#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvc s GLN 4 N 0.00 4.32 0.02 4.33 2.00 -1.26 -5.02 119.66 124.06 3kvc s GLN 4 Ca 0.00 1.89 -0.27 0.00 -2.00 0.00 0.00 55.36 54.97 3kvc s GLN 4 Cb 0.00 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.27 3kvc s GLN 4 CO 0.00 -0.48 0.85 0.08 -0.50 0.00 0.00 175.29 175.24 3kvc s VAL 5 N 2.00 4.80 0.10 1.34 1.01 -1.26 -5.07 120.40 123.31 3kvc s VAL 5 Ca 0.61 1.80 0.06 0.00 0.00 0.00 0.00 61.98 64.46 3kvc s VAL 5 Cb -0.30 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3kvc s VAL 5 CO 0.26 0.27 -0.06 -1.61 0.00 0.00 0.00 175.10 173.96 3kvc s GLU 6 N 0.46 2.29 -0.47 2.72 0.41 -1.26 -5.08 118.70 117.77 3kvc s GLU 6 Ca 0.44 -0.95 0.08 0.00 -0.41 0.00 0.00 54.97 54.13 3kvc s GLU 6 Cb -0.21 -2.40 0.36 0.00 -1.78 0.00 0.00 34.13 30.10 3kvc s GLU 6 CO 0.25 0.52 0.88 0.72 -0.49 0.00 0.00 175.26 177.14 3kvc n HIS 7 N 0.66 2.39 -0.35 1.61 8.25 -1.26 -4.93 115.22 121.60 3kvc n HIS 7 Ca -0.12 -3.78 0.06 0.00 -0.26 0.00 0.00 57.72 53.61 3kvc n HIS 7 Cb 0.52 -0.42 0.23 0.00 1.12 0.00 0.00 29.99 31.44 3kvc n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kvc h PRO 8 N 2.95 1.01 -0.44 -0.41 0.13 -1.97 -2.39 132.00 130.88 3kvc h PRO 8 Ca 0.12 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.25 3kvc h PRO 8 Cb 0.75 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 3kvc h PRO 8 CO 0.68 0.67 0.30 0.00 -0.23 0.00 0.00 178.00 179.42 3kvc h ALA 9 N 1.51 1.99 0.00 -0.56 0.00 -2.04 -3.43 119.26 116.73 3kvc h ALA 9 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3kvc h ALA 9 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kvc h ALA 9 CO -0.22 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3kvc n GLY 10 N -1.53 0.53 0.31 0.00 0.00 -0.90 -4.95 105.19 98.66 3kvc n GLY 10 Ca 0.06 -0.86 0.18 0.00 0.00 0.00 0.00 46.02 45.40 3kvc n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvc h GLY 11 N 0.00 0.00 2.00 -0.02 0.00 -1.90 -2.73 103.07 100.42 3kvc h GLY 11 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kvc h GLY 11 CO 0.00 0.00 -0.01 0.10 0.00 0.00 0.00 176.54 176.63 3kvc h TYR 12 N 0.00 0.00 -0.38 5.60 -0.00 -1.93 -2.41 116.97 117.84 3kvc h TYR 12 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.73 58.82 3kvc h TYR 12 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.80 3kvc h TYR 12 CO 0.00 0.01 0.27 0.87 -0.00 0.00 0.00 178.16 179.31 3kvc h LYS 13 N 0.00 0.09 0.00 0.10 1.57 -1.77 -0.63 116.57 115.93 3kvc h LYS 13 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kvc h LYS 13 Cb 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kvc h LYS 13 CO 0.00 0.06 -0.02 0.87 -0.57 0.00 0.00 179.45 179.79 3kvc h LYS 14 N 0.09 0.00 0.00 3.15 1.79 -1.69 -1.43 116.57 118.48 3kvc h LYS 14 Ca 0.18 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3kvc h LYS 14 Cb 0.59 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3kvc h LYS 14 CO -0.02 0.02 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.26 3kvc h LEU 15 N 0.00 0.00 -3.41 2.94 3.38 -1.31 -3.11 115.31 113.80 3kvc h LEU 15 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3kvc h LEU 15 Cb 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.81 3kvc h LEU 15 CO 0.00 0.04 -0.38 0.49 0.09 0.00 0.00 178.44 178.68 3kvc n PHE 16 N -3.83 1.42 -5.21 1.13 3.72 -0.54 -0.88 117.46 113.27 3kvc n PHE 16 Ca -0.03 -1.87 -0.32 0.00 -0.05 0.00 0.00 57.45 55.19 3kvc n PHE 16 Cb 0.14 -0.43 -0.16 0.00 -0.94 0.00 0.00 39.48 38.08 3kvc n PHE 16 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kvc s GLU 17 N -3.40 2.55 0.33 -1.08 2.12 -1.18 -4.93 118.70 113.12 3kvc s GLU 17 Ca 0.46 -0.88 -0.28 0.00 0.36 0.00 0.00 54.97 54.63 3kvc s GLU 17 Cb 0.40 -2.20 -0.12 0.00 0.26 0.00 0.00 34.13 32.47 3kvc s GLU 17 CO -0.01 0.41 1.30 2.41 -0.54 0.00 0.00 175.26 178.83 3kvc n THR 18 N 2.87 1.86 -4.49 -1.70 -1.04 -1.26 -4.71 114.28 105.81 3kvc n THR 18 Ca -0.17 -0.46 -0.23 0.00 -2.04 0.00 0.00 64.05 61.14 3kvc n THR 18 Cb 0.52 -1.54 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 3kvc n THR 18 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kvc s VAL 19 N -0.95 1.78 0.06 12.58 -7.23 -0.76 -5.04 120.40 120.86 3kvc s VAL 19 Ca 0.57 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 3kvc s VAL 19 Cb -0.58 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 3kvc s VAL 19 CO 0.60 -0.20 0.38 -1.61 -0.31 0.00 0.00 175.10 173.96 3kvc s GLU 20 N -3.72 3.74 1.07 4.82 2.02 -1.26 -4.76 118.70 120.60 3kvc s GLU 20 Ca 0.32 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 55.32 3kvc s GLU 20 Cb 0.05 -3.02 0.22 0.00 0.10 0.00 0.00 34.13 31.48 3kvc s GLU 20 CO 0.14 0.58 1.08 -1.83 0.02 0.00 0.00 175.26 175.26 3kvc s GLU 21 N -1.83 -0.14 0.06 1.61 -1.05 -1.26 -5.04 118.70 111.05 3kvc s GLU 21 Ca 0.31 0.45 0.05 0.00 -0.15 0.00 0.00 54.97 55.63 3kvc s GLU 21 Cb -0.14 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.84 3kvc s GLU 21 CO 0.17 -3.10 -0.04 -0.51 0.95 0.00 0.00 175.26 172.74 3kvc s LEU 22 N -6.69 3.31 0.15 1.83 1.43 -0.77 -5.03 118.68 112.92 3kvc s LEU 22 Ca 0.67 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3kvc s LEU 22 Cb -0.18 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 3kvc s LEU 22 CO 0.59 0.21 1.34 0.77 0.23 0.00 0.00 176.35 179.49 3kvc h SER 23 N 3.81 0.14 -5.08 2.29 4.64 -1.97 -3.45 113.55 113.93 3kvc h SER 23 Ca -0.48 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 3kvc h SER 23 Cb 1.17 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 3kvc h SER 23 CO 0.56 1.00 0.07 -0.94 -0.87 0.00 0.00 176.83 176.65 3kvc s SER 24 N -6.86 -0.27 0.34 4.97 1.04 -1.26 -5.12 113.70 106.54 3kvc s SER 24 Ca -0.01 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 3kvc s SER 24 Cb 0.10 0.61 -0.12 0.00 0.10 0.00 0.00 66.02 66.72 3kvc s SER 24 CO 0.82 -1.12 1.47 -2.65 0.98 0.00 0.00 173.24 172.75 3kvc n PRO 25 N -0.37 2.55 -3.36 4.02 -0.02 -1.26 -4.90 135.00 131.65 3kvc n PRO 25 Ca -0.08 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 3kvc n PRO 25 Cb 0.62 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 3kvc n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kvc s LEU 26 N -1.36 4.32 -0.12 2.45 1.43 0.35 -4.87 118.68 120.88 3kvc s LEU 26 Ca 0.57 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 54.47 3kvc s LEU 26 Cb -0.51 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3kvc s LEU 26 CO 0.59 0.09 0.86 -0.89 0.23 0.00 0.00 176.35 177.23 3kvc s THR 27 N -1.50 4.88 0.21 5.49 2.01 -1.26 -0.55 115.64 124.93 3kvc s THR 27 Ca 0.39 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.96 3kvc s THR 27 Cb -0.15 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 3kvc s THR 27 CO 0.19 0.07 0.65 0.00 -0.69 0.00 0.00 174.62 174.84 3kvc s ALA 28 N 1.81 3.47 -0.41 7.40 0.00 -0.04 -4.94 121.76 129.05 3kvc s ALA 28 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 3kvc s ALA 28 Cb -0.18 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.30 3kvc s ALA 28 CO 0.16 0.39 1.10 -1.58 0.00 0.00 0.00 175.76 175.83 3kvc s HIS 29 N -1.58 2.96 0.00 0.00 5.04 0.19 -4.65 115.29 117.24 3kvc s HIS 29 Ca 0.43 0.89 -0.28 0.00 -1.54 0.00 0.00 55.06 54.55 3kvc s HIS 29 Cb -0.15 -4.11 -0.04 0.00 0.04 0.00 0.00 32.58 28.33 3kvc s HIS 29 CO 0.20 -1.06 0.90 0.08 -2.34 0.00 0.00 174.74 172.52 3kvc s VAL 30 N 4.09 4.86 0.32 0.89 1.01 -1.26 -0.57 120.40 129.73 3kvc s VAL 30 Ca 0.46 1.89 0.10 0.00 0.00 0.00 0.00 61.98 64.43 3kvc s VAL 30 Cb -0.09 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 3kvc s VAL 30 CO 0.25 0.21 -0.03 0.42 0.00 0.00 0.00 175.10 175.95 3kvc s THR 31 N 0.76 2.72 0.00 3.92 -4.23 -0.57 -5.00 115.64 113.25 3kvc s THR 31 Ca 0.47 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3kvc s THR 31 Cb -0.20 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3kvc s THR 31 CO 0.26 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3kvc n GLY 32 N -0.88 1.27 2.91 3.99 0.00 -1.26 -1.79 105.19 109.43 3kvc n GLY 32 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 3kvc n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvc s ARG 33 N 0.00 1.49 0.11 1.61 0.52 -0.81 -4.94 118.95 116.93 3kvc s ARG 33 Ca 0.00 -0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 3kvc s ARG 33 Cb 0.00 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 33.00 3kvc s ARG 33 CO 0.00 -0.55 1.63 0.42 0.02 0.00 0.00 175.30 176.82 3kvc s ILE 34 N 1.51 2.86 0.27 1.52 -1.09 -1.26 -4.53 121.20 120.49 3kvc s ILE 34 Ca -0.03 0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.53 3kvc s ILE 34 Cb -0.18 -3.29 -0.13 0.00 -1.58 0.00 0.00 42.46 37.29 3kvc s ILE 34 CO -0.07 0.01 1.46 -2.65 -1.23 0.00 0.00 174.94 172.47 3kvc n PRO 35 N 4.99 2.30 0.22 2.79 -0.02 -1.26 -4.54 135.00 139.48 3kvc n PRO 35 Ca 0.15 0.82 0.15 0.00 -2.02 0.00 0.00 63.50 62.60 3kvc n PRO 35 Cb 0.40 -2.51 0.60 0.00 -0.02 0.00 0.00 33.50 31.96 3kvc n PRO 35 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kvc h LEU 36 N 4.19 0.00 -0.38 2.45 3.38 -1.96 -2.38 115.31 120.61 3kvc h LEU 36 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3kvc h LEU 36 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kvc h LEU 36 CO 0.75 0.00 -0.09 -2.67 0.09 0.00 0.00 178.44 176.52 3kvc n TRP 37 N -2.74 0.00 -3.09 1.13 4.27 -1.26 -4.65 117.44 111.10 3kvc n TRP 37 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 3kvc n TRP 37 Cb 0.28 -0.11 -0.06 0.00 -1.36 0.00 0.00 31.31 30.06 3kvc n TRP 37 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3kvc s LEU 38 N -2.32 4.65 -0.11 5.67 2.96 -0.90 -4.92 118.68 123.72 3kvc s LEU 38 Ca 0.33 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3kvc s LEU 38 Cb 0.20 -2.61 0.04 0.00 0.50 0.00 0.00 46.19 44.33 3kvc s LEU 38 CO 0.44 -0.90 0.06 -0.89 -1.32 0.00 0.00 176.35 173.73 3kvc s THR 39 N 2.91 0.06 -5.00 3.68 2.01 -1.26 -4.22 115.64 113.81 3kvc s THR 39 Ca 0.20 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.25 3kvc s THR 39 Cb -0.16 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.88 3kvc s THR 39 CO 0.16 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 3kvc n GLY 40 N 5.24 0.10 3.01 4.40 0.00 -0.93 -1.00 105.19 116.00 3kvc n GLY 40 Ca -0.06 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 3kvc n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvc s SER 41 N -4.00 1.88 -0.29 1.61 0.01 -0.54 -0.29 113.70 112.08 3kvc s SER 41 Ca 0.00 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 3kvc s SER 41 Cb 0.00 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.36 3kvc s SER 41 CO 0.00 0.01 0.48 -0.22 0.41 0.00 0.00 173.24 173.92 3kvc s LEU 42 N 0.85 4.14 -0.15 2.44 2.96 0.49 -0.80 118.68 128.60 3kvc s LEU 42 Ca -0.11 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3kvc s LEU 42 Cb -0.15 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 3kvc s LEU 42 CO 0.01 -0.32 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.85 3kvc s LEU 43 N 2.29 2.73 0.03 -0.68 1.43 0.10 -1.18 118.68 123.40 3kvc s LEU 43 Ca 0.19 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3kvc s LEU 43 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3kvc s LEU 43 CO 0.11 0.12 -0.03 -0.13 0.23 0.00 0.00 176.35 176.64 3kvc s ARG 44 N 0.63 0.45 0.05 1.70 0.52 -0.52 -0.63 118.95 121.15 3kvc s ARG 44 Ca -0.07 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 54.37 3kvc s ARG 44 Cb -0.15 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.40 3kvc s ARG 44 CO 0.03 -0.07 -0.26 0.00 0.02 0.00 0.00 175.30 175.03 3kvc s GLY 46 N -1.35 -0.18 0.33 0.00 0.00 -0.93 -0.58 107.32 104.60 3kvc s GLY 46 Ca 0.12 0.02 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 3kvc s GLY 46 CO 0.03 0.09 1.26 2.56 0.00 0.00 0.00 173.10 177.04 3kvc s PRO 47 N -3.30 4.36 0.00 2.90 0.04 -1.25 -0.19 135.00 137.56 3kvc s PRO 47 Ca 0.13 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3kvc s PRO 47 Cb -0.02 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3kvc s PRO 47 CO 0.03 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3kvc n GLY 48 N 0.85 0.74 2.93 0.56 0.00 -0.30 -4.57 105.19 105.39 3kvc n GLY 48 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kvc n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kvc s LEU 49 N -0.75 2.02 0.00 0.99 2.96 -1.23 -1.82 118.68 120.85 3kvc s LEU 49 Ca 0.00 -0.86 0.17 0.00 -0.22 0.00 0.00 54.13 53.21 3kvc s LEU 49 Cb 0.00 -1.06 0.29 0.00 0.50 0.00 0.00 46.19 45.92 3kvc s LEU 49 CO 0.00 -0.19 1.20 0.49 -1.32 0.00 0.00 176.35 176.53 3kvc n PHE 50 N 4.78 0.33 -3.57 5.38 3.72 -1.26 -2.02 117.46 124.81 3kvc n PHE 50 Ca -0.13 -0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 56.91 3kvc n PHE 50 Cb 0.46 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 3kvc n PHE 50 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3kvc s GLU 51 N -1.21 1.06 -0.41 -1.08 1.03 -1.26 -1.72 118.70 115.11 3kvc s GLU 51 Ca 0.27 -0.33 -0.01 0.00 0.03 0.00 0.00 54.97 54.93 3kvc s GLU 51 Cb 0.16 0.48 0.11 0.00 -0.80 0.00 0.00 34.13 34.08 3kvc s GLU 51 CO 0.22 -0.40 0.18 0.08 -1.33 0.00 0.00 175.26 174.02 3kvc s VAL 52 N -2.76 3.09 0.00 1.83 1.01 0.06 -4.95 120.40 118.68 3kvc s VAL 52 Ca -0.04 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.77 3kvc s VAL 52 Cb -0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3kvc s VAL 52 CO -0.04 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 