0.00 0.00 175.10 174.31 3kvu s PRO 18 N 5.66 2.10 0.03 2.72 0.04 -1.26 -1.44 135.00 142.85 3kvu s PRO 18 Ca 0.92 0.08 0.17 0.00 0.04 0.00 0.00 61.00 62.20 3kvu s PRO 18 Cb -0.32 -2.00 0.72 0.00 0.04 0.00 0.00 34.50 32.93 3kvu s PRO 18 CO 0.35 -1.47 1.54 -2.30 0.04 0.00 0.00 177.00 175.16 3kvu n PRO 19 N -3.21 0.02 -0.63 0.56 -0.02 -1.26 -3.28 135.00 127.18 3kvu n PRO 19 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3kvu n PRO 19 Cb 0.60 -1.54 0.23 0.00 -0.02 0.00 0.00 33.50 32.78 3kvu n PRO 19 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3kvu n HIS 20 N -1.57 1.49 -1.16 6.00 1.44 -1.26 -3.84 115.22 116.31 3kvu n HIS 20 Ca 0.04 -0.66 0.01 0.00 -2.01 0.00 0.00 57.72 55.10 3kvu n HIS 20 Cb 0.20 -0.44 0.24 0.00 0.12 0.00 0.00 29.99 30.11 3kvu n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kvu n LYS 21 N 0.20 2.67 -3.31 -1.40 4.76 -1.21 -4.75 118.16 115.13 3kvu n LYS 21 Ca 0.22 -3.00 -0.32 0.00 -2.87 0.00 0.00 58.31 52.34 3kvu n LYS 21 Cb 0.95 -1.91 -0.05 0.00 -1.84 0.00 0.00 35.03 32.18 3kvu n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kvu s THR 22 N -3.01 4.85 0.04 -0.18 -4.23 -1.25 -1.13 115.64 110.73 3kvu s THR 22 Ca 0.46 0.61 0.01 0.00 -1.18 0.00 0.00 61.69 61.58 3kvu s THR 22 Cb 0.38 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.65 3kvu s THR 22 CO 0.07 -0.13 0.18 0.52 -0.54 0.00 0.00 174.62 174.72 3kvu n VAL 23 N -0.28 -0.05 0.53 2.29 0.31 -1.20 -0.14 118.33 119.80 3kvu n VAL 23 Ca 0.01 0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.71 3kvu n VAL 23 Cb 0.53 -0.37 0.26 0.00 -0.91 0.00 0.00 33.84 33.35 3kvu n VAL 23 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kvu h ARG 24 N 0.00 0.00 0.00 5.55 0.11 -1.87 -3.00 114.38 115.18 3kvu h ARG 24 Ca 0.08 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.03 3kvu h ARG 24 Cb 0.20 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 3kvu h ARG 24 CO -0.10 0.00 -1.02 0.45 0.10 0.00 0.00 179.97 179.40 3kvu h HIS 25 N 0.00 0.00 -0.71 4.08 3.86 -0.83 -2.23 115.15 119.32 3kvu h HIS 25 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kvu h HIS 25 Cb 0.79 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 3kvu h HIS 25 CO 0.00 0.50 0.43 1.25 0.86 0.00 0.00 177.93 180.97 3kvu h LEU 26 N 0.00 0.86 -6.43 2.43 5.85 -1.34 -3.37 115.31 113.31 3kvu h LEU 26 Ca -0.09 -0.07 -0.59 0.00 0.84 0.00 0.00 57.88 57.97 3kvu h LEU 26 Cb 1.46 -0.22 -0.38 0.00 0.37 0.00 0.00 40.66 41.89 3kvu h LEU 26 CO 0.05 0.67 -0.94 -0.31 -0.34 0.00 0.00 178.44 177.57 3kvu s TYR 27 N -5.97 1.28 0.62 1.25 2.02 -1.21 -4.96 117.35 110.38 3kvu s TYR 27 Ca -0.13 -2.40 0.26 0.00 -0.37 0.00 0.00 57.07 54.43 3kvu s TYR 27 Cb 0.14 -1.06 1.29 0.00 -0.40 0.00 0.00 41.96 41.93 3kvu s TYR 27 CO 0.78 -0.81 1.72 -1.35 -1.57 0.00 0.00 175.55 174.33 3kvu h PRO 28 N 5.64 0.00 -0.01 -1.71 0.11 -1.57 -2.12 132.00 132.34 3kvu h PRO 28 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3kvu h PRO 28 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3kvu h PRO 28 CO 0.40 0.00 -0.10 -0.85 -0.21 0.00 0.00 178.00 177.24 3kvu n GLU 29 N -3.34 1.13 -3.22 1.05 0.00 -1.26 -4.78 120.64 110.21 3kvu n GLU 29 Ca 0.08 -0.56 -0.43 0.00 0.00 0.00 0.00 57.16 56.25 3kvu n GLU 29 Cb 0.80 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.67 3kvu n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kvu s SER 30 N -2.26 6.24 0.19 -1.84 0.15 -0.80 -4.95 113.70 110.43 3kvu s SER 30 Ca 0.33 -0.60 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 3kvu s SER 30 Cb 0.20 -2.27 0.21 0.00 -1.71 0.00 0.00 66.02 62.45 3kvu s SER 30 CO 0.43 -0.70 1.68 -0.65 1.20 0.00 0.00 173.24 175.20 3kvu h PRO 31 N 8.82 0.13 -0.91 5.44 0.11 -1.88 -2.38 132.00 141.33 3kvu h PRO 31 Ca -0.26 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.92 3kvu h PRO 31 Cb 1.10 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3kvu h PRO 31 CO 0.86 0.09 0.56 0.93 -0.21 0.00 0.00 178.00 180.22 3kvu h GLU 32 N 0.13 0.94 0.00 1.05 3.07 -1.96 -2.61 114.58 115.20 3kvu h GLU 32 Ca 0.26 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 3kvu h GLU 32 Cb 0.40 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3kvu h GLU 32 CO -0.42 0.62 -0.10 0.74 -1.40 0.00 0.00 179.01 178.45 3kvu h PHE 33 N 0.96 0.00 -0.20 4.33 0.05 -1.76 -3.18 116.94 117.15 3kvu h PHE 33 Ca 0.42 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.26 3kvu h PHE 33 Cb 0.29 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 3kvu h PHE 33 CO -0.03 0.10 0.39 0.00 -0.18 0.00 0.00 178.31 178.60 3kvu h ALA 34 N 1.90 1.72 -0.13 2.45 0.00 -1.08 -2.67 119.26 121.46 3kvu h ALA 34 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kvu h ALA 34 Cb 1.