174.98 3kvc n GLY 53 N 4.45 2.66 1.07 4.51 0.00 -1.26 -1.35 105.19 115.27 3kvc n GLY 53 Ca -0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3kvc n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kvc n SER 54 N 10.13 3.23 -4.51 1.61 3.41 -1.26 -4.88 113.62 121.34 3kvc n SER 54 Ca 0.00 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 3kvc n SER 54 Cb 0.00 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 3kvc n SER 54 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kvc s GLU 55 N -1.64 3.42 0.33 4.33 2.02 -0.45 -5.07 118.70 121.64 3kvc s GLU 55 Ca 0.36 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.50 3kvc s GLU 55 Cb 0.22 -3.79 -0.09 0.00 0.10 0.00 0.00 34.13 30.56 3kvc s GLU 55 CO 0.31 -0.47 0.77 -1.25 0.02 0.00 0.00 175.26 174.64 3kvc s PRO 56 N 1.70 4.05 0.24 0.39 0.04 -1.26 -0.76 135.00 139.40 3kvc s PRO 56 Ca 0.06 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 61.63 3kvc s PRO 56 Cb -0.18 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 3kvc s PRO 56 CO 0.10 0.14 0.77 -0.06 0.04 0.00 0.00 177.00 177.99 3kvc s PHE 57 N -1.99 3.67 -0.17 0.56 0.08 -0.70 -4.91 117.98 114.52 3kvc s PHE 57 Ca 0.55 1.49 0.09 0.00 0.12 0.00 0.00 56.93 59.18 3kvc s PHE 57 Cb -0.10 -2.69 -0.23 0.00 -0.57 0.00 0.00 43.02 39.43 3kvc s PHE 57 CO 0.17 0.32 0.17 0.66 -0.10 0.00 0.00 175.22 176.43 3kvc n TYR 58 N 0.74 0.41 -4.19 0.36 4.01 -1.26 -4.89 117.16 112.34 3kvc n TYR 58 Ca -0.02 0.12 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 3kvc n TYR 58 Cb 0.51 -1.07 -0.09 0.00 -0.31 0.00 0.00 39.34 38.39 3kvc n TYR 58 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3kvc s HIS 59 N -2.53 2.95 0.55 -0.72 2.46 -1.26 -0.13 115.29 116.60 3kvc s HIS 59 Ca -0.17 -0.04 0.35 0.00 0.47 0.00 0.00 55.06 55.67 3kvc s HIS 59 Cb 0.07 -1.54 1.52 0.00 -0.13 0.00 0.00 32.58 32.51 3kvc s HIS 59 CO 0.76 0.46 1.82 1.25 -2.47 0.00 0.00 174.74 176.57 3kvc h LEU 60 N 3.63 0.00 -3.40 8.88 5.85 -1.60 -1.61 115.31 127.06 3kvc h LEU 60 Ca -0.48 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 3kvc h LEU 60 Cb 1.17 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3kvc h LEU 60 CO 0.58 0.00 0.10 0.49 -0.34 0.00 0.00 178.44 179.27 3kvc n PHE 61 N -4.17 2.05 -0.08 1.25 3.72 -1.26 -4.45 117.46 114.52 3kvc n PHE 61 Ca 0.23 -0.84 -0.08 0.00 -0.05 0.00 0.00 57.45 56.71 3kvc n PHE 61 Cb 1.15 -0.55 -0.11 0.00 -0.94 0.00 0.00 39.48 39.03 3kvc n PHE 61 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kvc n ASP 62 N 0.30 1.55 -4.65 4.37 8.00 -0.61 -4.49 116.55 121.02 3kvc n ASP 62 Ca 0.30 -0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.41 3kvc n ASP 62 Cb 1.19 0.68 0.05 0.00 -0.02 0.00 0.00 41.12 43.02 3kvc n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvc n GLY 63 N 2.17 -0.03 3.74 0.44 0.00 -1.26 -4.89 105.19 105.36 3kvc n GLY 63 Ca -0.25 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3kvc n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kvc s GLN 64 N -2.86 4.49 0.17 1.61 -1.52 -0.86 -4.51 119.66 116.19 3kvc s GLN 64 Ca 0.76 1.91 -0.32 0.00 -1.95 0.00 0.00 55.36 55.76 3kvc s GLN 64 Cb -0.42 -3.21 -0.12 0.00 -0.22 0.00 0.00 33.01 29.04 3kvc s GLN 64 CO 0.46 -0.06 1.73 0.00 -0.25 0.00 0.00 175.29 177.17 3kvc n ALA 65 N 2.16 2.37 -3.13 6.09 0.00 -1.26 -1.15 120.51 125.58 3kvc n ALA 65 Ca 0.03 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 3kvc n ALA 65 Cb 0.44 -2.51 -0.17 0.00 0.00 0.00 0.00 19.45 17.21 3kvc n ALA 65 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kvc s LEU 66 N 1.59 1.99 -0.23 0.00 2.96 0.73 -1.24 118.68 124.48 3kvc s LEU 66 Ca 0.78 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.13 3kvc s LEU 66 Cb -0.54 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3kvc s LEU 66 CO 0.35 0.15 0.10 -0.22 -1.32 0.00 0.00 176.35 175.41 3kvc s LEU 67 N 0.27 3.75 0.05 -0.68 2.96 -0.29 -2.19 118.68 122.55 3kvc s LEU 67 Ca -0.14 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3kvc s LEU 67 Cb -0.16 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3kvc s LEU 67 CO 0.06 0.06 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.01 3kvc s HIS 68 N 1.07 2.66 -0.06 5.38 3.76 0.02 -1.46 115.29 126.66 3kvc s HIS 68 Ca 0.05 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 3kvc s HIS 68 Cb -0.14 -1.48 0.04 0.00 1.11 0.00 0.00 32.58 32.11 3kvc s HIS 68 CO 0.04 0.32 0.11 0.21 -0.85 0.00 0.00 174.74 174.57 3kvc s LYS 69 N -1.65 0.02 -0.21 1.40 2.20 0.23 -1.44 119.74 120.29 3kvc s LYS 69 Ca 0.17 0.40 -0.06 0.00 -0.36 0.00 0.00 55.97 56.12 3kvc s LYS 69 Cb -0.11 -0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 3kvc s LYS 69 CO 0.08 -0.24 0.02 -0.06 -0.36 0.00 0.00 175.35 174.79 3kvc s PHE 70 N 1.70 3.07 -0.12 4.03 0.08 -0.33 -0.91 117.98 125.50 3kvc s PHE 70 Ca -0.03 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 3kvc s PHE 70 Cb -0.12 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3kvc s PHE 70 CO -0.05 -0.24 0.04 -0.51 -0.10 0.00 0.00 175.22 174.36 3kvc s ASP 71 N 1.10 5.50 -0.12 1.36 1.01 -0.47 -0.38 116.67 124.67 3kvc s ASP 71 Ca 0.03 0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.48 3kvc s ASP 71 Cb -0.14 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.06 3kvc s ASP 71 CO 0.02 0.32 -0.21 -0.36 0.21 0.00 0.00 175.17 175.15 3kvc s PHE 72 N -0.50 2.65 -0.22 4.23 0.40 0.61 -1.72 117.98 123.42 3kvc s PHE 72 Ca 0.10 -1.08 -0.10 0.00 -0.60 0.00 0.00 56.93 55.25 3kvc s PHE 72 Cb -0.12 -1.78 0.09 0.00 0.51 0.00 0.00 43.02 41.72 3kvc s PHE 72 CO 0.02 -0.45 0.51 0.21 0.70 0.00 0.00 175.22 176.20 3kvc s LYS 73 N 0.53 0.45 -1.61 0.44 2.20 -0.76 -2.20 119.74 118.80 3kvc s LYS 73 Ca -0.13 1.09 -0.14 0.00 -0.36 0.00 0.00 55.97 56.43 3kvc s LYS 73 Cb -0.17 0.32 0.11 0.00 -1.51 0.00 0.00 37.83 36.58 3kvc s LYS 73 CO 0.05 -0.20 0.77 0.39 -0.36 0.00 0.00 175.35 175.99 3kvc n GLU 74 N 4.93 -3.75 -0.74 4.03 1.02 -1.26 -1.62 120.64 123.25 3kvc n GLU 74 Ca -0.15 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3kvc n GLU 74 Cb 0.52 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 3kvc n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kvc n GLY 75 N -1.57 0.72 3.44 0.62 0.00 -1.26 -5.04 105.19 102.10 3kvc n GLY 75 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3kvc n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kvc s HIS 76 N -2.53 2.10 -0.05 1.61 3.76 -0.64 -4.57 115.29 114.96 3kvc s HIS 76 Ca 0.00 -0.48 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 3kvc s HIS 76 Cb 0.00 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.69 3kvc s HIS 76 CO 0.00 0.53 0.13 0.08 -0.85 0.00 0.00 174.74 174.62 3kvc s VAL 77 N -2.73 -0.03 0.28 -0.90 1.01 -1.26 -1.82 120.40 114.95 3kvc s VAL 77 Ca 0.28 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.49 3kvc s VAL 77 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3kvc s VAL 77 CO 0.13 0.05 -0.06 0.42 0.00 0.00 0.00 175.10 175.63 3kvc s THR 78 N 0.80 2.99 -0.03 3.92 -4.23 -0.70 -0.86 115.64 117.54 3kvc s THR 78 Ca -0.06 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 3kvc s THR 78 Cb -0.08 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3kvc s THR 78 CO -0.04 -0.35 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.11 3kvc s TYR 79 N -2.42 1.10 -0.00 3.99 5.04 0.29 -1.37 117.35 123.99 3kvc s TYR 79 Ca 0.32 -0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.56 3kvc s TYR 79 Cb -0.05 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.51 3kvc s TYR 79 CO 0.18 -0.10 0.21 -1.58 -1.34 0.00 0.00 175.55 172.92 3kvc s HIS 80 N 0.10 -0.05 -0.11 4.97 5.65 -0.09 -0.50 115.29 125.27 3kvc s HIS 80 Ca -0.02 0.03 -0.14 0.00 0.25 0.00 0.00 55.06 55.18 3kvc s HIS 80 Cb -0.09 0.01 0.03 0.00 -1.18 0.00 0.00 32.58 31.36 3kvc s HIS 80 CO 0.01 -0.33 0.37 -0.98 -0.65 0.00 0.00 174.74 173.15 3kvc s ARG 81 N -1.37 0.51 -0.02 2.88 1.70 -1.26 -0.60 118.95 120.79 3kvc s ARG 81 Ca -0.14 0.35 -0.03 0.00 -0.47 0.00 0.00 55.73 55.44 3kvc s ARG 81 Cb -0.07 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 3kvc s ARG 81 CO 0.03 -0.09 0.07 1.03 -1.08 0.00 0.00 175.30 175.26 3kvc s ARG 82 N -0.20 0.10 0.33 3.89 1.81 -0.54 -1.84 118.95 122.51 3kvc s ARG 82 Ca -0.03 0.07 -0.29 0.00 -1.72 0.00 0.00 55.73 53.75 3kvc s ARG 82 Cb -0.03 0.05 -0.11 0.00 -0.45 0.00 0.00 34.95 34.41 3kvc s ARG 82 CO 0.02 -0.01 1.43 -0.06 -0.68 0.00 0.00 175.30 175.99 3kvc s PHE 83 N -0.04 2.83 -0.01 -0.53 0.08 -1.26 -1.14 117.98 117.90 3kvc s PHE 83 Ca -0.01 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.93 3kvc s PHE 83 Cb -0.01 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.53 3kvc s PHE 83 CO 0.00 -2.62 1.11 0.42 -0.10 0.00 0.00 175.22 174.04 3kvc s ILE 84 N -0.83 4.43 -1.43 0.64 1.01 -0.37 -4.87 121.20 119.78 3kvc s ILE 84 Ca 0.54 1.74 -0.09 0.00 0.00 0.00 0.00 60.65 62.83 3kvc s ILE 84 Cb -0.44 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 37.97 3kvc s ILE 84 CO 0.55 0.07 2.41 0.54 0.00 0.00 0.00 174.94 178.51 3kvc n ARG 85 N 4.46 3.77 -1.32 2.79 5.12 -1.26 -4.72 116.66 125.50 3kvc n ARG 85 Ca 0.09 -2.94 -0.29 0.00 -1.93 0.00 0.00 57.85 52.78 3kvc n ARG 85 Cb 0.48 -2.88 0.17 0.00 -1.16 0.00 0.00 32.46 29.07 3kvc n ARG 85 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3kvc s THR 86 N 1.03 1.97 0.22 0.55 -4.23 -1.26 -4.82 115.64 109.10 3kvc s THR 86 Ca 0.54 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 3kvc s THR 86 Cb 0.15 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.56 3kvc s THR 86 CO -0.06 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.34 3kvc h ASP 87 N -1.80 0.87 -0.37 3.99 3.32 -1.92 -1.51 116.42 119.00 3kvc h ASP 87 Ca -0.52 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.54 3kvc h ASP 87 Cb 1.33 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3kvc h ASP 87 CO 0.58 0.62 0.17 0.00 -1.72 0.00 0.00 179.24 178.88 3kvc h ALA 88 N 1.30 0.45 -0.04 3.45 0.00 -1.92 -0.94 119.26 121.55 3kvc h ALA 88 Ca 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3kvc h ALA 88 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kvc h ALA 88 CO -0.08 -0.21 -0.02 -0.92 0.00 0.00 0.00 179.25 178.02 3kvc h TYR 89 N 0.35 0.11 0.01 0.00 3.20 -1.82 -2.16 116.97 116.65 3kvc h TYR 89 Ca 0.16 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3kvc h TYR 89 Cb 0.09 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3kvc h TYR 89 CO -0.11 0.49 -0.00 0.28 -1.64 0.00 0.00 178.16 177.18 3kvc h VAL 90 N -0.31 1.02 -0.77 1.81 2.07 -1.24 0.11 116.25 118.94 3kvc h VAL 90 Ca 0.01 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3kvc h VAL 90 Cb 0.47 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3kvc h VAL 90 CO 0.01 0.02 0.34 0.03 0.02 0.00 0.00 177.57 177.99 3kvc h ARG 91 N -0.04 1.14 -0.85 1.57 3.08 -1.28 0.12 114.38 118.11 3kvc h ARG 91 Ca -0.00 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3kvc h ARG 91 Cb 0.04 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3kvc h ARG 91 CO 0.00 0.91 0.55 0.00 -1.07 0.00 0.00 179.97 180.36 3kvc h ALA 92 N 1.17 1.10 -0.30 0.04 0.00 -1.14 0.69 119.26 120.82 3kvc h ALA 92 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kvc h ALA 92 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kvc h ALA 92 CO -0.03 0.43 -0.03 0.52 0.00 0.00 0.00 179.25 180.14 3kvc h MET 93 N 1.10 0.55 -0.31 0.00 2.86 -0.36 0.18 114.93 118.95 3kvc h MET 93 Ca 0.33 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3kvc h MET 93 Cb -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3kvc h MET 93 CO -0.09 0.71 0.09 1.15 1.06 0.00 0.00 176.91 179.82 3kvc h THR 94 N 0.33 1.21 -0.00 2.22 2.02 -0.59 -3.21 112.91 114.88 3kvc h THR 94 Ca 0.08 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3kvc h THR 94 Cb 0.48 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3kvc h THR 94 CO 0.02 0.23 -0.49 -0.62 0.37 0.00 0.00 175.52 175.03 3kvc n GLU 95 N -4.68 0.31 -3.04 6.66 1.02 0.22 -4.95 120.64 116.18 3kvc n GLU 95 Ca -0.02 -0.20 -0.22 0.00 -0.02 0.00 0.00 57.16 56.70 3kvc n GLU 95 Cb 0.18 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3kvc n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kvc n LYS 96 N -1.17 -4.35 -3.96 3.49 5.02 0.63 -4.97 118.16 112.86 3kvc n LYS 96 Ca 0.07 0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 57.10 3kvc n LYS 96 Cb 0.35 -5.64 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 3kvc n LYS 96 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3kvc s ARG 97 N -5.71 1.64 -0.32 1.97 1.70 -1.16 -4.75 118.95 112.33 3kvc s ARG 97 Ca 0.30 -1.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.08 3kvc s ARG 97 Cb -0.14 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3kvc s ARG 97 CO 0.37 -0.71 1.36 0.42 -1.08 0.00 0.00 175.30 175.66 3kvc s ILE 98 N -3.93 4.03 -0.25 4.99 1.01 -1.26 -4.17 121.20 121.62 3kvc s ILE 98 Ca 0.19 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 3kvc s ILE 98 Cb -0.02 -4.13 -0.17 0.00 0.01 0.00 0.00 42.46 38.14 3kvc s ILE 98 CO 0.09 -0.54 -0.19 0.52 0.00 0.00 0.00 174.94 174.82 3kvc n VAL 99 N 6.47 1.52 -3.97 2.92 0.31 -1.26 -4.75 118.33 119.57 3kvc n VAL 99 Ca 0.16 -0.55 -0.35 0.00 -0.01 0.00 0.00 64.34 63.59 3kvc n VAL 99 Cb 0.47 -1.52 -0.09 0.00 -0.91 0.00 0.00 33.84 31.78 3kvc n VAL 99 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kvc s ILE 100 N -2.52 4.88 0.21 2.52 -1.09 -1.26 -4.80 121.20 119.14 3kvc s ILE 100 Ca -0.34 -0.00 -0.32 0.00 -2.23 0.00 0.00 60.65 57.76 3kvc s ILE 100 Cb 0.10 -3.20 -0.12 0.00 -1.58 0.00 0.00 42.46 37.66 3kvc s ILE 100 CO 0.60 0.46 1.72 -0.89 -1.23 0.00 0.00 174.94 175.60 3kvc s THR 101 N 0.31 2.04 0.50 2.92 2.01 -1.26 -4.60 115.64 117.56 3kvc s THR 101 Ca 0.04 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.15 3kvc s THR 101 Cb -0.12 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.42 3kvc s THR 101 CO -0.00 0.00 0.65 -1.61 -0.69 0.00 0.00 174.62 172.97 3kvc s GLU 102 N 1.13 2.50 0.22 4.92 0.41 -0.07 -4.35 118.70 123.47 3kvc s GLU 102 Ca 0.74 -1.53 -0.16 0.00 -0.41 0.00 0.00 54.97 53.61 3kvc s GLU 102 Cb -0.50 -2.61 0.24 0.00 -1.78 0.00 0.00 34.13 29.48 3kvc s GLU 102 CO 0.32 -0.58 1.57 0.35 -0.49 0.00 0.00 175.26 176.44 3kvc h PHE 103 N 0.46 -0.83 -0.07 1.61 3.57 -1.92 -2.78 116.94 116.97 3kvc h PHE 103 Ca -0.35 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3kvc h PHE 103 Cb 1.28 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.51 3kvc h PHE 103 CO 0.48 -0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.58 3kvc n GLY 104 N -1.48 4.51 2.68 2.40 0.00 -1.26 -1.71 105.19 110.32 3kvc n GLY 104 Ca 0.09 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 3kvc n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvc s THR 105 N -2.70 0.08 0.15 2.61 2.01 -1.05 -4.40 115.64 112.33 3kvc s THR 105 Ca 0.32 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3kvc s THR 105 Cb 0.27 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 72.26 3kvc s THR 105 CO 0.05 0.04 1.25 0.00 -0.69 0.00 0.00 174.62 175.26 3kvc n ALA 107 N 3.04 0.00 -1.06 0.00 0.00 -1.26 -4.93 120.51 116.30 3kvc n ALA 107 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3kvc n ALA 107 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3kvc n ALA 107 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kvc n GLU 127 N -0.42 0.00 -2.50 0.00 2.13 -1.26 -4.91 120.64 113.67 3kvc n GLU 127 Ca 0.00 0.35 -0.41 0.00 0.66 0.00 0.00 57.16 57.76 3kvc n GLU 127 Cb 0.00 -1.06 -0.04 0.00 0.27 0.00 0.00 31.44 30.61 3kvc n GLU 127 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kvc s VAL 128 N -2.03 3.84 0.37 6.31 1.01 -1.26 -4.62 120.40 124.02 3kvc s VAL 128 Ca 0.00 1.59 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 3kvc s VAL 128 Cb 0.00 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 3kvc s VAL 128 CO 0.00 0.28 1.43 0.28 0.00 0.00 0.00 175.10 177.08 3kvc s THR 129 N -0.26 2.27 -0.19 3.92 -1.32 -1.26 -4.92 115.64 113.87 3kvc s THR 129 Ca 0.49 0.27 0.15 0.00 -1.21 0.00 0.00 61.69 61.39 3kvc s THR 129 Cb -0.30 -3.17 0.43 0.00 -1.51 0.00 0.00 72.50 67.95 3kvc s THR 129 CO 0.35 0.06 1.31 -0.90 -2.21 0.00 0.00 174.62 173.24 3kvc n ASP 130 N 0.54 2.78 -4.56 8.08 5.75 -1.26 -4.72 116.55 123.16 3kvc n ASP 130 Ca 0.01 -3.32 -0.31 0.00 -0.01 0.00 0.00 54.79 51.15 3kvc n ASP 130 Cb 0.40 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.92 3kvc n ASP 130 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3kvc s ASN 131 N -2.56 5.09 -1.41 -1.12 2.47 -1.26 -4.82 114.94 111.33 3kvc s ASN 131 Ca 0.39 -0.17 -0.08 0.00 0.42 0.00 0.00 52.86 53.42 3kvc s ASN 131 Cb 0.34 -2.54 0.06 0.00 -1.45 0.00 0.00 41.25 37.66 3kvc s ASN 131 CO 0.03 -2.67 2.46 0.00 -3.72 0.00 0.00 177.10 173.20 3kvc n ALA 132 N 13.84 6.73 1.28 1.71 0.00 -1.26 -4.44 120.51 138.37 3kvc n ALA 132 Ca 0.33 -3.95 0.13 0.00 0.00 0.00 0.00 53.44 49.95 3kvc n ALA 132 Cb 0.49 -3.03 0.38 0.00 0.00 0.00 0.00 19.45 17.29 3kvc n ALA 132 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3kvc n LEU 133 N 2.88 2.02 -0.11 0.00 -0.00 -1.19 -4.11 117.00 116.49 3kvc n LEU 133 Ca 0.63 -0.71 -0.21 0.00 -0.00 0.00 0.00 56.01 55.73 3kvc n LEU 133 Cb 0.27 -0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.58 3kvc n LEU 133 CO 0.77 0.35 -0.86 0.52 -0.00 0.00 0.00 177.39 178.18 3kvc n VAL 134 N 0.58 1.51 -3.92 1.47 0.31 -0.59 -2.63 118.33 115.06 3kvc n VAL 134 Ca 0.17 -0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 3kvc n VAL 134 Cb 0.43 -2.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 3kvc n VAL 134 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kvc s ASN 135 N -6.80 -0.11 -0.02 4.52 2.47 -1.08 -2.46 114.94 111.45 3kvc s ASN 135 Ca -0.31 -0.84 0.01 0.00 0.42 0.00 0.00 52.86 52.15 3kvc s ASN 135 Cb 0.08 0.68 0.01 0.00 -1.45 0.00 0.00 41.25 40.58 3kvc s ASN 135 CO 0.48 -1.30 -0.03 -0.51 -3.72 0.00 0.00 177.10 172.02 3kvc s ILE 136 N -3.75 0.34 0.10 -5.21 2.07 -1.26 0.05 121.20 113.54 3kvc s ILE 136 Ca 0.17 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.30 3kvc s ILE 136 Cb -0.03 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 3kvc s ILE 136 CO 0.09 0.15 0.09 -0.72 -1.91 0.00 0.00 174.94 172.64 3kvc s TYR 137 N 0.58 0.53 0.11 3.50 -0.85 0.36 -4.66 117.35 116.93 3kvc s TYR 137 Ca -0.06 -0.97 -0.20 0.00 -0.52 0.00 0.00 57.07 55.32 3kvc s TYR 137 Cb -0.10 -0.30 -0.07 0.00 0.38 0.00 0.00 41.96 41.87 3kvc s TYR 137 CO -0.01 -0.51 0.62 -1.25 -1.52 0.00 0.00 175.55 172.88 3kvc s PRO 138 N -3.95 4.24 -0.07 -3.49 0.04 -1.26 -1.20 135.00 129.30 3kvc s PRO 138 Ca 0.13 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3kvc s PRO 138 Cb 0.06 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.46 3kvc s PRO 138 CO -0.05 0.58 -0.05 0.08 0.04 0.00 0.00 177.00 177.60 3kvc s VAL 139 N -1.20 0.69 0.00 -0.36 1.01 -0.28 -4.96 120.40 115.30 3kvc s VAL 139 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3kvc s VAL 139 Cb -0.19 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3kvc s VAL 139 CO 0.20 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3kvc n GLY 140 N 4.56 2.41 0.76 4.51 0.00 -1.26 -0.25 105.19 115.92 3kvc n GLY 140 Ca -0.16 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3kvc n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvc n GLU 141 N 14.00 2.00 -3.97 1.61 1.02 -1.26 -4.92 120.64 129.12 3kvc n GLU 141 Ca 0.00 -1.50 -0.22 0.00 -0.02 0.00 0.00 57.16 55.42 3kvc n GLU 141 Cb 0.00 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 3kvc n GLU 141 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kvc s ASP 142 N -1.55 5.20 0.00 1.62 1.01 0.66 -5.11 116.67 118.50 3kvc s ASP 142 Ca 0.34 -0.49 0.06 0.00 0.71 0.00 0.00 52.55 53.17 3kvc s ASP 142 Cb 0.19 -1.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.07 3kvc s ASP 142 CO 0.28 -0.24 -0.18 -0.31 0.21 0.00 0.00 175.17 174.93 3kvc s TYR 143 N -2.28 1.57 -0.08 4.23 1.51 -1.26 -1.12 117.35 119.91 3kvc s TYR 143 Ca 0.38 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 3kvc s TYR 143 Cb -0.06 -0.99 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3kvc s TYR 143 CO 0.25 -0.00 -0.09 0.71 -1.11 0.00 0.00 175.55 175.31 3kvc s TYR 144 N -0.52 1.32 0.29 2.71 2.02 -0.34 -1.31 117.35 121.52 3kvc s TYR 144 Ca 0.06 -0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 3kvc s TYR 144 Cb -0.07 -1.05 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 3kvc s TYR 144 CO -0.00 -0.35 0.73 0.00 -1.57 0.00 0.00 175.55 174.36 3kvc s ALA 145 N 1.15 3.35 0.16 3.71 0.00 -0.45 -0.49 121.76 129.19 3kvc s ALA 145 Ca -0.06 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3kvc s ALA 145 Cb -0.14 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3kvc s ALA 145 CO -0.02 0.34 0.17 0.00 0.00 0.00 0.00 175.76 176.25 3kvc n THR 147 N -0.18 0.00 -0.93 0.00 5.66 -1.26 -1.54 114.28 116.03 3kvc n THR 147 Ca -0.05 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.04 3kvc n THR 147 Cb 0.64 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.60 3kvc n THR 147 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kvc n GLU 148 N 0.00 2.12 -0.35 1.09 1.02 -1.26 -3.69 120.64 119.57 3kvc n GLU 148 Ca 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 3kvc n GLU 148 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 3kvc n GLU 148 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kvc n THR 149 N -0.92 0.00 0.80 2.62 -2.24 -1.26 -3.20 114.28 110.09 3kvc n THR 149 Ca 0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 3kvc n THR 149 Cb 0.71 -0.86 0.49 0.00 -2.10 0.00 0.00 70.33 68.57 3kvc n THR 149 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3kvc n ASN 150 N -0.84 0.45 -4.54 3.42 6.94 -1.24 -2.26 115.26 117.18 3kvc n ASN 150 Ca 0.00 0.52 -0.40 0.00 -0.02 0.00 0.00 54.58 54.69 3kvc n ASN 150 Cb 0.00 -0.63 -0.11 0.00 -2.36 0.00 0.00 39.78 36.68 3kvc n ASN 150 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3kvc s PHE 151 N -3.06 3.23 0.14 -2.53 0.08 -1.26 -0.19 117.98 114.39 3kvc s PHE 151 Ca 0.12 -0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.13 3kvc s PHE 151 Cb 0.15 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 3kvc s PHE 151 CO 0.57 -0.31 -0.14 0.96 -0.10 0.00 0.00 175.22 176.20 3kvc s ILE 152 N 1.74 3.05 -0.26 0.64 -4.36 -0.53 -4.46 121.20 117.02 3kvc s ILE 152 Ca 0.06 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 3kvc s ILE 152 Cb -0.17 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.14 3kvc s ILE 152 CO 0.11 0.02 -0.08 -0.89 0.24 0.00 0.00 174.94 174.33 3kvc s THR 153 N -1.38 2.55 0.26 8.37 2.01 -0.41 -0.22 115.64 126.82 3kvc s THR 153 Ca 0.21 -1.32 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 3kvc s THR 153 Cb -0.10 -2.38 -0.10 0.00 0.01 0.00 0.00 72.50 69.92 3kvc s THR 153 CO 0.13 0.09 1.49 -0.75 -0.69 0.00 0.00 174.62 174.88 3kvc s LYS 154 N 1.22 4.23 0.03 4.92 2.20 0.15 -1.34 119.74 131.15 3kvc s LYS 154 Ca -0.04 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 3kvc s LYS 154 Cb -0.18 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3kvc s LYS 154 CO -0.05 -0.49 -0.04 0.14 -0.36 0.00 0.00 175.35 174.56 3kvc s VAL 155 N 0.05 0.19 -0.34 4.02 -7.23 -0.43 -0.97 120.40 115.69 3kvc s VAL 155 Ca 0.61 -1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 59.49 3kvc s VAL 155 Cb -0.44 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.03 3kvc s VAL 155 CO 0.44 -0.55 0.77 0.21 -0.31 0.00 0.00 175.10 175.66 3kvc s ASN 156 N -1.68 6.58 0.45 4.85 3.84 0.05 -4.28 114.94 124.75 3kvc s ASN 156 Ca -0.12 0.46 0.31 0.00 0.21 0.00 0.00 52.86 53.71 3kvc s ASN 156 Cb -0.08 -2.39 1.30 0.00 -0.55 0.00 0.00 41.25 39.53 3kvc s ASN 156 CO -0.02 -0.68 1.91 1.55 -2.79 0.00 0.00 177.10 177.07 3kvc h PRO 157 N 8.34 0.00 0.06 0.43 0.13 -1.93 0.12 132.00 139.15 3kvc h PRO 157 Ca -0.25 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.56 3kvc h PRO 157 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 3kvc h PRO 157 CO 0.89 0.00 -1.77 0.39 -0.23 0.00 0.00 178.00 177.29 3kvc n GLU 158 N -2.76 0.66 -0.00 0.86 1.02 -1.26 -4.54 120.64 114.61 3kvc n GLU 158 Ca 0.01 0.39 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 3kvc n GLU 158 Cb 0.25 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.83 3kvc n GLU 158 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kvc n THR 159 N -3.92 0.00 -1.36 2.62 -2.24 -1.22 -4.98 114.28 103.19 3kvc n THR 159 Ca -0.35 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 3kvc n THR 159 Cb 0.88 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 3kvc n THR 159 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kvc n LEU 160 N -1.83 -0.87 -4.83 3.22 4.77 0.42 -4.97 117.00 112.91 3kvc n LEU 160 Ca 0.01 0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 3kvc n LEU 160 Cb 0.43 -1.82 -0.06 0.00 -2.33 0.00 0.00 43.42 39.64 3kvc n LEU 160 CO 0.44 -0.60 0.62 -1.61 -1.33 0.00 0.00 177.39 174.92 3kvc s GLU 161 N -3.03 4.16 -0.03 3.23 0.41 -1.24 -4.79 118.70 117.42 3kvc s GLU 161 Ca 0.00 1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 55.35 3kvc s GLU 161 Cb 0.00 -2.21 -0.04 0.00 -1.78 0.00 0.00 34.13 30.10 3kvc s GLU 161 CO 0.00 -0.04 0.75 0.99 -0.49 0.00 0.00 175.26 176.47 3kvc s THR 162 N -2.22 4.94 -0.24 3.63 2.01 -1.26 -0.77 115.64 121.72 3kvc s THR 162 Ca 0.61 1.56 -0.13 0.00 0.31 0.00 0.00 61.69 64.03 3kvc s THR 162 Cb -0.09 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 3kvc s THR 162 CO 0.16 0.28 -0.32 -0.38 -0.69 0.00 0.00 174.62 173.67 3kvc n ILE 163 N 3.49 1.39 -3.58 1.82 5.41 -0.14 -4.93 119.36 122.81 3kvc n ILE 163 Ca -0.01 -0.29 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 3kvc n ILE 163 Cb 0.51 -1.90 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 3kvc n ILE 163 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3kvc s LYS 164 N -2.51 0.85 0.04 0.38 2.20 -1.08 -4.99 119.74 114.63 3kvc s LYS 164 Ca -0.34 0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 55.62 3kvc s LYS 164 Cb 0.12 0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 36.79 3kvc s LYS 164 CO 0.44 -0.19 0.64 -1.14 -0.36 0.00 0.00 175.35 174.73 3kvc s GLN 165 N -0.42 4.35 -0.13 4.03 0.74 -1.26 0.33 119.66 127.30 3kvc s GLN 165 Ca -0.04 0.84 0.02 0.00 0.05 0.00 0.00 55.36 56.23 3kvc s GLN 165 Cb -0.03 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.78 3kvc s GLN 165 CO 0.04 0.43 -0.20 0.08 -0.55 0.00 0.00 175.29 175.09 3kvc s VAL 166 N -0.47 1.89 -0.41 1.34 1.01 0.69 -4.94 120.40 119.51 3kvc s VAL 166 Ca 0.32 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 3kvc s VAL 166 Cb -0.19 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3kvc s VAL 166 CO 0.20 0.52 0.39 -0.62 0.00 0.00 0.00 175.10 175.58 3kvc s ASP 167 N 0.85 6.17 