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3kvu h ALA 34 CO 0.01 -0.49 -0.25 0.39 0.00 0.00 0.00 179.25 178.90 3kvu n GLU 35 N -3.29 1.71 -2.03 0.00 -0.58 -1.20 -4.98 120.64 110.27 3kvu n GLU 35 Ca 0.03 -3.12 -0.29 0.00 -0.42 0.00 0.00 57.16 53.35 3kvu n GLU 35 Cb 0.50 -1.68 0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3kvu n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kvu s PHE 36 N -3.16 3.39 0.25 -0.32 2.99 -1.00 -5.01 117.98 115.11 3kvu s PHE 36 Ca 0.39 1.00 -0.31 0.00 0.00 0.00 0.00 56.93 58.02 3kvu s PHE 36 Cb 0.36 -2.89 -0.13 0.00 0.00 0.00 0.00 43.02 40.37 3kvu s PHE 36 CO -0.02 -0.95 1.47 -2.30 -0.00 0.00 0.00 175.22 173.41 3kvu n PRO 37 N -2.82 2.22 -1.08 0.24 -0.02 -1.26 -4.82 135.00 127.46 3kvu n PRO 37 Ca 0.06 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 3kvu n PRO 37 Cb 0.56 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3kvu n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvu n GLU 38 N 2.18 2.57 -4.36 -0.52 1.02 -1.26 -4.67 120.64 115.61 3kvu n GLU 38 Ca 0.11 -1.87 -0.23 0.00 -0.02 0.00 0.00 57.16 55.15 3kvu n GLU 38 Cb 0.33 -2.72 -0.08 0.00 -0.02 0.00 0.00 31.44 28.95 3kvu n GLU 38 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kvu s VAL 39 N 3.24 3.10 -0.06 2.62 -7.23 -1.26 -4.47 120.40 116.34 3kvu s VAL 39 Ca 0.52 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 3kvu s VAL 39 Cb 0.14 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 3kvu s VAL 39 CO -0.03 -0.38 1.88 0.12 -0.31 0.00 0.00 175.10 176.39 3kvu s PHE 40 N -2.37 1.54 0.40 2.82 5.99 0.62 -3.22 117.98 123.75 3kvu s PHE 40 Ca 0.31 -0.01 -0.27 0.00 0.00 0.00 0.00 56.93 56.96 3kvu s PHE 40 Cb -0.06 -4.08 -0.09 0.00 0.00 0.00 0.00 43.02 38.79 3kvu s PHE 40 CO 0.18 -4.58 1.34 0.00 -0.00 0.00 0.00 175.22 172.16 3kvu s ALA 41 N 5.07 3.33 0.33 11.12 0.00 -0.28 -4.78 121.76 136.54 3kvu s ALA 41 Ca 0.84 1.31 0.07 0.00 0.00 0.00 0.00 51.96 54.18 3kvu s ALA 41 Cb -0.36 -3.52 0.74 0.00 0.00 0.00 0.00 23.12 19.98 3kvu s ALA 41 CO 0.36 -0.88 1.85 1.03 0.00 0.00 0.00 175.76 178.12 3kvu h SER 42 N 2.76 0.74 -0.46 0.00 0.87 -1.92 -1.40 113.55 114.15 3kvu h SER 42 Ca -0.50 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.20 3kvu h SER 42 Cb 1.25 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 63.03 3kvu h SER 42 CO 0.63 0.36 -0.01 1.23 -0.53 0.00 0.00 176.83 178.51 3kvu h GLY 43 N 0.78 0.46 0.98 5.77 0.00 -1.97 -0.60 103.07 108.49 3kvu h GLY 43 Ca 0.48 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 3kvu h GLY 43 CO -0.25 -0.13 0.19 0.74 0.00 0.00 0.00 176.54 177.09 3kvu h PHE 44 N 0.10 0.85 -0.92 5.60 0.04 -1.82 -1.40 116.94 119.39 3kvu h PHE 44 Ca 0.23 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.99 3kvu h PHE 44 Cb 0.34 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 3kvu h PHE 44 CO -0.31 0.72 0.60 1.98 -0.60 0.00 0.00 178.31 180.69 3kvu h MET 45 N 0.74 0.99 0.05 1.51 4.05 -0.82 0.23 114.93 121.68 3kvu h MET 45 Ca 0.18 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3kvu h MET 45 Cb 0.25 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3kvu h MET 45 CO -0.01 0.66 -0.02 0.28 0.23 0.00 0.00 176.91 178.05 3kvu h VAL 46 N 1.02 0.96 -0.42 -5.77 2.07 -1.06 -1.84 116.25 111.22 3kvu h VAL 46 Ca 0.40 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.93 3kvu h VAL 46 Cb 0.24 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3kvu h VAL 46 CO -0.16 0.01 0.28 1.23 0.02 0.00 0.00 177.57 178.95 3kvu h GLY 47 N -0.07 0.52 0.85 2.17 0.00 0.07 -0.71 103.07 105.91 3kvu h GLY 47 Ca -0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 3kvu h GLY 47 CO 0.01 0.16 -0.65 -2.00 0.00 0.00 0.00 176.54 174.07 3kvu h LEU 48 N 0.47 0.60 -0.73 3.11 5.85 -0.42 0.88 115.31 125.06 3kvu h LEU 48 Ca 0.17 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 3kvu h LEU 48 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kvu h LEU 48 CO -0.04 1.26 0.40 0.24 -0.34 0.00 0.00 178.44 179.95 3kvu h MET 49 N -0.00 1.03 -0.42 1.25 2.86 -0.97 -0.74 114.93 117.94 3kvu h MET 49 Ca -0.08 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3kvu h MET 49 Cb 1.34 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 3kvu h MET 49 CO 0.13 0.77 0.23 0.93 1.06 0.00 0.00 176.91 180.02 3kvu h GLU 50 N 1.01 0.59 -0.80 1.72 5.08 -1.05 -2.83 114.58 118.31 3kvu h GLU 50 Ca 0.26 -0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.69 3kvu h GLU 50 Cb 0.04 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 3kvu h GLU 50 CO -0.04 0.48 0.37 2.35 -1.00 0.00 0.00 179.01 181.18 3kvu h TRP 51 N 0.55 0.65 -0.91 4.33 7.01 -0.21 0.21 115.95 127.58 3kvu h TRP 51 Ca 0.15 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 3kvu h TRP 51 Cb 0.07 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 3kvu h TRP 51 CO -0.02 0.12 0.50 0.00 -2.79 0.00 0.00 178.44 176.25 3kvu h ALA 52 N 1.55 1.17 0.03 2.65 0.00 -0.96 -1.69 119.26 122.01 3kvu h ALA 52 Ca 0.44 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3kvu h ALA 52 Cb 0.65 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kvu h ALA 52 CO -0.38 0.67 -0.98 0.00 0.00 0.00 0.00 179.25 178.56 3kvu h VAL 54 N 0.13 0.89 -0.13 0.00 2.07 -0.55 -2.42 116.25 116.23 3kvu h VAL 54 Ca -0.07 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3kvu h VAL 54 Cb 1.64 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3kvu h VAL 54 CO 0.16 0.02 -0.01 0.03 0.02 0.00 0.00 177.57 177.79 3kvu h ARG 55 N 0.12 0.03 -0.53 1.57 3.08 -1.19 -1.60 114.38 115.86 3kvu h ARG 55 Ca 0.10 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.30 3kvu h ARG 55 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3kvu h ARG 55 CO -0.14 0.02 0.39 0.00 -1.07 0.00 0.00 179.97 179.16 3kvu h ALA 56 N 1.12 2.48 0.04 0.04 0.00 -1.26 -3.04 119.26 118.65 3kvu h ALA 56 Ca 0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 3kvu h ALA 56 Cb 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kvu h ALA 56 CO -0.12 -0.66 -1.39 0.52 0.00 0.00 0.00 179.25 177.60 3kvu h MET 57 N 0.00 0.09 -0.63 0.00 2.86 -0.81 -3.40 114.93 113.03 3kvu h MET 57 Ca 0.25 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 3kvu h MET 57 Cb 1.02 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.65 3kvu h MET 57 CO -0.00 0.89 0.17 0.00 1.06 0.00 0.00 176.91 179.03 3kvu h ALA 58 N 0.82 0.78 0.00 6.32 0.00 -1.24 -1.28 119.26 124.66 3kvu h ALA 58 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kvu h ALA 58 Cb 1.93 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3kvu h ALA 58 CO 0.13 -0.28 0.00 -1.35 0.00 0.00 0.00 179.25 177.75 3kvu h PRO 59 N 0.31 0.00 -0.01 0.00 0.11 -1.79 -1.93 132.00 128.69 3kvu h PRO 59 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3kvu h PRO 59 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kvu h PRO 59 CO -0.39 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 177.85 3kvu n TYR 60 N -2.89 0.00 -2.80 0.65 4.01 -0.49 -4.90 117.16 110.74 3kvu n TYR 60 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3kvu n TYR 60 Cb 0.15 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 3kvu n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kvu s LEU 61 N -2.30 4.47 0.57 7.72 1.43 -0.73 -5.05 118.68 124.78 3kvu s LEU 61 Ca 0.27 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 3kvu s LEU 61 Cb 0.20 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 3kvu s LEU 61 CO 0.45 -0.06 0.96 -1.61 0.23 0.00 0.00 176.35 176.32 3kvu s GLU 62 N 0.10 3.64 0.32 1.70 0.41 -1.26 -4.96 118.70 118.66 3kvu s GLU 62 Ca 0.45 0.65 -0.28 0.00 -0.41 0.00 0.00 54.97 55.38 3kvu s GLU 62 Cb -0.22 -2.16 -0.13 0.00 -1.78 0.00 0.00 34.13 29.84 3kvu s GLU 62 CO 0.27 -0.43 1.25 -2.30 -0.49 0.00 0.00 175.26 173.57 3kvu n PRO 63 N -2.43 1.99 -0.96 0.39 -0.02 -1.26 -1.56 135.00 131.16 3kvu n PRO 63 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kvu n PRO 63 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kvu n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvu n GLY 64 N 0.96 0.72 3.92 -1.23 0.00 -1.26 -5.05 105.19 103.25 3kvu n GLY 64 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3kvu n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvu s GLU 65 N -0.18 3.56 0.09 1.61 2.02 -0.60 -1.39 118.70 123.80 3kvu s GLU 65 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 3kvu s GLU 65 Cb 0.00 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.52 3kvu s GLU 65 CO 0.00 0.26 0.15 0.41 0.02 0.00 0.00 175.26 176.10 3kvu n GLY 66 N -1.05 2.37 3.13 -1.39 0.00 0.19 -4.81 105.19 103.63 3kvu n GLY 66 Ca -0.04 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 3kvu n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvu s SER 67 N -1.49 0.34 0.04 1.61 1.04 -1.26 0.26 113.70 114.23 3kvu s SER 67 Ca 0.05 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.70 3kvu s SER 67 Cb -0.01 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3kvu s SER 67 CO 0.04 -0.63 -0.15 -0.76 0.98 0.00 0.00 173.24 172.72 3kvu s LEU 68 N -2.82 2.17 0.14 2.42 1.43 0.35 -4.89 118.68 117.47 3kvu s LEU 68 Ca 0.05 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 3kvu s LEU 68 Cb 0.06 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.55 3kvu s LEU 68 CO -0.10 0.05 1.27 -0.83 0.23 0.00 0.00 176.35 176.98 3kvu s GLY 69 N -1.12 2.37 0.00 -3.19 0.00 -1.26 -0.46 107.32 103.65 3kvu s GLY 69 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3kvu s GLY 69 CO 0.01 2.08 0.00 -1.30 0.00 0.00 0.00 173.10 173.90 3kvu n THR 70 N 3.29 0.00 -3.61 0.90 -2.24 0.12 -4.93 114.28 107.81 3kvu n THR 70 Ca 0.08 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3kvu n THR 70 Cb 0.44 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3kvu n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvu s ALA 71 N -1.10 -1.80 -0.04 6.98 0.00 -1.16 -4.94 121.76 119.69 3kvu s ALA 71 Ca 0.00 1.86 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 3kvu s ALA 71 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.19 3kvu s ALA 71 CO 0.00 -0.34 0.05 -1.50 0.00 0.00 0.00 175.76 173.98 3kvu s ILE 72 N 0.02 -0.04 -0.39 0.00 1.10 -1.26 -0.95 121.20 119.67 3kvu s ILE 72 Ca -0.02 0.38 0.01 0.00 -0.51 0.00 0.00 60.65 60.51 3kvu s ILE 72 Cb -0.04 -0.20 0.14 0.00 0.15 0.00 0.00 42.46 42.50 3kvu s ILE 72 CO 0.02 0.19 0.22 0.00 -2.11 0.00 0.00 174.94 173.26 3kvu s VAL 74 N 0.75 1.19 0.53 0.00 -7.23 -1.26 -1.35 120.40 113.03 3kvu s VAL 74 Ca 0.18 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 3kvu s VAL 74 Cb -0.24 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.60 3kvu s VAL 74 CO 0.01 -0.19 0.76 0.42 -0.31 0.00 0.00 175.10 175.78 3kvu s THR 75 N -1.24 3.02 -0.27 5.32 -4.23 -0.77 -4.93 115.64 112.54 3kvu s THR 75 Ca -0.01 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 3kvu s THR 75 Cb -0.10 -3.13 0.10 0.00 1.34 0.00 0.00 72.50 70.71 3kvu s THR 75 CO 0.02 -0.09 0.15 -2.28 -0.54 0.00 0.00 174.62 171.88 3kvu s HIS 76 N -2.73 0.16 -0.50 3.99 2.46 -1.26 -3.26 115.29 114.15 3kvu s HIS 76 Ca 0.55 -0.65 0.07 0.00 0.47 0.00 0.00 55.06 55.50 3kvu s HIS 76 Cb -0.10 -0.78 -0.03 0.00 -0.13 0.00 0.00 32.58 31.53 3kvu s HIS 76 CO 0.39 -0.78 0.42 0.25 -2.47 0.00 0.00 174.74 172.54 3kvu n THR 77 N 5.27 0.00 -3.82 0.89 -2.24 -0.46 -4.95 114.28 108.96 3kvu n THR 77 Ca -0.06 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 3kvu n THR 77 Cb 0.44 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 3kvu n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvu s ALA 78 N -1.31 -0.50 0.16 6.98 0.00 -1.24 -4.95 121.76 120.89 3kvu s ALA 78 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3kvu s ALA 78 Cb 0.05 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3kvu s ALA 78 CO 0.21 -0.29 0.38 0.00 0.00 0.00 0.00 