0.50 3.32 -1.08 -1.26 -1.45 116.67 123.71 3kvc s ASP 167 Ca -0.07 -0.73 0.17 0.00 -0.52 0.00 0.00 52.55 51.40 3kvc s ASP 167 Cb -0.15 -2.20 1.22 0.00 -1.46 0.00 0.00 42.92 40.32 3kvc s ASP 167 CO -0.01 -0.53 2.09 -0.07 0.52 0.00 0.00 175.17 177.17 3kvc h LEU 168 N 8.90 0.00 -2.48 -1.34 3.38 -0.96 -1.39 115.31 121.42 3kvc h LEU 168 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kvc h LEU 168 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kvc h LEU 168 CO 0.77 0.08 0.02 0.00 0.09 0.00 0.00 178.44 179.40 3kvc h ASN 170 N 0.00 0.00 0.00 0.00 2.35 -1.64 -3.37 115.58 112.92 3kvc h ASN 170 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kvc h ASN 170 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kvc h ASN 170 CO 0.00 0.00 -0.76 -1.22 -1.65 0.00 0.00 177.43 173.80 3kvc n TYR 171 N -2.37 0.00 -3.85 1.19 4.01 -0.21 -5.11 117.16 110.82 3kvc n TYR 171 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 3kvc n TYR 171 Cb 0.24 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 3kvc n TYR 171 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3kvc s VAL 172 N -1.76 0.12 -0.75 -0.72 -7.23 -0.56 -4.87 120.40 104.63 3kvc s VAL 172 Ca 0.00 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 3kvc s VAL 172 Cb 0.00 -1.05 0.11 0.00 0.56 0.00 0.00 36.38 36.00 3kvc s VAL 172 CO 0.00 -0.55 0.93 -0.94 -0.31 0.00 0.00 175.10 174.24 3kvc s SER 173 N -2.34 6.39 0.01 4.85 1.04 -1.26 -4.18 113.70 118.20 3kvc s SER 173 Ca -0.02 -1.63 -0.13 0.00 0.48 0.00 0.00 55.95 54.65 3kvc s SER 173 Cb 0.01 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.78 3kvc s SER 173 CO -0.06 -1.14 0.27 0.68 0.98 0.00 0.00 173.24 173.96 3kvc s VAL 174 N 2.86 0.07 -0.02 5.02 -7.23 -1.26 -4.81 120.40 115.04 3kvc s VAL 174 Ca 0.23 -0.62 0.11 0.00 -1.81 0.00 0.00 61.98 59.89 3kvc s VAL 174 Cb -0.14 -0.71 -0.11 0.00 0.56 0.00 0.00 36.38 35.98 3kvc s VAL 174 CO 0.00 -0.34 1.24 0.78 -0.31 0.00 0.00 175.10 176.47 3kvc h ASN 175 N 3.72 0.00 -2.24 4.85 2.35 -1.37 -3.42 115.58 119.46 3kvc h ASN 175 Ca -0.31 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3kvc h ASN 175 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 3kvc h ASN 175 CO 0.43 0.79 0.29 0.61 -1.65 0.00 0.00 177.43 177.89 3kvc n GLY 176 N 1.33 1.09 3.22 2.83 0.00 -1.26 -3.71 105.19 108.69 3kvc n GLY 176 Ca -0.02 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3kvc n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvc s ALA 177 N -1.76 -0.55 0.91 4.61 0.00 -0.96 -4.21 121.76 119.80 3kvc s ALA 177 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 3kvc s ALA 177 Cb -0.03 0.28 0.14 0.00 0.00 0.00 0.00 23.12 23.51 3kvc s ALA 177 CO 0.07 -0.38 1.10 0.95 0.00 0.00 0.00 175.76 177.50 3kvc s THR 178 N -2.45 2.49 -1.81 0.00 -4.23 -1.02 -3.98 115.64 104.64 3kvc s THR 178 Ca -0.06 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 60.70 3kvc s THR 178 Cb -0.01 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.37 3kvc s THR 178 CO -0.03 -0.21 1.19 0.00 -0.54 0.00 0.00 174.62 175.04 3kvc n ALA 179 N -3.86 2.54 -3.11 3.99 0.00 -1.24 -4.42 120.51 114.41 3kvc n ALA 179 Ca 0.06 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.70 3kvc n ALA 179 Cb 0.57 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 3kvc n ALA 179 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvc n HIS 180 N 0.37 2.15 -1.87 0.00 8.25 -1.26 -4.74 115.22 118.11 3kvc n HIS 180 Ca 0.10 -3.91 -0.36 0.00 -0.26 0.00 0.00 57.72 53.30 3kvc n HIS 180 Cb 0.31 -0.46 0.05 0.00 1.12 0.00 0.00 29.99 31.01 3kvc n HIS 180 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3kvc s PRO 181 N -2.76 2.78 0.14 -0.41 0.04 -1.26 -4.63 135.00 128.90 3kvc s PRO 181 Ca 0.43 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 3kvc s PRO 181 Cb 0.28 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.85 3kvc s PRO 181 CO -0.10 -1.36 0.49 -1.01 0.04 0.00 0.00 177.00 175.06 3kvc s HIS 182 N -1.66 3.55 -0.18 0.56 3.76 -0.06 -4.93 115.29 116.33 3kvc s HIS 182 Ca 0.77 0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 56.56 3kvc s HIS 182 Cb -0.31 -2.25 0.05 0.00 1.11 0.00 0.00 32.58 31.18 3kvc s HIS 182 CO 0.36 0.42 -0.02 0.42 -0.85 0.00 0.00 174.74 175.07 3kvc s ILE 183 N -1.54 0.98 0.85 0.60 1.01 -1.26 -0.89 121.20 120.95 3kvc s ILE 183 Ca 0.39 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3kvc s ILE 183 Cb -0.14 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.17 3kvc s ILE 183 CO 0.20 -0.01 1.09 -1.61 0.00 0.00 0.00 174.94 174.61 3kvc s GLU 184 N 1.67 1.63 0.51 2.79 2.02 0.27 -4.91 118.70 122.69 3kvc s GLU 184 Ca -0.01 0.76 0.16 0.00 0.02 0.00 0.00 54.97 55.91 3kvc s GLU 184 Cb -0.16 -1.86 1.26 0.00 0.10 0.00 0.00 34.13 33.47 3kvc s GLU 184 CO -0.07 -1.97 2.13 -0.91 0.02 0.00 0.00 175.26 174.46 3kvc h ASN 185 N -1.35 0.03 0.23 -0.19 2.35 -1.92 -1.44 115.58 113.30 3kvc h ASN 185 Ca -0.48 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3kvc h ASN 185 Cb 1.28 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3kvc h ASN 185 CO 0.56 0.02 -0.02 -0.90 -1.65 0.00 0.00 177.43 175.44 3kvc n ASP 186 N -4.52 0.19 0.00 5.81 5.68 -1.26 -4.91 116.55 117.55 3kvc n ASP 186 Ca -0.01 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 3kvc n ASP 186 Cb 0.14 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3kvc n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvc n GLY 187 N 1.15 0.47 3.72 6.12 0.00 -0.54 -4.67 105.19 111.44 3kvc n GLY 187 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kvc n GLY 187 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvc s THR 188 N -2.00 2.50 -0.19 2.61 2.01 -1.26 -4.44 115.64 114.87 3kvc s THR 188 Ca 0.00 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 3kvc s THR 188 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 3kvc s THR 188 CO 0.00 0.03 0.01 -0.69 -0.69 0.00 0.00 174.62 173.28 3kvc s VAL 189 N 1.09 4.18 -0.08 3.82 1.01 0.24 -0.57 120.40 130.09 3kvc s VAL 189 Ca 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3kvc s VAL 189 Cb -0.45 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3kvc s VAL 189 CO 0.32 0.44 -0.08 -0.31 0.00 0.00 0.00 175.10 175.48 3kvc s TYR 190 N 0.74 2.92 0.26 5.22 1.51 -0.07 0.42 117.35 128.35 3kvc s TYR 190 Ca 0.01 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 3kvc s TYR 190 Cb -0.14 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3kvc s TYR 190 CO 0.02 0.24 0.24 1.21 -1.11 0.00 0.00 175.55 176.15 3kvc s ASN 191 N -0.58 0.64 0.03 2.29 3.84 -0.23 -0.88 114.94 120.05 3kvc s ASN 191 Ca 0.09 -1.46 0.02 0.00 0.21 0.00 0.00 52.86 51.72 3kvc s ASN 191 Cb -0.12 0.48 -0.02 0.00 -0.55 0.00 0.00 41.25 41.05 3kvc s ASN 191 CO 0.02 -0.98 -0.07 -0.51 -2.79 0.00 0.00 177.10 172.76 3kvc s ILE 192 N -3.82 0.54 0.10 -5.21 2.07 -1.26 -0.91 121.20 112.71 3kvc s ILE 192 Ca 0.37 -0.81 -0.24 0.00 -1.41 0.00 0.00 60.65 58.56 3kvc s ILE 192 Cb 0.04 -0.56 0.06 0.00 0.13 0.00 0.00 42.46 42.14 3kvc s ILE 192 CO 0.17 -0.20 0.58 -0.83 -1.91 0.00 0.00 174.94 172.75 3kvc s GLY 193 N -1.10 -0.55 0.57 1.50 0.00 -0.85 -2.43 107.32 104.47 3kvc s GLY 193 Ca -0.05 0.62 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 3kvc s GLY 193 CO 0.00 0.29 1.02 0.54 0.00 0.00 0.00 173.10 174.95 3kvc s ASN 194 N -2.33 6.24 0.24 1.64 2.20 -1.26 -0.83 114.94 120.84 3kvc s ASN 194 Ca -0.02 1.58 -0.09 0.00 -0.94 0.00 0.00 52.86 53.39 3kvc s ASN 194 Cb -0.01 -2.50 -0.01 0.00 -2.00 0.00 0.00 41.25 36.73 3kvc s ASN 194 CO -0.07 -0.85 0.38 0.00 -2.94 0.00 0.00 177.10 173.62 3kvc n PHE 196 N -0.36 2.66 0.18 0.00 3.72 -1.26 -0.98 117.46 121.42 3kvc n PHE 196 Ca -0.00 -2.70 0.09 0.00 -0.05 0.00 0.00 57.45 54.79 3kvc n PHE 196 Cb 0.63 -1.55 0.61 0.00 -0.94 0.00 0.00 39.48 38.22 3kvc n PHE 196 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kvc h GLY 197 N 5.26 0.11 -3.71 1.37 0.00 -1.98 -3.46 103.07 100.65 3kvc h GLY 197 Ca 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3kvc h GLY 197 CO 1.37 0.04 -0.80 1.44 0.00 0.00 0.00 176.54 178.59 3kvc n SER 201 N -4.51 -7.54 -4.78 0.19 7.64 -1.26 -4.99 113.62 98.36 3kvc n SER 201 Ca -0.00 1.13 -0.36 0.00 1.01 0.00 0.00 58.87 60.64 3kvc n SER 201 Cb 0.15 -4.60 -0.03 0.00 -1.01 0.00 0.00 64.21 58.71 3kvc n SER 201 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kvc s ILE 202 N -3.23 3.60 0.36 0.44 1.09 -0.53 -4.99 121.20 117.94 3kvc s ILE 202 Ca 0.00 1.19 -0.05 0.00 -1.10 0.00 0.00 60.65 60.69 3kvc s ILE 202 Cb 0.00 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 3kvc s ILE 202 CO 0.00 -0.03 0.55 0.00 -0.10 0.00 0.00 174.94 175.37 3kvc s ALA 203 N -1.67 0.45 -0.12 9.38 0.00 -0.15 -4.10 121.76 125.55 3kvc s ALA 203 Ca 0.60 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3kvc s ALA 203 Cb -0.23 1.04 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3kvc s ALA 203 CO 0.28 -0.84 -0.22 0.71 0.00 0.00 0.00 175.76 175.69 3kvc s TYR 204 N -2.82 2.63 -0.09 0.00 1.51 -0.44 0.25 117.35 118.39 3kvc s TYR 204 Ca 0.27 -1.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 3kvc s TYR 204 Cb -0.02 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3kvc s TYR 204 CO 0.19 -0.45 0.04 -0.80 -1.11 0.00 0.00 175.55 173.42 3kvc s ASN 205 N 0.48 5.53 -0.24 2.29 0.01 -0.01 -0.09 114.94 122.92 3kvc s ASN 205 Ca -0.14 0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 52.07 3kvc s ASN 205 Cb -0.17 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 3kvc s ASN 205 CO 0.05 0.38 0.38 -0.63 -1.51 0.00 0.00 177.10 175.77 3kvc s ILE 206 N -0.94 5.19 -0.13 0.60 -1.09 -0.20 -2.01 121.20 122.63 3kvc s ILE 206 Ca 0.14 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 59.09 3kvc s ILE 206 Cb -0.12 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3kvc s ILE 206 CO 0.03 0.21 0.19 -0.69 -1.23 0.00 0.00 174.94 173.44 3kvc s VAL 207 N 1.69 5.41 -0.15 2.92 1.01 -0.09 -0.36 120.40 130.83 3kvc s VAL 207 Ca 0.17 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.47 3kvc s VAL 207 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3kvc s VAL 207 CO 0.09 0.55 -0.17 -0.75 0.00 0.00 0.00 175.10 174.82 3kvc s LYS 208 N -0.59 3.14 -0.28 2.72 2.20 0.30 -1.07 119.74 126.17 3kvc s LYS 208 Ca 0.15 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 3kvc s LYS 208 Cb -0.12 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 3kvc s LYS 208 CO 0.04 -0.02 0.09 0.42 -0.36 0.00 0.00 175.35 175.52 3kvc s ILE 209 N 0.87 4.28 0.90 5.43 1.01 0.17 -2.21 121.20 131.65 3kvc s ILE 209 Ca -0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 3kvc s ILE 209 Cb -0.15 -3.10 0.13 0.00 0.01 0.00 0.00 42.46 39.36 3kvc s ILE 209 CO -0.02 0.21 1.09 -2.16 0.00 0.00 0.00 174.94 174.07 3kvc s PRO 210 N 1.58 1.18 0.92 2.79 0.04 -1.26 -0.59 135.00 139.66 3kvc s PRO 210 Ca 0.05 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 3kvc s PRO 210 Cb -0.16 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.74 3kvc s PRO 210 CO 0.04 -2.36 1.10 -2.14 0.04 0.00 0.00 177.00 173.68 3kvc s PRO 211 N -4.82 1.06 0.18 0.56 0.02 -1.26 -4.69 135.00 126.04 3kvc s PRO 211 Ca 0.64 1.09 -0.32 0.00 0.02 0.00 0.00 61.00 62.43 3kvc s PRO 211 Cb -0.19 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3kvc s PRO 211 CO 0.58 -2.45 1.62 -1.17 -0.33 0.00 0.00 177.00 175.24 3kvc s LEU 212 N -6.42 4.37 0.00 -5.54 2.96 -1.26 -4.90 118.68 107.90 3kvc s LEU 212 Ca 0.65 2.70 0.02 0.00 -0.22 0.00 0.00 54.13 57.28 3kvc s LEU 212 Cb -0.20 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 42.99 3kvc s LEU 212 CO 0.58 -0.87 0.73 0.00 -1.32 0.00 0.00 176.35 175.47 3kvc n GLN 213 N 4.00 0.27 0.13 1.98 1.13 -1.26 -4.97 117.38 118.66 3kvc n GLN 213 Ca 0.15 -2.24 0.05 0.00 -1.94 0.00 0.00 57.00 53.02 3kvc n GLN 213 Cb 0.37 -0.41 0.49 0.00 0.11 0.00 0.00 30.24 30.80 3kvc n GLN 213 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kvc h ALA 214 N -0.31 1.74 0.00 -1.58 0.00 -1.99 -2.09 119.26 115.04 3kvc h ALA 214 Ca -0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kvc h ALA 214 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kvc h ALA 214 CO 0.29 0.20 -0.14 -0.44 0.00 0.00 0.00 179.25 179.16 3kvc h ASP 215 N 0.26 0.00 -0.46 0.00 3.45 -2.02 -3.46 116.42 114.19 3kvc h ASP 215 Ca 0.07 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.33 3kvc h ASP 215 Cb 0.10 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.79 3kvc h ASP 215 CO -0.00 0.14 -0.18 0.29 -1.57 0.00 0.00 179.24 177.92 3kvc n LYS 216 N -4.14 -0.79 -2.06 3.56 4.76 -0.79 -4.98 118.16 113.73 3kvc n LYS 216 Ca -0.02 0.81 -0.39 0.00 -2.87 0.00 0.00 58.31 55.84 3kvc n LYS 216 Cb 0.22 -4.75 0.00 0.00 -1.84 0.00 0.00 35.03 28.66 3kvc n LYS 216 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3kvc s GLU 217 N -2.71 3.83 -0.12 1.97 2.12 -1.26 -4.89 118.70 117.64 3kvc s GLU 217 Ca 0.00 2.09 -0.29 0.00 0.36 0.00 0.00 54.97 57.13 3kvc s GLU 217 Cb 0.00 -2.63 -0.06 0.00 0.26 0.00 0.00 34.13 31.70 3kvc s GLU 217 CO 0.00 -0.59 2.07 0.34 -0.54 0.00 0.00 175.26 176.54 3kvc s ASP 218 N -0.88 5.92 0.58 -1.70 -1.08 -1.26 -4.71 116.67 113.53 3kvc s ASP 218 Ca 0.60 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 55.08 3kvc s ASP 218 Cb -0.36 -2.52 1.57 0.00 -1.46 0.00 0.00 42.92 40.15 3kvc s ASP 218 CO 0.46 -1.55 2.04 -0.65 0.52 0.00 0.00 175.17 175.99 3kvc h PRO 219 N 12.95 0.00 -0.60 4.34 0.11 -1.90 0.36 132.00 147.26 3kvc h PRO 219 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3kvc h PRO 219 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3kvc h PRO 219 CO 0.96 0.00 0.19 0.82 -0.21 0.00 0.00 178.00 179.76 3kvc h ILE 220 N 0.00 1.23 -0.01 4.15 2.04 -1.90 -1.24 117.51 121.77 3kvc h ILE 220 Ca 0.13 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3kvc h ILE 220 Cb 0.71 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3kvc h ILE 220 CO -0.00 0.30 0.13 0.77 0.00 0.00 0.00 178.15 179.35 3kvc h SER 221 N 0.87 0.00 -0.67 1.72 4.64 -1.29 -0.58 113.55 118.24 3kvc h SER 221 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kvc h SER 221 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3kvc h SER 221 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 3kvc n LYS 222 N -3.09 3.25 -1.73 4.77 4.76 -0.47 -5.01 118.16 120.64 3kvc n LYS 222 Ca -0.02 -2.75 -0.40 0.00 -2.87 0.00 0.00 58.31 52.26 3kvc n LYS 222 Cb 0.20 -1.72 0.02 0.00 -1.84 0.00 0.00 35.03 31.69 3kvc n LYS 222 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3kvc n SER 223 N 1.30 2.82 -3.81 4.39 7.64 -0.23 -4.64 113.62 121.08 3kvc n SER 223 Ca 0.25 1.07 -0.09 0.00 1.01 0.00 0.00 58.87 61.11 3kvc n SER 223 Cb 0.75 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.33 3kvc n SER 223 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3kvc s GLU 224 N -2.48 0.88 -0.20 1.43 -1.05 -0.94 -4.87 118.70 111.48 3kvc s GLU 224 Ca 0.64 -0.91 -0.23 0.00 -0.15 0.00 0.00 54.97 54.32 3kvc s GLU 224 Cb -0.46 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 3kvc s GLU 224 CO 0.55 -0.29 0.76 0.42 0.95 0.00 0.00 175.26 177.65 3kvc s ILE 225 N -3.84 4.92 -0.15 1.83 -1.09 -1.26 -0.54 121.20 121.07 3kvc s ILE 225 Ca 0.04 1.45 -0.27 0.00 -2.23 0.00 0.00 60.65 59.63 3kvc s ILE 225 Cb 0.04 -4.06 -0.25 0.00 -1.58 0.00 0.00 42.46 36.62 3kvc s ILE 225 CO -0.11 0.03 0.66 0.58 -1.23 0.00 0.00 174.94 174.87 3kvc h VAL 226 N 5.26 1.63 -2.75 2.92 2.07 -1.05 -3.48 116.25 120.86 3kvc h VAL 226 Ca -0.28 -2.32 0.07 0.00 0.82 0.00 0.00 66.70 64.99 3kvc h VAL 226 Cb 1.12 3.17 -0.10 0.00 -1.52 0.00 0.00 31.29 33.97 3kvc h VAL 226 CO 0.82 0.55 0.32 0.54 0.02 0.00 0.00 177.57 179.82 3kvc s VAL 227 N -2.25 0.00 -0.04 2.57 0.11 -1.25 -4.78 120.40 114.76 3kvc s VAL 227 Ca -0.21 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 3kvc s VAL 227 Cb -0.01 -1.48 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3kvc s VAL 227 CO 0.67 0.00 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.75 3kvc s GLN 228 N -3.60 1.29 -0.10 1.54 0.74 -1.26 -1.03 119.66 117.24 3kvc s GLN 228 Ca 0.07 -0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.04 3kvc s GLN 228 Cb -0.03 -1.15 -0.04 0.00 1.10 0.00 0.00 33.01 32.90 3kvc s GLN 228 CO -0.03 0.11 0.13 -0.06 -0.55 0.00 0.00 175.29 174.89 3kvc s PHE 229 N 0.30 3.54 0.70 1.67 0.08 0.87 -4.69 117.98 120.45 3kvc s PHE 229 Ca -0.06 0.46 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 3kvc s PHE 229 Cb -0.11 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3kvc s PHE 229 CO 0.01 0.69 1.07 -1.25 -0.10 0.00 0.00 175.22 175.65 3kvc s PRO 230 N -1.18 2.75 0.00 0.24 0.04 -1.26 -1.33 135.00 134.27 3kvc s PRO 230 Ca 0.17 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 3kvc s PRO 230 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3kvc s PRO 230 CO 0.06 -1.26 0.08 0.00 0.04 0.00 0.00 177.00 175.93 3kvc h SER 232 N 4.03 0.00 -3.37 0.00 4.64 -1.94 -3.41 113.55 113.50 3kvc h SER 232 Ca -0.49 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.33 3kvc h SER 232 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.93 3kvc h SER 232 CO 0.63 0.27 -0.80 -0.62 -0.87 0.00 0.00 176.83 175.43 3kvc s ASP 233 N -6.36 1.73 0.29 4.97 -1.08 -1.26 -5.05 116.67 109.91 3kvc s ASP 233 Ca -0.01 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 51.78 3kvc s ASP 233 Cb 0.12 -0.76 0.62 0.00 -1.46 0.00 0.00 42.92 41.43 3kvc s ASP 233 CO 0.65 -0.02 1.80 -0.09 0.52 0.00 0.00 175.17 178.03 3kvc h ARG 234 N 7.29 0.82 -0.15 4.34 2.43 -1.93 -2.77 114.38 124.41 3kvc h ARG 234 Ca -0.32 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3kvc h ARG 234 Cb 1.17 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3kvc h ARG 234 CO 0.46 0.54 0.00 1.19 -1.51 0.00 0.00 179.97 180.65 3kvc n PHE 235 N -4.72 0.19 -3.72 2.20 3.72 -1.26 -1.45 117.46 112.42 3kvc n PHE 235 Ca 0.20 -0.22 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 3kvc n PHE 235 Cb 0.45 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.84 3kvc n PHE 235 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kvc s LYS 236 N -0.94 0.80 0.52 -1.08 1.02 -1.05 -4.90 119.74 114.11 3kvc s LYS 236 Ca 0.17 -1.23 -0.20 0.00 0.02 0.00 0.00 55.97 54.72 3kvc s LYS 236 Cb 0.10 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 3kvc s LYS 236 CO 0.14 -1.02 1.14 -1.25 -0.92 0.00 0.00 175.35 173.44 3kvc s PRO 237 N 1.40 3.47 0.64 -1.68 0.04 -1.26 -4.31 135.00 133.31 3kvc s PRO 237 Ca 0.11 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 3kvc s PRO 237 Cb -0.19 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3kvc s PRO 237 CO -0.20 -0.76 1.07 -1.12 0.04 0.00 0.00 177.00 176.02 3kvc s SER 238 N -1.66 5.50 0.11 6.66 0.01 -1.26 -1.55 113.70 121.51 3kvc s SER 238 Ca 0.70 1.78 -0.31 0.00 1.31 0.00 0.00 55.95 59.43 3kvc s SER 238 Cb -0.25 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 3kvc s SER 238 CO 0.29 -1.36 1.45 -0.47 0.41 0.00 0.00 173.24 173.57 3kvc s TYR 239 N -2.65 3.09 -0.11 2.43 5.04 0.24 -4.82 117.35 120.57 3kvc s TYR 239 Ca 0.62 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 56.07 3kvc s TYR 239 Cb -0.16 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.41 3kvc s TYR 239 CO 0.44 -2.76 -0.15 0.08 -1.34 0.00 0.00 175.55 171.83 3kvc s VAL 240 N 1.39 1.47 -0.13 3.14 1.01 -1.26 -4.70 120.40 121.32 3kvc s VAL 240 Ca 0.67 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 62.12 3kvc s VAL 240 Cb -0.38 -1.35 -0.15 0.00 0.00 0.00 0.00 36.38 34.50 3kvc s VAL 240 CO 0.30 0.44 0.01 1.57 0.00 0.00 0.00 175.10 177.42 3kvc n HIS 241 N 4.28 0.00 -3.85 5.22 -0.00 -1.26 -4.78 115.22 114.82 3kvc n HIS 241 Ca -0.19 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.90 3kvc n HIS 241 Cb 0.51 -0.64 0.01 0.00 -0.12 0.00 0.00 29.99 29.75 3kvc n HIS 241 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3kvc s SER 242 N -4.77 0.07 0.26 0.26 1.04 -1.22 -4.24 113.70 105.10 3kvc s SER 242 Ca -0.09 -1.11 -0.19 0.00 0.48 0.00 0.00 55.95 55.04 3kvc s SER 242 Cb 0.04 0.81 0.02 0.00 0.10 0.00 0.00 66.02 66.99 3kvc s SER 242 CO 0.50 -1.59 0.65 0.72 0.98 0.00 0.00 173.24 174.50 3kvc s PHE 243 N -2.65 -0.08 0.01 5.02 -0.71 -1.26 -4.78 117.98 113.54 3kvc s PHE 243 Ca 0.17 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 3kvc s PHE 243 Cb -0.05 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 3kvc s PHE 243 CO 0.12 -1.15 0.06 0.20 -1.34 0.00 0.00 175.22 173.11 3kvc s GLY 244 N -2.93 1.98 -0.07 1.99 0.00 0.44 -4.84 107.32 103.89 3kvc s GLY 244 Ca 0.13 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 3kvc s GLY 244 CO 0.06 -0.82 0.16 -2.27 0.00 0.00 0.00 173.10 170.23 3kvc s LEU 245 N -1.83 1.05 0.47 0.66 2.96 -1.26 -0.81 118.68 119.92 3kvc s LEU 245 Ca 0.23 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 3kvc s LEU 245 Cb -0.12 0.49 -0.01 0.00 0.50 0.00 0.00 46.19 47.05 3kvc s LEU 245 CO 0.15 -0.10 0.07 0.42 -1.32 0.00 0.00 176.35 175.57 3kvc s THR 246 N 0.61 0.81 0.33 3.68 -4.23 0.14 -4.06 115.64 112.93 3kvc s THR 246 Ca -0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3kvc s THR 246 Cb -0.06 -2.19 0.27 0.00 1.34 0.00 0.00 72.50 71.86 3kvc s THR 246 CO -0.03 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.38 3kvc h PRO 247 N 1.52 0.90 0.00 3.99 0.11 -1.93 -3.28 132.00 133.31 3kvc h PRO 247 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kvc h PRO 247 Cb 1.30 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kvc h PRO 247 CO 0.64 0.59 -0.94 0.09 -0.21 0.00 0.00 178.00 178.17 3kvc n ASN 248 N -4.45 1.12 -4.06 -2.05 3.02 -1.26 -4.76 115.26 102.82 3kvc n ASN 248 Ca 0.09 -0.51 -0.08 0.00 -0.03 0.00 0.00 54.58 54.05 3kvc n ASN 248 Cb 0.10 1.21 -0.10 0.00 -0.61 0.00 0.00 39.78 40.38 3kvc n ASN 248 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kvc s TYR 249 N -2.43 0.47 -0.07 3.10 2.02 -1.24 -1.29 117.35 117.91 3kvc s TYR 249 Ca 0.01 -0.89 0.04 0.00 -0.37 0.00 0.00 57.07 55.87 3kvc s TYR 249 Cb 0.09 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3kvc s TYR 249 CO 0.52 -0.30 -0.21 0.42 -1.57 0.00 0.00 175.55 174.41 3kvc s ILE 250 N -3.11 2.45 -0.11 2.71 1.01 -0.06 -0.68 121.20 123.42 3kvc s ILE 250 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3kvc s ILE 250 Cb 0.02 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3kvc s ILE 250 CO -0.07 0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 174.56 3kvc s VAL 251 N -0.15 1.69 -0.06 2.92 1.01 0.01 -1.23 120.40 124.60 3kvc s VAL 251 Ca -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3kvc s VAL 251 Cb -0.14 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3kvc s VAL 251 CO 0.04 0.48 -0.19 0.12 0.00 0.00 0.00 175.10 175.55 3kvc s PHE 252 N 0.76 1.93 -0.26 5.22 5.36 -0.33 -0.42 117.98 130.23 3kvc s PHE 252 Ca -0.11 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 55.24 3kvc s PHE 252 Cb -0.16 -1.30 0.04 0.00 -0.34 0.00 0.00 43.02 41.26 3kvc s PHE 252 CO 0.02 -0.22 -0.05 0.08 -1.46 0.00 0.00 175.22 173.58 3kvc s VAL 253 N 0.12 2.79 -0.41 3.12 1.01 -1.26 -0.80 120.40 124.97 3kvc s VAL 253 Ca -0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.52 3kvc s VAL 253 Cb -0.13 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3kvc s VAL 253 CO 0.04 0.08 0.41 -0.70 0.00 0.00 0.00 175.10 174.92 3kvc s GLU 254 N 1.27 3.14 0.40 2.72 2.12 0.26 -4.97 118.70 123.63 3kvc s GLU 254 Ca -0.03 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.61 3kvc s GLU 254 Cb -0.18 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.26 3kvc s GLU 254 CO -0.04 -0.80 0.56 0.95 -0.54 0.00 0.00 175.26 175.40 3kvc s THR 255 N 2.06 3.60 -1.78 -1.70 -4.23 -1.26 -1.10 115.64 111.22 3kvc s THR 255 Ca 0.11 -0.90 0.15 0.00 -1.18 0.00 0.00 61.69 59.87 3kvc s THR 255 Cb -0.17 -3.25 0.36 0.00 1.34 0.00 0.00 72.50 70.77 3kvc s THR 255 CO 0.13 -0.12 1.34 -0.81 -0.54 0.00 0.00 174.62 174.62 3kvc n PRO 256 N -1.83 0.37 -2.71 3.99 -0.04 -1.23 -4.66 135.00 128.89 3kvc n PRO 256 Ca 0.03 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 3kvc n PRO 256 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3kvc n PRO 256 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvc s VAL 257 N -2.22 4.43 0.11 0.52 1.01 -1.26 -0.23 120.40 122.76 3kvc s VAL 257 Ca 0.19 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.50 3kvc s VAL 257 Cb 0.10 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3kvc s VAL 257 CO 0.19 -0.72 -0.17 -0.54 0.00 0.00 0.00 175.10 173.86 3kvc s LYS 258 N 3.86 1.84 -0.34 2.72 -0.14 0.15 -0.60 119.74 127.23 3kvc s LYS 258 Ca 0.42 -1.15 -0.12 0.00 -1.36 0.00 0.00 55.97 53.76 3kvc s LYS 258 Cb -0.10 -2.14 -0.01 0.00 -1.68 0.00 0.00 37.83 33.90 3kvc s LYS 258 CO 0.23 0.48 0.22 0.42 -0.76 0.00 0.00 175.35 175.95 3kvc s ILE 259 N -1.15 5.09 0.00 2.17 1.01 -0.59 -0.48 121.20 127.24 3kvc s ILE 259 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3kvc s ILE 259 Cb -0.11 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3kvc s ILE 259 CO 0.11 -0.03 0.00 -3.20 0.00 0.00 0.00 174.94 171.82 3kvc n ASN 260 N 5.08 0.00 0.00 3.58 2.85 0.16 -4.13 115.26 122.80 3kvc n ASN 260 Ca -0.13 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 3kvc n ASN 260 Cb 0.49 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.07 3kvc n ASN 260 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kvc n ALA 273 N -1.88 0.00 -4.32 5.20 0.00 -1.26 -4.93 120.51 113.32 3kvc n ALA 273 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3kvc n ALA 273 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3kvc n ALA 273 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kvc n ASN 274 N 0.00 2.01 -0.12 0.00 0.23 -1.26 -4.69 115.26 111.43 3kvc n ASN 274 Ca 0.00 -2.46 -0.11 0.00 -0.53 0.00 0.00 54.58 51.48 3kvc n ASN 274 Cb 0.00 0.47 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 3kvc n ASN 274 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 3kvc h TYR 275 N 1.31 0.73 -0.87 -2.53 -1.99 -1.47 -3.14 116.97 109.02 3kvc h TYR 275 Ca -0.25 -0.15 0.08 0.00 2.00 0.00 0.00 58.73 60.42 3kvc h TYR 275 Cb 0.83 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 39.32 3kvc h TYR 275 CO 0.00 0.80 0.56 1.98 -0.00 0.00 0.00 178.16 181.50 3kvc h MET 276 N 0.45 0.89 0.00 4.88 4.05 -1.67 -0.61 114.93 122.92 3kvc h MET 276 Ca 0.09 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3kvc h MET 276 Cb 0.55 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3kvc h MET 276 CO 0.03 0.59 0.23 -0.44 0.23 0.00 0.00 176.91 177.54 3kvc h ASP 277 N 0.92 0.00 0.50 1.39 3.32 -1.83 -2.64 116.42 118.07 3kvc h ASP 277 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3kvc h ASP 277 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kvc h ASP 277 CO -0.15 0.00 -0.61 0.00 -1.72 0.00 0.00 179.24 176.76 3kvc s PHE 279 N -3.04 3.65 0.10 0.00 0.40 -1.00 0.40 117.98 118.49 