175.76 176.07 3kvu s ALA 79 N -1.87 3.79 -0.20 0.00 0.00 -1.26 -4.83 121.76 117.39 3kvu s ALA 79 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3kvu s ALA 79 Cb -0.04 -2.12 0.05 0.00 0.00 0.00 0.00 23.12 21.01 3kvu s ALA 79 CO 0.00 0.63 -0.08 0.99 0.00 0.00 0.00 175.76 177.30 3kvu s THR 80 N -1.70 1.46 0.74 0.00 2.01 -1.26 -5.00 115.64 111.89 3kvu s THR 80 Ca 0.41 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3kvu s THR 80 Cb -0.12 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.82 3kvu s THR 80 CO 0.25 0.09 1.08 -2.16 -0.69 0.00 0.00 174.62 173.20 3kvu s PRO 81 N 1.47 2.54 0.27 4.92 0.04 -1.26 -0.28 135.00 142.70 3kvu s PRO 81 Ca -0.02 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 3kvu s PRO 81 Cb -0.17 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3kvu s PRO 81 CO -0.08 -1.32 1.45 -2.14 0.04 0.00 0.00 177.00 174.95 3kvu s PRO 82 N -5.16 4.25 0.00 0.56 0.02 -1.26 -3.65 135.00 129.76 3kvu s PRO 82 Ca 0.59 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3kvu s PRO 82 Cb -0.14 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3kvu s PRO 82 CO 0.54 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 3kvu n GLY 83 N 1.91 2.28 3.70 0.52 0.00 -0.52 -4.96 105.19 108.12 3kvu n GLY 83 Ca 0.06 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3kvu n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvu s LEU 84 N 0.00 2.72 -0.17 0.99 1.02 -1.24 -4.79 118.68 117.22 3kvu s LEU 84 Ca 0.00 1.96 -0.02 0.00 0.02 0.00 0.00 54.13 56.09 3kvu s LEU 84 Cb 0.00 -4.42 -0.01 0.00 0.02 0.00 0.00 46.19 41.78 3kvu s LEU 84 CO 0.00 -2.77 -0.10 -0.89 0.02 0.00 0.00 176.35 172.61 3kvu s THR 85 N -2.75 3.16 -0.09 5.49 2.01 -1.26 -1.01 115.64 121.20 3kvu s THR 85 Ca 0.65 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 3kvu s THR 85 Cb -0.21 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 3kvu s THR 85 CO 0.58 0.49 0.66 -0.69 -0.69 0.00 0.00 174.62 174.97 3kvu s VAL 86 N 0.82 5.07 -0.42 3.82 1.01 0.23 -3.98 120.40 126.94 3kvu s VAL 86 Ca -0.03 1.35 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 3kvu s VAL 86 Cb -0.15 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.30 3kvu s VAL 86 CO 0.01 0.25 0.28 -0.89 0.00 0.00 0.00 175.10 174.75 3kvu s THR 87 N 0.87 4.47 0.08 3.92 2.01 -0.16 0.08 115.64 126.91 3kvu s THR 87 Ca 0.35 -1.27 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 3kvu s THR 87 Cb -0.17 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 3kvu s THR 87 CO 0.16 -0.49 0.63 -0.69 -0.69 0.00 0.00 174.62 173.55 3kvu s VAL 88 N 1.48 4.68 -0.09 3.82 1.01 0.12 -2.61 120.40 128.82 3kvu s VAL 88 Ca 0.03 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3kvu s VAL 88 Cb -0.23 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3kvu s VAL 88 CO 0.04 0.51 -0.15 0.28 0.00 0.00 0.00 175.10 175.78 3kvu s THR 89 N -0.90 1.44 -0.37 3.92 -1.32 -0.46 -0.38 115.64 117.56 3kvu s THR 89 Ca 0.31 -0.63 0.01 0.00 -1.21 0.00 0.00 61.69 60.17 3kvu s THR 89 Cb -0.20 -1.30 0.14 0.00 -1.51 0.00 0.00 72.50 69.63 3kvu s THR 89 CO 0.21 0.43 0.22 0.00 -2.21 0.00 0.00 174.62 173.27 3kvu s ALA 90 N 0.79 1.09 -0.16 11.08 0.00 0.10 -0.99 121.76 133.67 3kvu s ALA 90 Ca -0.11 -1.98 -0.18 0.00 0.00 0.00 0.00 51.96 49.68 3kvu s ALA 90 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3kvu s ALA 90 CO 0.02 -2.09 0.50 -2.00 0.00 0.00 0.00 175.76 172.18 3kvu s GLU 91 N 0.92 4.27 -0.17 0.00 2.12 -0.54 -2.16 118.70 123.15 3kvu s GLU 91 Ca 0.19 0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 3kvu s GLU 91 Cb -0.21 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 3kvu s GLU 91 CO -0.01 0.01 1.37 -1.17 -0.54 0.00 0.00 175.26 174.92 3kvu s LEU 92 N 1.11 4.14 -0.01 2.70 2.96 0.11 -0.59 118.68 129.12 3kvu s LEU 92 Ca 0.25 1.72 0.12 0.00 -0.22 0.00 0.00 54.13 56.00 3kvu s LEU 92 Cb -0.15 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 3kvu s LEU 92 CO 0.10 -0.87 0.35 -2.11 -1.32 0.00 0.00 176.35 172.50 3kvu n ARG 93 N 6.88 1.62 -3.54 1.98 1.85 -0.44 0.20 116.66 125.20 3kvu n ARG 93 Ca 0.15 -0.06 -0.16 0.00 -1.00 0.00 0.00 57.85 56.78 3kvu n ARG 93 Cb 0.45 -1.17 -0.06 0.00 -1.05 0.00 0.00 32.46 30.63 3kvu n ARG 93 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3kvu s SER 94 N -2.79 -0.58 -0.07 2.89 1.04 -1.08 -4.82 113.70 108.28 3kvu s SER 94 Ca -0.01 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.13 3kvu s SER 94 Cb 0.08 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.74 3kvu s SER 94 CO 0.48 -0.51 -0.13 -0.69 0.98 0.00 0.00 173.24 173.36 3kvu s VAL 95 N -1.05 1.23 -0.33 5.02 1.01 -1.26 -2.76 120.40 122.26 3kvu s VAL 95 Ca -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kvu s VAL 95 Cb -0.00 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.39 3kvu s VAL 95 CO 0.07 0.38 0.25 -0.70 0.00 0.00 0.00 175.10 175.09 3kvu s GLU 96 N 0.62 0.43 7.97 2.72 2.56 -0.43 -5.01 118.70 127.56 3kvu s GLU 96 Ca -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.05 3kvu s GLU 96 Cb -0.16 -0.99 0.00 0.00 2.00 0.00 0.00 34.13 34.98 3kvu s GLU 96 CO 0.04 -1.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.03 3kvu n GLY 97 N 4.65 4.02 0.68 -1.50 0.00 -1.26 -1.96 105.19 109.84 3kvu n GLY 97 Ca 0.04 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.22 3kvu n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvu n ARG 98 N 13.74 1.91 -3.57 1.61 1.74 -1.26 -4.84 116.66 125.99 3kvu n ARG 98 Ca 0.00 -1.36 -0.38 0.00 -0.77 0.00 0.00 57.85 55.34 3kvu n ARG 98 Cb 0.00 -1.43 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 3kvu n ARG 98 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kvu s ARG 99 N -1.77 3.96 -0.08 5.56 3.52 -0.83 -0.80 118.95 128.51 3kvu s ARG 99 Ca 0.34 -0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.69 3kvu s ARG 99 Cb 0.19 -3.66 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3kvu s ARG 99 CO 0.28 -0.19 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.87 3kvu s LEU 100 N 1.78 2.34 -0.01 -0.88 1.02 -0.50 -1.31 118.68 121.13 3kvu s LEU 100 Ca 0.08 -0.42 0.07 0.00 0.02 0.00 0.00 54.13 53.87 3kvu s LEU 100 Cb -0.16 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 3kvu s LEU 100 CO 0.11 0.23 -0.21 -0.94 0.02 0.00 0.00 176.35 175.56 3kvu s SER 101 N -0.07 2.44 0.31 2.29 1.04 -1.11 0.11 113.70 118.71 3kvu s SER 101 Ca -0.05 -0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.08 3kvu s SER 101 Cb -0.14 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 3kvu s SER 101 CO 0.04 0.24 -0.05 0.26 0.98 0.00 0.00 173.24 174.72 3kvu s TRP 102 N -0.53 2.51 -0.02 5.02 0.52 0.26 -1.33 118.94 125.35 3kvu s TRP 102 Ca 0.08 -0.38 -0.15 0.00 0.02 0.00 0.00 56.10 55.67 3kvu s TRP 102 Cb -0.08 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.87 3kvu s TRP 102 CO -0.00 0.57 0.40 1.03 0.02 0.00 0.00 176.95 178.97 3kvu s ARG 103 N -3.66 3.97 0.13 4.98 1.81 0.25 -2.12 118.95 124.31 3kvu s ARG 103 Ca 0.33 0.39 0.09 0.00 -1.72 0.00 0.00 55.73 54.82 3kvu s ARG 103 Cb -0.02 -3.25 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 3kvu s ARG 103 CO 0.18 0.61 -0.21 0.14 -0.68 0.00 0.00 175.30 175.34 3kvu s VAL 104 N -0.81 1.87 0.04 3.52 -7.23 -0.77 -1.46 120.40 115.55 3kvu s VAL 104 Ca 0.23 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3kvu s VAL 104 Cb -0.16 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3kvu s VAL 104 CO 0.12 -0.12 0.03 -0.44 -0.31 0.00 0.00 175.10 174.39 3kvu s SER 105 N -2.21 0.28 0.02 4.85 0.01 -0.16 -1.37 113.70 115.12 3kvu s SER 105 Ca 0.11 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 3kvu s SER 105 Cb -0.09 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 3kvu s SER 105 CO 0.06 -0.49 0.06 0.00 0.41 0.00 0.00 173.24 173.28 3kvu s ALA 106 N -2.73 -0.09 0.16 1.44 0.00 -0.48 -1.36 121.76 118.69 3kvu s ALA 106 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3kvu s ALA 106 Cb -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3kvu s ALA 106 CO -0.05 -0.21 0.21 -3.38 0.00 0.00 0.00 175.76 172.32 3kvu s HIS 107 N -1.69 0.61 -0.17 0.00 -3.43 -1.07 -1.25 115.29 108.28 3kvu s HIS 107 Ca -0.13 -0.97 0.17 0.00 -0.80 0.00 0.00 55.06 53.33 3kvu s HIS 107 Cb -0.07 -0.22 0.39 0.00 -1.43 0.00 0.00 