3kvc s PHE 279 Ca 0.09 1.77 -0.10 0.00 -0.60 0.00 0.00 56.93 58.10 3kvc s PHE 279 Cb 0.17 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.69 3kvc s PHE 279 CO 0.73 0.00 0.23 -1.83 0.70 0.00 0.00 175.22 175.05 3kvc s GLU 280 N -1.93 0.91 -0.17 0.44 -1.05 0.36 -4.90 118.70 112.37 3kvc s GLU 280 Ca 0.49 -0.94 -0.06 0.00 -0.15 0.00 0.00 54.97 54.31 3kvc s GLU 280 Cb -0.22 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 3kvc s GLU 280 CO 0.28 -0.31 0.05 -1.12 0.95 0.00 0.00 175.26 175.11 3kvc s SER 281 N -2.86 5.54 -0.35 0.83 0.01 -1.26 0.33 113.70 115.93 3kvc s SER 281 Ca 0.06 0.08 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 3kvc s SER 281 Cb 0.04 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.37 3kvc s SER 281 CO -0.10 0.20 0.65 0.21 0.41 0.00 0.00 173.24 174.61 3kvc s ASN 282 N 0.18 6.44 0.38 2.44 3.84 0.67 -4.96 114.94 123.94 3kvc s ASN 282 Ca 0.04 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.49 3kvc s ASN 282 Cb -0.12 -2.33 0.67 0.00 -0.55 0.00 0.00 41.25 38.91 3kvc s ASN 282 CO 0.01 -0.59 1.72 -0.33 -2.79 0.00 0.00 177.10 175.12 3kvc h GLU 283 N 8.44 0.00 0.00 0.43 5.08 -1.97 -3.36 114.58 123.19 3kvc h GLU 283 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3kvc h GLU 283 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kvc h GLU 283 CO 0.84 0.34 -0.62 0.25 -1.00 0.00 0.00 179.01 178.82 3kvc n THR 284 N -3.44 0.00 0.16 1.13 -2.24 -1.26 -4.61 114.28 104.02 3kvc n THR 284 Ca 0.00 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3kvc n THR 284 Cb 0.51 0.88 0.21 0.00 -2.10 0.00 0.00 70.33 69.83 3kvc n THR 284 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvc h MET 285 N 0.00 0.00 0.00 -0.78 -0.00 -1.99 -3.49 114.93 108.67 3kvc h MET 285 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3kvc h MET 285 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 3kvc h MET 285 CO 0.00 0.45 0.00 0.41 -0.00 0.00 0.00 176.91 177.77 3kvc n GLY 286 N 0.62 2.71 3.32 -3.00 0.00 -1.26 -4.64 105.19 102.93 3kvc n GLY 286 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3kvc n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvc s VAL 287 N 0.00 2.86 -0.19 1.61 1.01 -0.53 -3.49 120.40 121.66 3kvc s VAL 287 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3kvc s VAL 287 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3kvc s VAL 287 CO 0.00 0.52 0.08 0.26 0.00 0.00 0.00 175.10 175.96 3kvc s TRP 288 N 0.57 3.28 -0.01 5.22 0.52 -0.26 -1.54 118.94 126.72 3kvc s TRP 288 Ca -0.09 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.15 3kvc s TRP 288 Cb -0.16 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 3kvc s TRP 288 CO 0.04 0.15 0.02 -0.51 0.02 0.00 0.00 176.95 176.67 3kvc s LEU 289 N 0.47 3.63 -0.01 2.99 1.02 -0.59 -0.58 118.68 125.62 3kvc s LEU 289 Ca 0.04 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.26 3kvc s LEU 289 Cb -0.12 -2.08 -0.00 0.00 0.02 0.00 0.00 46.19 44.01 3kvc s LEU 289 CO 0.00 0.29 -0.07 -1.00 0.02 0.00 0.00 176.35 175.59 3kvc s HIS 290 N -1.10 0.67 0.07 0.29 3.76 0.02 -3.60 115.29 115.38 3kvc s HIS 290 Ca 0.20 -0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.06 3kvc s HIS 290 Cb -0.12 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 3kvc s HIS 290 CO 0.11 -0.04 -0.22 0.42 -0.85 0.00 0.00 174.74 174.16 3kvc s ILE 291 N -0.01 1.81 0.01 0.60 1.01 -1.26 -1.19 121.20 122.17 3kvc s ILE 291 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.32 3kvc s ILE 291 Cb -0.05 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3kvc s ILE 291 CO -0.00 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 174.98 3kvc s ALA 292 N -0.92 0.92 -0.24 9.38 0.00 -0.37 -1.21 121.76 129.32 3kvc s ALA 292 Ca 0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3kvc s ALA 292 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3kvc s ALA 292 CO 0.03 0.20 1.45 0.34 0.00 0.00 0.00 175.76 177.78 3kvc s ASP 293 N -0.55 6.56 0.06 0.00 -1.08 0.58 -0.88 116.67 121.37 3kvc s ASP 293 Ca 0.02 1.48 -0.19 0.00 -0.52 0.00 0.00 52.55 53.34 3kvc s ASP 293 Cb -0.05 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.75 3kvc s ASP 293 CO 0.00 -1.13 1.40 0.50 0.52 0.00 0.00 175.17 176.47 3kvc h LYS 294 N 9.86 0.42 -0.10 4.34 3.64 -1.49 -0.45 116.57 132.79 3kvc h LYS 294 Ca -0.30 -0.20 -0.24 0.00 -1.27 0.00 0.00 60.65 58.64 3kvc h LYS 294 Cb 1.13 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3kvc h LYS 294 CO 1.01 0.73 -0.88 0.87 -2.27 0.00 0.00 179.45 178.91 3kvc h LYS 295 N 0.11 0.76 -0.01 1.90 1.57 -1.86 -3.15 116.57 115.88 3kvc h LYS 295 Ca 0.04 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3kvc h LYS 295 Cb 0.62 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kvc h LYS 295 CO 0.03 1.28 -0.10 0.54 -0.57 0.00 0.00 179.45 180.64 3kvc n ARG 296 N -3.90 1.19 -3.73 3.15 1.74 -1.25 -4.96 116.66 108.90 3kvc n ARG 296 Ca -0.09 -0.61 -0.23 0.00 -0.77 0.00 0.00 57.85 56.16 3kvc n ARG 296 Cb 0.80 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.78 3kvc n ARG 296 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kvc n LYS 297 N -0.38 -4.17 -4.11 5.56 5.02 -0.23 -4.97 118.16 114.88 3kvc n LYS 297 Ca 0.17 0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 56.81 3kvc n LYS 297 Cb 0.32 -4.98 -0.17 0.00 -0.02 0.00 0.00 35.03 30.18 3kvc n LYS 297 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kvc s LYS 298 N -6.02 0.95 0.29 1.97 2.20 -0.89 -4.76 119.74 113.48 3kvc s LYS 298 Ca 0.06 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 3kvc s LYS 298 Cb -0.02 -1.00 -0.12 0.00 -1.51 0.00 0.00 37.83 35.19 3kvc s LYS 298 CO 0.83 -0.13 1.57 0.98 -0.36 0.00 0.00 175.35 178.24 3kvc n TYR 299 N 4.32 2.78 -3.61 4.03 9.36 -1.26 -0.30 117.16 132.49 3kvc n TYR 299 Ca -0.20 0.28 -0.37 0.00 3.32 0.00 0.00 57.90 60.93 3kvc n TYR 299 Cb 0.51 -2.58 -0.10 0.00 -0.63 0.00 0.00 39.34 36.54 3kvc n TYR 299 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kvc s ILE 300 N -0.05 5.32 -1.40 2.97 1.01 -0.35 -4.85 121.20 123.86 3kvc s ILE 300 Ca 0.64 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.46 3kvc s ILE 300 Cb -0.51 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 38.50 3kvc s ILE 300 CO 0.49 0.30 2.44 -3.20 0.00 0.00 0.00 174.94 174.98 3kvc n ASN 301 N 4.55 7.60 -4.48 3.58 5.15 -1.26 -4.50 115.26 125.90 3kvc n ASN 301 Ca -0.14 -2.99 -0.36 0.00 -0.60 0.00 0.00 54.58 50.49 3kvc n ASN 301 Cb 0.52 -1.44 -0.12 0.00 -0.53 0.00 0.00 39.78 38.21 3kvc n ASN 301 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3kvc s ASN 302 N 0.99 5.27 -1.23 1.20 0.01 -1.26 -5.04 114.94 114.88 3kvc s ASN 302 Ca 0.55 -0.16 -0.14 0.00 -0.71 0.00 0.00 52.86 52.41 3kvc s ASN 302 Cb 0.17 -1.95 0.16 0.00 0.41 0.00 0.00 41.25 40.05 3kvc s ASN 302 CO -0.07 -0.01 1.51 0.29 -1.51 0.00 0.00 177.10 177.30 3kvc n LYS 303 N 4.78 3.38 -2.69 -0.60 5.02 -1.26 -4.79 118.16 121.99 3kvc n LYS 303 Ca -0.16 -3.77 -0.41 0.00 -2.02 0.00 0.00 58.31 51.95 3kvc n LYS 303 Cb 0.52 -3.07 -0.04 0.00 -0.02 0.00 0.00 35.03 32.42 3kvc n LYS 303 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3kvc s TYR 304 N 1.66 3.73 0.03 2.13 2.02 -1.24 -0.30 117.35 125.39 3kvc s TYR 304 Ca 0.43 1.73 0.01 0.00 -0.37 0.00 0.00 57.07 58.88 3kvc s TYR 304 Cb -0.01 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.42 3kvc s TYR 304 CO 0.01 0.01 -0.05 1.03 -1.57 0.00 0.00 175.55 174.98 3kvc s ARG 305 N 0.32 0.40 0.24 -0.62 1.81 -0.32 -1.55 118.95 119.23 3kvc s ARG 305 Ca 0.49 -0.66 -0.07 0.00 -1.72 0.00 0.00 55.73 53.76 3kvc s ARG 305 Cb -0.23 -0.06 0.03 0.00 -0.45 0.00 0.00 34.95 34.24 3kvc s ARG 305 CO 0.30 -0.01 0.45 -2.37 -0.68 0.00 0.00 175.30 172.99 3kvc n THR 306 N 1.56 0.00 -1.57 0.02 5.66 -0.59 -0.63 114.28 118.74 3kvc n THR 306 Ca -0.23 -0.72 -0.30 0.00 -3.05 0.00 0.00 64.05 59.74 3kvc n THR 306 Cb 0.55 0.63 0.09 0.00 -1.55 0.00 0.00 70.33 70.05 3kvc n THR 306 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kvc s SER 307 N -2.30 4.55 0.17 1.09 1.04 -1.26 -1.45 113.70 115.54 3kvc s SER 307 Ca 0.12 1.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.55 3kvc s SER 307 Cb -0.03 -2.04 -0.08 0.00 0.10 0.00 0.00 66.02 63.98 3kvc s SER 307 CO 0.09 -1.94 1.20 -2.16 0.98 0.00 0.00 173.24 171.41 3kvc s PRO 308 N -5.16 4.48 0.10 4.02 0.04 -1.26 -3.60 135.00 133.61 3kvc s PRO 308 Ca 0.61 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 63.35 3kvc s PRO 308 Cb -0.14 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.19 3kvc s PRO 308 CO 0.54 -0.11 0.42 -0.59 0.04 0.00 0.00 177.00 177.29 3kvc s PHE 309 N 0.07 -0.24 0.23 0.56 -0.12 -1.20 -2.36 117.98 114.91 3kvc s PHE 309 Ca 0.54 0.04 -0.21 0.00 -0.05 0.00 0.00 56.93 57.24 3kvc s PHE 309 Cb -0.32 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.24 3kvc s PHE 309 CO 0.36 -0.66 0.76 -0.80 -0.05 0.00 0.00 175.22 174.83 3kvc s ASN 310 N -2.51 7.13 -0.06 1.98 0.02 0.26 -4.41 114.94 117.34 3kvc s ASN 310 Ca -0.00 1.50 0.00 0.00 -1.02 0.00 0.00 52.86 53.35 3kvc s ASN 310 Cb 0.01 -2.45 0.02 0.00 0.02 0.00 0.00 41.25 38.85 3kvc s ASN 310 CO -0.09 0.03 -0.05 -0.22 0.02 0.00 0.00 177.10 176.80 3kvc s LEU 311 N -1.91 1.19 -0.17 0.60 2.96 -1.26 -0.90 118.68 119.18 3kvc s LEU 311 Ca 0.43 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.07 3kvc s LEU 311 Cb -0.18 -0.53 -0.07 0.00 0.50 0.00 0.00 46.19 45.91 3kvc s LEU 311 CO 0.22 -0.08 -0.27 0.49 -1.32 0.00 0.00 176.35 175.39 3kvc n PHE 312 N 4.37 0.00 -4.09 5.38 3.72 -1.26 -4.59 117.46 120.99 3kvc n PHE 312 Ca -0.19 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.88 3kvc n PHE 312 Cb 0.51 -0.60 -0.15 0.00 -0.94 0.00 0.00 39.48 38.29 3kvc n PHE 312 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3kvc s HIS 313 N -2.50 3.09 0.46 1.38 3.76 -1.26 -3.44 115.29 116.79 3kvc s HIS 313 Ca -0.26 -2.08 -0.25 0.00 -0.15 0.00 0.00 55.06 52.32 3kvc s HIS 313 Cb 0.08 -1.93 -0.08 0.00 1.11 0.00 0.00 32.58 31.76 3kvc s HIS 313 CO 0.35 -0.85 1.38 -1.01 -0.85 0.00 0.00 174.74 173.76 3kvc s HIS 314 N 1.17 2.50 -0.17 1.40 3.76 -1.26 -1.52 115.29 121.18 3kvc s HIS 314 Ca -0.04 1.32 -0.13 0.00 -0.15 0.00 0.00 55.06 56.06 3kvc s HIS 314 Cb -0.17 -3.84 -0.08 0.00 1.11 0.00 0.00 32.58 29.60 3kvc s HIS 314 CO -0.08 -2.74 -0.10 -0.89 -0.85 0.00 0.00 174.74 170.08 3kvc n ILE 315 N -0.30 1.46 -3.57 0.60 5.41 0.37 -4.87 119.36 118.46 3kvc n ILE 315 Ca 0.06 0.13 -0.07 0.00 1.00 0.00 0.00 62.75 63.87 3kvc n ILE 315 Cb 0.43 -2.29 -0.02 0.00 -0.71 0.00 0.00 39.64 37.05 3kvc n ILE 315 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3kvc s ASN 316 N -6.09 -0.32 -0.05 4.38 2.47 -1.21 -4.81 114.94 109.31 3kvc s ASN 316 Ca -0.20 -0.11 -0.05 0.00 0.42 0.00 0.00 52.86 52.92 3kvc s ASN 316 Cb 0.04 0.42 0.01 0.00 -1.45 0.00 0.00 41.25 40.27 3kvc s ASN 316 CO 0.34 -0.71 0.15 -0.89 -3.72 0.00 0.00 177.10 172.27 3kvc s THR 317 N -3.19 0.01 0.31 -5.21 2.01 -1.26 -1.39 115.64 106.91 3kvc s THR 317 Ca 0.07 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 3kvc s THR 317 Cb -0.01 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.28 3kvc s THR 317 CO -0.06 -0.04 0.65 -0.72 -0.69 0.00 0.00 174.62 173.77 3kvc s TYR 318 N -0.06 0.15 -0.14 4.92 -0.85 -0.63 -3.34 117.35 117.40 3kvc s TYR 318 Ca -0.01 -0.62 -0.06 0.00 -0.52 0.00 0.00 57.07 55.85 3kvc s TYR 318 Cb -0.02 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3kvc s TYR 318 CO 0.00 -1.26 0.07 -1.21 -1.52 0.00 0.00 175.55 171.64 3kvc s GLU 319 N -3.44 3.62 -0.21 -3.49 2.02 -1.26 -0.37 118.70 115.56 3kvc s GLU 319 Ca 0.17 -0.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 3kvc s GLU 319 Cb -0.04 -3.11 0.08 0.00 0.10 0.00 0.00 34.13 31.16 3kvc s GLU 319 CO 0.10 0.50 0.14 0.34 0.02 0.00 0.00 175.26 176.36 3kvc s ASP 320 N -0.28 2.34 0.86 -0.19 -1.08 -0.07 -4.75 116.67 113.50 3kvc s ASP 320 Ca 0.09 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.43 3kvc s ASP 320 Cb -0.12 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.27 3kvc s ASP 320 CO 0.01 -0.37 0.00 1.41 0.52 0.00 0.00 175.17 176.75 3kvc n HIS 321 N 5.28 0.00 -0.36 -5.34 8.25 -1.26 -1.00 115.22 120.80 3kvc n HIS 321 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 3kvc n HIS 321 Cb 0.47 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.68 3kvc n HIS 321 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kvc n GLU 322 N 14.00 1.74 -4.19 -0.41 -0.58 -1.26 -4.89 120.64 125.04 3kvc n GLU 322 Ca 0.00 -1.71 -0.18 0.00 -0.42 0.00 0.00 57.16 54.85 3kvc n GLU 322 Cb 0.00 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.08 3kvc n GLU 322 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kvc s PHE 323 N -1.89 1.14 -0.25 -0.32 0.40 -0.17 -0.84 117.98 116.05 3kvc s PHE 323 Ca 0.33 -0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 3kvc s PHE 323 Cb 0.27 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 3kvc s PHE 323 CO 0.05 0.03 0.14 -0.51 0.70 0.00 0.00 175.22 175.64 3kvc s LEU 324 N -1.56 3.92 -0.29 -0.37 1.43 -0.42 -0.89 118.68 120.49 3kvc s LEU 324 Ca -0.02 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 3kvc s LEU 324 Cb -0.09 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3kvc s LEU 324 CO 0.02 0.02 0.58 -0.63 0.23 0.00 0.00 176.35 176.57 3kvc s ILE 325 N 1.34 4.99 -0.31 -0.59 -1.09 0.50 -0.69 121.20 125.35 3kvc s ILE 325 Ca 0.07 0.83 0.03 0.00 -2.23 0.00 0.00 60.65 59.35 3kvc s ILE 325 Cb -0.15 -3.94 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 3kvc s ILE 325 CO 0.06 -0.06 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.01 3kvc s VAL 326 N 2.48 2.29 -0.22 2.92 1.01 0.44 -1.60 120.40 127.72 3kvc s VAL 326 Ca 0.23 -2.