32.58 31.25 3kvu s HIS 107 CO -0.01 -0.66 1.27 -0.40 -2.00 0.00 0.00 174.74 172.94 3kvu n ASP 108 N -0.19 3.06 0.00 7.38 5.68 -0.72 -0.99 116.55 130.78 3kvu n ASP 108 Ca -0.06 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 3kvu n ASP 108 Cb 0.63 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3kvu n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvu n GLY 109 N -0.92 2.58 0.13 6.12 0.00 -1.26 -4.01 105.19 107.84 3kvu n GLY 109 Ca 0.18 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 3kvu n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvu n VAL 110 N 0.00 1.50 -4.32 1.61 0.31 -1.26 -5.03 118.33 111.14 3kvu n VAL 110 Ca 0.00 -0.15 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 3kvu n VAL 110 Cb 0.00 -2.08 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 3kvu n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kvu s ASP 111 N -6.79 2.57 -0.07 4.52 1.01 -1.26 -5.10 116.67 111.55 3kvu s ASP 111 Ca -0.34 -0.68 -0.29 0.00 0.71 0.00 0.00 52.55 51.95 3kvu s ASP 111 Cb 0.10 -0.15 -0.07 0.00 1.01 0.00 0.00 42.92 43.81 3kvu s ASP 111 CO 0.46 0.07 2.03 -0.70 0.21 0.00 0.00 175.17 177.23 3kvu s GLU 112 N -1.86 3.78 0.00 8.23 2.56 -1.26 -1.75 118.70 128.40 3kvu s GLU 112 Ca 0.07 2.35 0.18 0.00 0.00 0.00 0.00 54.97 57.57 3kvu s GLU 112 Cb -0.10 -4.22 0.09 0.00 2.00 0.00 0.00 34.13 31.90 3kvu s GLU 112 CO 0.04 -1.37 1.00 0.44 -0.56 0.00 0.00 175.26 174.82 3kvu n ILE 113 N 6.35 0.00 0.00 -3.70 -5.35 -0.38 -4.15 119.36 112.13 3kvu n ILE 113 Ca 0.23 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 3kvu n ILE 113 Cb 0.43 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 3kvu n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvu n GLY 114 N 1.08 3.54 3.75 3.28 0.00 -1.20 -1.36 105.19 114.28 3kvu n GLY 114 Ca 0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 3kvu n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvu s SER 115 N 0.00 -0.18 0.00 1.61 1.04 -1.20 -1.38 113.70 113.58 3kvu s SER 115 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3kvu s SER 115 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3kvu s SER 115 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3kvu n GLY 116 N -0.47 -0.46 3.09 7.32 0.00 -0.47 -1.85 105.19 112.35 3kvu n GLY 116 Ca -0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 3kvu n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvu s THR 117 N -2.98 0.26 -0.07 2.61 -4.23 -0.46 -1.85 115.64 108.92 3kvu s THR 117 Ca 0.00 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3kvu s THR 117 Cb 0.00 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.43 3kvu s THR 117 CO 0.00 -0.95 0.18 -2.28 -0.54 0.00 0.00 174.62 171.03 3kvu s HIS 118 N -3.70 -0.21 -0.08 3.99 5.04 -0.90 -1.42 115.29 118.00 3kvu s HIS 118 Ca 0.06 0.53 0.01 0.00 -1.54 0.00 0.00 55.06 54.11 3kvu s HIS 118 Cb 0.06 0.04 -0.03 0.00 0.04 0.00 0.00 32.58 32.70 3kvu s HIS 118 CO -0.09 -0.13 -0.09 -1.21 -2.34 0.00 0.00 174.74 170.88 3kvu s GLU 119 N 0.46 2.83 0.27 2.88 8.01 -0.13 0.88 118.70 133.90 3kvu s GLU 119 Ca -0.03 -0.60 0.08 0.00 0.01 0.00 0.00 54.97 54.43 3kvu s GLU 119 Cb -0.04 -2.57 -0.05 0.00 -4.31 0.00 0.00 34.13 27.15 3kvu s GLU 119 CO -0.02 0.57 -0.10 1.03 0.01 0.00 0.00 175.26 176.75 3kvu s ARG 120 N -0.57 1.54 -0.08 1.61 0.52 0.12 -0.70 118.95 121.38 3kvu s ARG 120 Ca 0.08 -1.75 0.01 0.00 -0.52 0.00 0.00 55.73 53.55 3kvu s ARG 120 Cb -0.12 -1.26 0.02 0.00 0.52 0.00 0.00 34.95 34.11 3kvu s ARG 120 CO 0.02 0.11 -0.10 0.00 0.02 0.00 0.00 175.30 175.35 3kvu s ALA 121 N -2.91 1.25 0.12 2.13 0.00 0.39 -1.41 121.76 121.34 3kvu s ALA 121 Ca 0.28 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3kvu s ALA 121 Cb 0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.38 3kvu s ALA 121 CO 0.11 -0.10 1.17 0.08 0.00 0.00 0.00 175.76 177.03 3kvu s VAL 122 N 1.08 3.87 0.26 0.00 1.01 0.02 -0.50 120.40 126.14 3kvu s VAL 122 Ca -0.07 1.46 0.11 0.00 0.00 0.00 0.00 61.98 63.48 3kvu s VAL 122 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3kvu s VAL 122 CO -0.01 0.18 -0.19 0.27 0.00 0.00 0.00 175.10 175.35 3kvu s ILE 123 N 0.45 2.31 -0.40 2.22 -4.36 0.72 -4.91 121.20 117.24 3kvu s ILE 123 Ca 0.55 -2.33 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 3kvu s ILE 123 Cb -0.30 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.20 3kvu s ILE 123 CO 0.33 -0.41 0.63 -1.00 0.24 0.00 0.00 174.94 174.72 3kvu s HIS 124 N -2.51 3.11 0.25 1.37 3.76 -1.26 0.54 115.29 120.55 3kvu s HIS 124 Ca 0.27 0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 55.28 3kvu s HIS 124 Cb -0.04 -3.22 0.40 0.00 1.11 0.00 0.00 32.58 30.82 3kvu s HIS 124 CO 0.13 -0.74 1.84 -0.07 -0.85 0.00 0.00 174.74 175.05 3kvu h LEU 125 N 9.51 0.81 -0.16 0.89 3.38 -1.54 -2.64 115.31 125.56 3kvu h LEU 125 Ca -0.26 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kvu h LEU 125 Cb 1.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3kvu h LEU 125 CO 0.86 0.49 0.05 -0.33 0.09 0.00 0.00 178.44 179.60 3kvu h GLU 126 N 0.93 0.13 -0.05 1.13 5.08 -1.94 0.49 114.58 120.34 3kvu h GLU 126 Ca 0.41 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3kvu h GLU 126 Cb 0.29 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3kvu h GLU 126 CO -0.21 0.08 0.03 -0.22 -1.00 0.00 0.00 179.01 177.69 3kvu h LYS 127 N 0.13 0.07 0.11 2.33 3.64 -1.90 -1.43 116.57 119.51 3kvu h LYS 127 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kvu h LYS 127 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kvu h LYS 127 CO -0.07 0.10 -0.05 0.35 -2.27 0.00 0.00 179.45 177.51 3kvu h PHE 128 N 0.02 -0.14 -0.69 1.91 3.57 -1.32 -1.94 116.94 118.36 3kvu h PHE 128 Ca 0.02 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.66 3kvu h PHE 128 Cb 0.05 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 38.72 3kvu h PHE 128 CO -0.06 0.09 0.09 -0.91 -2.23 0.00 0.00 178.31 175.30 3kvu h ASN 129 N -0.35 -0.13 -0.66 0.41 2.35 0.02 -1.78 115.58 115.43 3kvu h ASN 129 Ca -0.02 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3kvu h ASN 129 Cb 0.29 0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 3kvu h ASN 129 CO 0.02 -0.08 0.31 0.00 -1.65 0.00 0.00 177.43 176.04 3kvu h ALA 130 N 1.60 1.26 -0.58 -0.83 0.00 -0.87 -0.20 119.26 119.64 3kvu h ALA 130 Ca 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kvu h ALA 130 Cb 0.64 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kvu h ALA 130 CO -0.53 0.56 0.26 0.87 0.00 0.00 0.00 179.25 180.41 3kvu h LYS 131 N 0.98 0.82 -0.04 0.00 1.57 -0.57 -1.73 116.57 117.59 3kvu h LYS 131 Ca 0.24 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3kvu h LYS 131 Cb 0.13 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kvu h LYS 131 CO -0.03 0.65 -0.00 0.28 -0.57 0.00 0.00 179.45 179.79 3kvu h VAL 132 N 0.82 1.26 -0.60 0.50 2.07 -0.82 -2.10 116.25 117.38 3kvu h VAL 132 Ca 0.20 -0.78 0.18 0.00 0.82 0.00 0.00 66.70 67.11 3kvu h VAL 132 Cb 0.12 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3kvu h VAL 132 CO -0.02 0.21 0.44 0.03 0.02 0.00 0.00 177.57 178.24 3kvu h ARG 133 N -0.23 0.00 -0.25 1.57 -0.00 -0.82 -0.96 114.38 113.68 3kvu h ARG 133 Ca 0.01 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.30 3kvu h ARG 133 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.31 3kvu h ARG 133 CO 0.00 0.00 -0.60 0.37 0.00 0.00 0.00 179.97 179.74 3kvu h GLN 134 N 0.00 0.81 -0.01 0.04 4.15 -0.67 -2.96 115.11 116.47 3kvu h GLN 134 Ca 0.29 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3kvu h GLN 134 Cb 1.15 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3kvu h GLN 134 CO -0.00 1.17 -0.22 0.36 -1.93 0.00 0.00 178.83 178.21 3kvu n LYS 135 N -3.98 1.15 -1.65 1.69 2.85 -0.90 -4.84 118.16 112.48 3kvu n LYS 135 Ca -0.05 -0.74 -0.43 0.00 -1.05 0.00 0.00 58.31 56.04 3kvu n LYS 135 Cb 0.65 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 3kvu n LYS 135 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3kvu n THR 136 N -0.28 0.65 1.98 0.58 -1.04 -0.40 -5.09 114.28 110.69 3kvu n THR 136 Ca 0.13 -0.21 0.16 0.00 -2.04 0.00 0.00 64.05 62.09 3kvu n THR 136 Cb 0.38 -2.32 0.94 0.00 -1.82 0.00 0.00 70.33 67.51 3kvu n THR 136 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62