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.07 3kvc s VAL 326 Cb -0.15 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3kvc s VAL 326 CO 0.11 -0.37 0.14 -1.81 0.00 0.00 0.00 175.10 173.17 3kvc s ASP 327 N 1.01 6.13 0.04 3.32 1.01 -0.49 -1.61 116.67 126.08 3kvc s ASP 327 Ca 0.03 0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.49 3kvc s ASP 327 Cb -0.20 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3kvc s ASP 327 CO -0.07 0.12 -0.11 -0.76 0.21 0.00 0.00 175.17 174.57 3kvc s LEU 328 N 0.70 2.19 -0.57 1.23 1.43 0.12 -0.48 118.68 123.30 3kvc s LEU 328 Ca 0.08 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 3kvc s LEU 328 Cb -0.12 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.76 3kvc s LEU 328 CO 0.01 -0.05 0.80 0.00 0.23 0.00 0.00 176.35 177.34 3kvc s TRP 331 N -1.97 1.94 -0.34 0.00 0.52 -0.08 -0.72 118.94 118.29 3kvc s TRP 331 Ca 0.34 -1.19 -0.29 0.00 0.02 0.00 0.00 56.10 54.98 3kvc s TRP 331 Cb -0.09 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3kvc s TRP 331 CO 0.29 -0.64 1.39 0.15 0.02 0.00 0.00 176.95 178.16 3kvc s LYS 332 N 1.56 3.74 0.00 4.98 1.02 0.84 -0.58 119.74 131.30 3kvc s LYS 332 Ca 0.02 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.15 3kvc s LYS 332 Cb -0.15 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 3kvc s LYS 332 CO -0.08 -1.35 0.00 0.41 -0.92 0.00 0.00 175.35 173.41 3kvc n GLY 333 N 4.71 0.94 0.00 -3.33 0.00 -0.99 -3.16 105.19 103.34 3kvc n GLY 333 Ca 0.16 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 44.11 3kvc n GLY 333 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3kvc n PHE 334 N -1.05 0.00 -1.93 1.61 1.16 -1.26 -2.94 117.46 113.04 3kvc n PHE 334 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 3kvc n PHE 334 Cb 0.00 -0.01 -0.00 0.00 -1.61 0.00 0.00 39.48 37.86 3kvc n PHE 334 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3kvc s GLU 335 N -2.11 4.06 -0.20 3.97 2.12 -1.26 -4.65 118.70 120.63 3kvc s GLU 335 Ca 0.04 2.37 -0.29 0.00 0.36 0.00 0.00 54.97 57.45 3kvc s GLU 335 Cb 0.09 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 3kvc s GLU 335 CO 0.47 -0.49 1.25 0.12 -0.54 0.00 0.00 175.26 176.07 3kvc s PHE 336 N -1.17 2.87 0.54 5.30 5.36 -1.26 -4.82 117.98 124.79 3kvc s PHE 336 Ca 0.54 1.03 0.21 0.00 -0.96 0.00 0.00 56.93 57.75 3kvc s PHE 336 Cb -0.43 -3.56 1.40 0.00 -0.34 0.00 0.00 43.02 40.09 3kvc s PHE 336 CO 0.56 -1.57 2.13 0.28 -1.46 0.00 0.00 175.22 175.16 3kvc h VAL 337 N 5.58 0.84 0.00 3.12 2.07 -1.97 -1.78 116.25 124.11 3kvc h VAL 337 Ca -0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3kvc h VAL 337 Cb 1.10 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3kvc h VAL 337 CO 0.98 0.00 -0.01 1.88 0.02 0.00 0.00 177.57 180.45 3kvc h TYR 338 N 0.00 0.00 -0.03 1.57 -1.99 -2.00 -1.78 116.97 112.74 3kvc h TYR 338 Ca 0.06 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.80 3kvc h TYR 338 Cb 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 3kvc h TYR 338 CO 0.00 0.01 0.17 -0.91 -0.00 0.00 0.00 178.16 177.42 3kvc h ASN 339 N 0.00 0.00 -0.45 3.88 2.35 -1.72 -2.01 115.58 117.63 3kvc h ASN 339 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kvc h ASN 339 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kvc h ASN 339 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 3kvc n TYR 340 N -3.12 0.59 -1.41 1.19 4.02 -0.67 -4.46 117.16 113.30 3kvc n TYR 340 Ca -0.02 -0.29 0.06 0.00 -0.01 0.00 0.00 57.90 57.64 3kvc n TYR 340 Cb 0.24 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.75 3kvc n TYR 340 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3kvc n LEU 341 N 1.32 2.79 -4.77 7.72 4.77 -0.75 -4.72 117.00 123.36 3kvc n LEU 341 Ca 0.20 -3.63 -0.39 0.00 -0.03 0.00 0.00 56.01 52.16 3kvc n LEU 341 Cb 0.55 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3kvc n LEU 341 CO 0.15 1.17 0.75 -0.31 -1.33 0.00 0.00 177.39 177.82 3kvc s TYR 342 N -3.13 3.53 0.43 -1.77 2.02 -1.26 -1.54 117.35 115.62 3kvc s TYR 342 Ca 0.37 1.71 0.10 0.00 -0.37 0.00 0.00 57.07 58.89 3kvc s TYR 342 Cb 0.35 -3.18 0.92 0.00 -0.40 0.00 0.00 41.96 39.66 3kvc s TYR 342 CO -0.03 -0.42 2.02 -0.07 -1.57 0.00 0.00 175.55 175.48 3kvc h LEU 343 N 3.37 0.24 -1.54 -1.29 3.38 -0.82 -0.98 115.31 117.67 3kvc h LEU 343 Ca -0.47 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3kvc h LEU 343 Cb 1.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3kvc h LEU 343 CO 0.65 0.28 -0.02 0.00 0.09 0.00 0.00 178.44 179.44 3kvc h ALA 344 N 1.76 1.63 0.12 1.53 0.00 -1.92 -0.10 119.26 122.27 3kvc h ALA 344 Ca 0.07 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 3kvc h ALA 344 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kvc h ALA 344 CO 0.00 0.28 -1.61 -0.91 0.00 0.00 0.00 179.25 177.01 3kvc h ASN 345 N 0.27 0.39 1.05 0.00 2.35 -1.57 -3.26 115.58 114.80 3kvc h ASN 345 Ca 0.06 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3kvc h ASN 345 Cb 0.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kvc h ASN 345 CO 0.01 1.49 0.00 -0.07 -1.65 0.00 0.00 177.43 177.21 3kvc h LEU 346 N 0.07 0.00 -1.87 1.61 3.38 -1.09 -2.92 115.31 114.49 3kvc h LEU 346 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kvc h LEU 346 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3kvc h LEU 346 CO 0.15 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.22 3kvc n ARG 347 N -2.57 2.22 -1.17 1.13 1.74 -0.08 -4.73 116.66 113.20 3kvc n ARG 347 Ca 0.02 -1.84 -0.30 0.00 -0.77 0.00 0.00 57.85 54.96 3kvc n ARG 347 Cb 0.31 -1.46 0.13 0.00 -1.02 0.00 0.00 32.46 30.42 3kvc n ARG 347 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kvc s GLU 348 N -1.57 1.52 0.84 5.56 2.02 -1.11 -4.96 118.70 121.00 3kvc s GLU 348 Ca 0.36 0.99 -0.11 0.00 0.02 0.00 0.00 54.97 56.23 3kvc s GLU 348 Cb 0.20 -1.83 0.10 0.00 0.10 0.00 0.00 34.13 32.70 3kvc s GLU 348 CO 0.29 -2.10 1.09 -0.80 0.02 0.00 0.00 175.26 173.76 3kvc s ASN 349 N -3.34 3.91 0.22 -0.19 0.01 -1.26 -4.72 114.94 109.57 3kvc s ASN 349 Ca 0.63 1.71 -0.07 0.00 -0.71 0.00 0.00 52.86 54.42 3kvc s ASN 349 Cb -0.18 -2.38 0.18 0.00 0.41 0.00 0.00 41.25 39.27 3kvc s ASN 349 CO 0.57 -2.39 1.75 -0.25 -1.51 0.00 0.00 177.10 175.26 3kvc h TRP 350 N -1.38 1.14 -0.39 2.20 2.91 -1.84 -1.09 115.95 117.51 3kvc h TRP 350 Ca -0.46 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 59.42 3kvc h TRP 350 Cb 1.26 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 3kvc h TRP 350 CO 0.51 0.92 0.19 0.93 -1.03 0.00 0.00 178.44 179.96 3kvc h GLU 351 N 1.05 0.53 -0.07 2.65 4.39 -1.92 -1.48 114.58 119.72 3kvc h GLU 351 Ca 0.22 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 59.66 3kvc h GLU 351 Cb 0.33 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3kvc h GLU 351 CO -0.00 0.41 -0.77 0.93 -1.16 0.00 0.00 179.01 178.42 3kvc h GLU 352 N 0.54 0.65 -0.60 2.33 3.07 -1.68 -2.08 114.58 116.80 3kvc h GLU 352 Ca 0.14 -0.60 0.08 0.00 -0.50 0.00 0.00 59.36 58.48 3kvc h GLU 352 Cb 0.05 0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 3kvc h GLU 352 CO -0.02 1.21 0.26 0.28 -1.40 0.00 0.00 179.01 179.34 3kvc h VAL 353 N 0.30 0.84 -0.49 3.13 2.07 -0.93 0.13 116.25 121.29 3kvc h VAL 353 Ca -0.08 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3kvc h VAL 353 Cb 1.42 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3kvc h VAL 353 CO 0.15 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.95 3kvc h LYS 354 N 0.47 0.87 -0.84 1.57 1.57 -1.26 -2.92 116.57 116.02 3kvc h LYS 354 Ca 0.29 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kvc h LYS 354 Cb 0.31 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3kvc h LYS 354 CO -0.26 0.90 0.52 -0.22 -0.57 0.00 0.00 179.45 179.82 3kvc h LYS 355 N 0.73 1.13 0.00 3.15 3.64 -0.62 -2.58 116.57 122.02 3kvc h LYS 355 Ca 0.14 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3kvc h LYS 355 Cb 0.50 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kvc h LYS 355 CO 0.02 0.79 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.99 3kvc h ASN 356 N 1.15 0.00 -0.11 4.20 2.35 -0.63 -2.36 115.58 120.19 3kvc h ASN 356 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3kvc h ASN 356 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3kvc h ASN 356 CO -0.06 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 3kvc n ALA 357 N -2.27 2.50 -0.27 -0.83 0.00 -0.98 -4.50 120.51 114.17 3kvc n ALA 357 Ca -0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 3kvc n ALA 357 Cb 0.21 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.75 3kvc n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kvc h ARG 358 N 3.38 0.90 -0.65 0.00 3.08 -1.35 -2.41 114.38 117.33 3kvc h ARG 358 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kvc h ARG 358 Cb 0.73 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kvc h ARG 358 CO 0.00 0.60 0.00 1.63 -1.07 0.00 0.00 179.97 181.13 3kvc n LYS 359 N -4.63 3.55 -1.74 0.04 5.02 -1.26 -4.98 118.16 114.16 3kvc n LYS 359 Ca 0.08 -2.60 -0.32 0.00 -2.02 0.00 0.00 58.31 53.46 3kvc n LYS 359 Cb 0.09 -1.86 0.04 0.00 -0.02 0.00 0.00 35.03 33.27 3kvc n LYS 359 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kvc s ALA 360 N -1.88 2.68 0.52 7.82 0.00 -0.91 -5.00 121.76 124.99 3kvc s ALA 360 Ca 0.46 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 3kvc s ALA 360 Cb 0.30 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 3kvc s ALA 360 CO 0.22 -1.09 1.07 -2.30 0.00 0.00 0.00 175.76 173.66 3kvc n PRO 361 N -2.71 1.29 -3.43 0.00 -0.02 -1.26 -4.97 135.00 123.90 3kvc n PRO 361 Ca 0.08 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 3kvc n PRO 361 Cb 0.53 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3kvc n PRO 361 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kvc s GLN 362 N -2.47 4.21 0.42 -0.52 -1.52 -1.19 -4.70 119.66 113.88 3kvc s GLN 362 Ca 0.69 0.34 -0.23 0.00 -1.95 0.00 0.00 55.36 54.20 3kvc s GLN 362 Cb -0.47 -3.38 -0.09 0.00 -0.22 0.00 0.00 33.01 28.85 3kvc s GLN 362 CO 0.52 0.31 1.06 -1.25 -0.25 0.00 0.00 175.29 175.68 3kvc s PRO 363 N 0.16 4.07 -0.27 2.91 0.04 -1.26 -0.11 135.00 140.53 3kvc s PRO 363 Ca 0.23 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 3kvc s PRO 363 Cb -0.15 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.00 3kvc s PRO 363 CO 0.09 -0.23 0.70 -2.00 0.04 0.00 0.00 177.00 175.60 3kvc s GLU 364 N -2.62 0.75 -0.12 4.56 2.12 0.10 -4.52 118.70 118.97 3kvc s GLU 364 Ca 0.60 1.13 -0.25 0.00 0.36 0.00 0.00 54.97 56.82 3kvc s GLU 364 Cb -0.22 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3kvc s GLU 364 CO 0.27 -0.13 0.78 0.08 -0.54 0.00 0.00 175.26 175.72 3kvc s VAL 365 N 1.15 4.95 -0.01 3.70 1.01 0.06 -0.41 120.40 130.86 3kvc s VAL 365 Ca -0.06 1.55 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3kvc s VAL 365 Cb -0.05 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 3kvc s VAL 365 CO -0.12 0.13 -0.14 -0.13 0.00 0.00 0.00 175.10 174.84 3kvc s ARG 366 N 1.53 1.13 -0.26 2.72 0.52 -0.32 -0.65 118.95 123.62 3kvc s ARG 366 Ca 0.38 -0.52 -0.08 0.00 -0.52 0.00 0.00 55.73 54.99 3kvc s ARG 366 Cb -0.17 -1.09 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 3kvc s ARG 366 CO 0.16 0.30 0.10 0.50 0.02 0.00 0.00 175.30 176.37 3kvc s ARG 367 N -0.37 3.67 0.05 3.54 3.52 0.16 -0.70 118.95 128.81 3kvc s ARG 367 Ca 0.05 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.20 3kvc s ARG 367 Cb -0.06 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 3kvc s ARG 367 CO -0.00 -0.21 0.02 0.71 -0.81 0.00 0.00 175.30 175.00 3kvc s TYR 368 N 1.64 3.08 -0.12 5.12 2.02 -0.63 -0.19 117.35 128.26 3kvc s TYR 368 Ca 0.06 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3kvc s TYR 368 Cb -0.15 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3kvc s TYR 368 CO 0.05 0.48 -0.11 0.08 -1.57 0.00 0.00 175.55 174.49 3kvc s VAL 369 N -1.23 1.28 -0.27 0.71 1.01 -1.26 -0.42 120.40 120.23 3kvc s VAL 369 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kvc s VAL 369 Cb -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3kvc s VAL 369 CO 0.15 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.93 3kvc s LEU 370 N 1.51 3.48 0.16 3.92 1.02 0.13 -4.72 118.68 124.18 3kvc s LEU 370 Ca 0.03 -0.62 -0.30 0.00 0.02 0.00 0.00 54.13 53.26 3kvc s LEU 370 Cb -0.13 -1.82 -0.07 0.00 0.02 0.00 0.00 46.19 44.19 3kvc s LEU 370 CO -0.08 -0.13 1.11 -2.16 0.02 0.00 0.00 176.35 175.12 3kvc s PRO 371 N 1.48 4.57 0.05 1.29 0.04 -1.26 -1.31 135.00 139.86 3kvc s PRO 371 Ca 0.03 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.90 3kvc s PRO 371 Cb -0.16 -3.29 -0.20 0.00 0.04 0.00 0.00 34.50 30.89 3kvc s PRO 371 CO 0.00 0.03 1.00 -0.07 0.04 0.00 0.00 177.00 178.00 3kvc h LEU 372 N 5.31 0.00 -8.87 -3.56 3.38 -1.36 -3.45 115.31 106.76 3kvc h LEU 372 Ca -0.44 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 3kvc h LEU 372 Cb 1.21 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.77 3kvc h LEU 372 CO 0.73 0.96 -0.59 0.20 0.09 0.00 0.00 178.44 179.83 3kvc s ASN 373 N -6.39 5.38 -0.28 -0.43 0.02 -1.26 -5.07 114.94 106.92 3kvc s ASN 373 Ca -0.02 -0.06 -0.02 0.00 -1.02 0.00 0.00 52.86 51.74 3kvc s ASN 373 Cb 0.09 -1.94 0.04 0.00 0.02 0.00 0.00 41.25 39.46 3kvc s ASN 373 CO 0.82 0.07 -0.03 -0.63 0.02 0.00 0.00 177.10 177.35 3kvc s ILE 374 N 0.98 2.93 -0.24 0.60 -1.09 -1.26 -5.08 121.20 118.04 3kvc s ILE 374 Ca 0.04 -1.22 -0.07 0.00 -2.23 0.00 0.00 60.65 57.17 3kvc s ILE 374 Cb -0.14 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 3kvc s ILE 374 CO 0.03 0.03 0.07 -0.62 -1.23 0.00 0.00 174.94 173.22 3kvc s ASP 375 N 1.29 5.20 0.57 3.58 -1.08 -1.26 -5.00 116.67 119.97 3kvc s ASP 375 Ca -0.03 -0.17 0.31 0.00 -0.52 0.00 0.00 52.55 52.14 3kvc s ASP 375 Cb -0.18 -1.93 1.72 0.00 -1.46 0.00 0.00 42.92 41.07 3kvc s ASP 375 CO -0.03 -0.01 2.18 0.11 0.52 0.00 0.00 175.17 177.94 3kvc h LYS 376 N 8.06 0.00 0.00 4.34 1.57 -2.01 0.47 116.57 129.01 3kvc h LYS 376 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3kvc h LYS 376 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3kvc h LYS 376 CO 0.59 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 3kvc h ALA 377 N 1.95 1.00 -0.52 3.86 0.00 -2.04 -1.90 119.26 121.61 3kvc h ALA 377 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kvc h ALA 377 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kvc h ALA 377 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3kvc n ASP 378 N -2.79 3.12 -4.67 0.00 8.00 0.16 -4.98 116.55 115.39 3kvc n ASP 378 Ca -0.02 -2.10 -0.45 0.00 0.71 0.00 0.00 54.79 52.93 3kvc n ASP 378 Cb 0.10 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3kvc n ASP 378 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kvc n THR 379 N 0.98 0.87 -0.08 -3.53 -1.04 -0.72 -1.64 114.28 109.12 3kvc n THR 379 Ca 0.18 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kvc n THR 379 Cb 0.53 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 3kvc n THR 379 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kvc n GLY 380 N 2.25 1.20 3.70 3.41 0.00 0.21 -5.00 105.19 110.97 3kvc n GLY 380 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3kvc n GLY 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvc s LYS 381 N -0.57 2.38 -0.15 1.61 1.02 -0.65 -4.88 119.74 118.50 3kvc s LYS 381 Ca 0.00 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.25 3kvc s LYS 381 Cb 0.00 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3kvc s LYS 381 CO 0.00 0.25 1.34 1.21 -0.92 0.00 0.00 175.35 177.23 3kvc s ASN 382 N -3.77 6.88 0.05 2.83 2.47 -1.26 -2.66 114.94 119.48 3kvc s ASN 382 Ca 0.34 1.78 0.26 0.00 0.42 0.00 0.00 52.86 55.66 3kvc s ASN 382 Cb -0.05 -2.54 0.65 0.00 -1.45 0.00 0.00 41.25 37.87 3kvc s ASN 382 CO 0.22 -0.81 1.54 0.18 -3.72 0.00 0.00 177.10 174.50 3kvc n LEU 383 N 6.76 0.47 -4.53 3.21 4.77 0.39 -4.74 117.00 123.33 3kvc n LEU 383 Ca 0.15 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 3kvc n LEU 383 Cb 0.44 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3kvc n LEU 383 CO 0.57 0.02 1.28 -0.69 -1.33 0.00 0.00 177.39 177.24 3kvc s VAL 384 N -3.06 4.04 -2.32 4.08 1.01 -1.26 -4.80 120.40 118.09 3kvc s VAL 384 Ca 0.10 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 61.67 3kvc s VAL 384 Cb 0.16 -4.96 0.46 0.00 0.00 0.00 0.00 36.38 32.04 3kvc s VAL 384 CO 0.66 -1.82 1.55 0.35 0.00 0.00 0.00 175.10 175.85 3kvc n THR 385 N 6.48 0.20 -1.99 3.92 -2.24 -1.26 -4.94 114.28 114.45 3kvc n THR 385 Ca 0.23 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 3kvc n THR 385 Cb 0.50 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3kvc n THR 385 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kvc s LEU 386 N -1.62 4.19 0.41 3.22 1.43 -1.26 -4.93 118.68 120.13 3kvc s LEU 386 Ca 0.33 2.73 0.22 0.00 -1.03 0.00 0.00 54.13 56.38 3kvc s LEU 386 Cb 0.18 -3.90 0.71 0.00 0.03 0.00 0.00 46.19 43.21 3kvc s LEU 386 CO 0.27 -0.92 1.73 1.55 0.23 0.00 0.00 176.35 179.21 3kvc h PRO 387 N 2.61 0.00 -0.22 1.29 0.13 -2.03 -3.35 132.00 130.42 3kvc h PRO 387 Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 3kvc h PRO 387 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 3kvc h PRO 387 CO 0.62 0.26 -0.39 0.09 -0.23 0.00 0.00 178.00 178.35 3kvc n ASN 388 N -3.32 2.45 -4.13 1.44 3.02 -1.26 -5.00 115.26 108.45 3kvc n ASN 388 Ca 0.01 -3.85 -0.10 0.00 -0.03 0.00 0.00 54.58 50.60 3kvc n ASN 388 Cb 0.50 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 3kvc n ASN 388 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kvc s THR 389 N -3.44 0.54 -1.17 3.41 -1.32 -1.26 -5.01 115.64 107.38 3kvc s THR 389 Ca 0.42 -1.76 0.11 0.00 -1.21 0.00 0.00 61.69 59.26 3kvc s THR 389 Cb 0.39 -1.46 0.23 0.00 -1.51 0.00 0.00 72.50 70.16 3kvc s THR 389 CO -0.04 -0.83 1.11 0.35 -2.21 0.00 0.00 174.62 173.01 3kvc n THR 390 N 0.24 0.61 -1.72 5.08 -2.24 -1.26 -4.98 114.28 110.01 3kvc n THR 390 Ca -0.14 -0.80 -0.39 0.00 -2.27 0.00 0.00 64.05 60.44 3kvc n THR 390 Cb 0.60 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3kvc n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvc n ALA 391 N 0.61 1.42 -2.28 6.98 0.00 -1.26 -4.62 120.51 121.36 3kvc n ALA 391 Ca 0.10 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 3kvc n ALA 391 Cb 0.38 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 3kvc n ALA 391 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kvc s THR 392 N -1.28 1.24 -0.26 0.00 -4.23 -0.76 -4.81 115.64 105.54 3kvc s THR 392 Ca 0.68 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3kvc s THR 392 Cb -0.44 -1.99 0.15 0.00 1.34 0.00 0.00 72.50 71.56 3kvc s THR 392 CO 0.52 -0.63 0.44 0.00 -0.54 0.00 0.00 174.62 174.41 3kvc s ALA 393 N -3.29 -1.40 -0.24 3.99 0.00 -1.26 -1.57 121.76 118.00 3kvc s ALA 393 Ca 0.20 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 3kvc s ALA 393 Cb 0.03 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3kvc s ALA 393 CO 0.03 -1.32 0.12 0.42 0.00 0.00 0.00 175.76 175.01 3kvc s ILE 394 N 2.62 4.92 -0.26 0.00 1.01 0.03 -0.46 121.20 129.06 3kvc s ILE 394 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 3kvc s ILE 394 Cb -0.15 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 3kvc s ILE 394 CO -0.18 0.35 1.25 -0.22 0.00 0.00 0.00 174.94 176.14 3kvc s LEU 395 N 1.18 3.99 0.52 2.97 2.96 -1.09 -0.95 118.68 128.26 3kvc s LEU 395 Ca 0.06 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 3kvc s LEU 395 Cb -0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.03 3kvc s LEU 395 CO 0.05 -0.94 0.75 0.00 -1.32 0.00 0.00 176.35 174.89 3kvc h SER 397 N 0.15 0.79 0.00 0.00 0.02 -1.96 -2.10 113.55 110.45 3kvc h SER 397 Ca -0.43 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3kvc h SER 397 Cb 1.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3kvc h SER 397 CO 0.54 0.94 0.00 -0.90 -1.14 0.00 0.00 176.83 176.27 3kvc n ASP 398 N -4.14 0.00 0.00 3.07 5.75 -1.26 -4.87 116.55 115.09 3kvc n ASP 398 Ca 0.01 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3kvc n ASP 398 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3kvc n ASP 398 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kvc n GLU 399 N -0.60 0.00 -2.05 0.11 1.02 -0.79 -5.03 120.64 113.31 3kvc n GLU 399 Ca 0.03 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3kvc n GLU 399 Cb 0.01 -2.32 0.03 0.00 -0.02 0.00 0.00 31.44 29.14 3kvc n GLU 399 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kvc s THR 400 N -3.26 2.86 -0.28 2.62 -4.23 -1.26 -4.41 115.64 107.68 3kvc s THR 400 Ca 0.00 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 3kvc s THR 400 Cb 0.00 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.74 3kvc s THR 400 CO 0.00 -0.14 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.27 3kvc s ILE 401 N -1.75 2.04 -0.27 2.99 1.01 0.59 -0.92 121.20 124.89 3kvc s ILE 401 Ca 0.75 -1.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 3kvc s ILE 401 Cb -0.27 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 3kvc s ILE 401 CO 0.32 -0.25 0.73 0.86 0.00 0.00 0.00 174.94 176.60 3kvc s TRP 402 N 1.11 3.27 -0.06 3.97 -0.11 -0.13 -1.18 118.94 125.81 3kvc s TRP 402 Ca -0.01 0.90 -0.10 0.00 1.22 0.00 0.00 56.10 58.11 3kvc s TRP 402 Cb -0.19 -3.00 -0.05 0.00 -1.50 0.00 0.00 33.47 28.73 3kvc s TRP 402 CO -0.07 -0.41 0.25 -0.51 -4.62 0.00 0.00 176.95 171.58 3kvc s LEU 403 N 2.72 4.42 0.04 5.86 1.43 0.20 -0.79 118.68 132.55 3kvc s LEU 403 Ca 0.30 0.65 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 3kvc s LEU 403 Cb -0.15 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3kvc s LEU 403 CO 0.09 0.36 -0.22 -1.61 0.23 0.00 0.00 176.35 175.20 3kvc s GLU 404 N -1.14 1.96 0.40 1.70 0.41 -0.61 -4.68 118.70 116.73 3kvc s GLU 404 Ca 0.20 -1.03 -0.07 0.00 -0.41 0.00 0.00 54.97 53.65 3kvc s GLU 404 Cb -0.14 -2.09 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 3kvc s GLU 404 CO 0.09 0.53 0.71 -1.25 -0.49 0.00 0.00 175.26 174.85 3kvc s PRO 405 N -1.27 3.66 -0.21 0.39 0.04 -1.26 -1.83 135.00 134.52 3kvc s PRO 405 Ca 0.13 0.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.19 3kvc s PRO 405 Cb -0.10 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 3kvc s PRO 405 CO 0.03 -0.02 0.70 -2.00 0.04 0.00 0.00 177.00 175.75 3kvc s GLU 406 N -4.06 4.20 -0.07 4.56 2.12 0.74 -4.50 118.70 121.69 3kvc s GLU 406 Ca 0.48 0.72 -0.28 0.00 0.36 0.00 0.00 54.97 56.25 3kvc s GLU 406 Cb -0.10 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 3kvc s GLU 406 CO 0.35 -0.33 0.90 0.08 -0.54 0.00 0.00 175.26 175.72 3kvc s VAL 407 N 2.22 4.89 -0.19 3.70 1.01 -1.26 0.38 120.40 131.14 3kvc s VAL 407 Ca 0.31 1.86 0.17 0.00 0.00 0.00 0.00 61.98 64.31 3kvc s VAL 407 Cb -0.16 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 3kvc s VAL 407 CO 0.10 0.12 0.06 0.18 0.00 0.00 0.00 175.10 175.56 3kvc n LEU 408 N 4.38 0.01 -3.64 3.92 4.77 0.17 -4.96 117.00 121.65 3kvc n LEU 408 Ca 0.05 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3kvc n LEU 408 Cb 0.50 0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 3kvc n LEU 408 CO 0.50 0.47 0.36 0.12 -1.33 0.00 0.00 177.39 177.52 3kvc s PHE 409 N -2.46 -0.80 -0.30 -1.77 2.19 -1.19 -4.82 117.98 108.83 3kvc s PHE 409 Ca -0.09 1.87 -0.09 0.00 0.33 0.00 0.00 56.93 58.95 3kvc s PHE 409 Cb 0.06 0.33 0.15 0.00 -1.31 0.00 0.00 43.02 42.24 3kvc s PHE 409 CO 0.78 -0.39 0.68 0.45 1.83 0.00 0.00 175.22 178.56 3kvc s SER 410 N 0.64 -1.13 0.00 6.13 0.15 -1.26 -0.76 113.70 117.46 3kvc s SER 410 Ca -0.02 1.35 0.01 0.00 0.70 0.00 0.00 55.95 57.99 3kvc s SER 410 Cb -0.05 2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 66.46 3kvc s SER 410 CO -0.04 -0.22 -0.03 -0.83 1.20 0.00 0.00 173.24 173.33 3kvc s GLY 411 N 2.85 0.18 -0.06 9.45 0.00 -1.25 -5.09 107.32 113.40 3kvc s GLY 411 Ca -0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 3kvc s GLY 411 CO -0.19 -0.19 2.01 -4.14 0.00 0.00 0.00 173.10 170.59 3kvc s PRO 412 N -0.27 3.81 -1.20 2.90 0.02 -1.26 -1.85 135.00 137.15 3kvc s PRO 412 Ca -0.01 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3kvc s PRO 412 Cb -0.02 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.28 3kvc s PRO 412 CO -0.00 -1.33 0.00 0.54 -0.33 0.00 0.00 177.00 175.88 3kvc n ARG 413 N 7.92 -1.95 -3.87 5.54 1.74 -1.26 -4.91 116.66 119.86 3kvc n ARG 413 Ca 0.23 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.68 3kvc n ARG 413 Cb 0.43 -5.19 -0.15 0.00 -1.02 0.00 0.00 32.46 26.52 3kvc n ARG 413 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kvc s GLN 414 N -4.56 1.16 0.04 5.56 2.00 -0.77 -1.20 119.66 121.89 3kvc s GLN 414 Ca 0.00 -1.28 -0.13 0.00 -2.00 0.00 0.00 55.36 51.95 3kvc s GLN 414 Cb 0.00 -2.51 -0.06 0.00 0.80 0.00 0.00 33.01 31.24 3kvc s GLN 414 CO 0.00 -0.87 0.42 0.00 -0.50 0.00 0.00 175.29 174.34 3kvc s ALA 415 N 1.35 3.69 -0.41 1.58 0.00 -0.06 -3.97 121.76 123.94 3kvc s ALA 415 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 3kvc s ALA 415 Cb -0.18 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3kvc s ALA 415 CO -0.15 0.51 0.43 0.12 0.00 0.00 0.00 175.76 176.67 3kvc s PHE 416 N -1.23 3.17 0.35 0.00 2.19 -1.26 -1.05 117.98 120.15 3kvc s PHE 416 Ca 0.28 -0.32 0.07 0.00 0.33 0.00 0.00 56.93 57.29 3kvc s PHE 416 Cb -0.16 -2.88 -0.03 0.00 -1.31 0.00 0.00 43.02 38.65 3kvc s PHE 416 CO 0.16 -0.67 0.27 -1.21 1.83 0.00 0.00 175.22 175.59 3kvc s GLU 417 N 2.14 1.81 -1.36 10.12 0.41 -0.66 -4.85 118.70 126.30 3kvc s GLU 417 Ca 0.12 -2.06 -0.15 0.00 -0.41 0.00 0.00 54.97 52.47 3kvc s GLU 417 Cb -0.17 0.23 0.02 0.00 -1.78 0.00 0.00 34.13 32.43 3kvc s GLU 417 CO 0.13 -0.65 0.40 1.19 -0.49 0.00 0.00 175.26 175.85 3kvc n PHE 418 N -0.68 -1.45 -2.28 1.61 3.72 -1.26 -0.70 117.46 116.43 3kvc n PHE 418 Ca 0.06 0.42 -0.35 0.00 -0.05 0.00 0.00 57.45 57.54 3kvc n PHE 418 Cb 0.62 -3.03 -0.00 0.00 -0.94 0.00 0.00 39.48 36.13 3kvc n PHE 418 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kvc s PRO 419 N -7.10 3.40 -0.03 -1.08 0.04 -1.26 -4.01 135.00 124.96 3kvc s PRO 419 Ca 0.23 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3kvc s PRO 419 Cb -0.11 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3kvc s PRO 419 CO 0.96 -0.80 0.26 -0.65 0.04 0.00 0.00 177.00 176.81 3kvc s GLN 420 N -3.33 0.56 0.38 4.56 -1.52 0.73 -4.97 119.66 116.06 3kvc s GLN 420 Ca 0.71 -0.12 0.05 0.00 -1.95 0.00 0.00 55.36 54.06 3kvc s GLN 420 Cb -0.22 0.25 -0.02 0.00 -0.22 0.00 0.00 33.01 32.79 3kvc s GLN 420 CO 0.27 -0.14 0.20 0.96 -0.25 0.00 0.00 175.29 176.33 3kvc s ILE 421 N -1.04 0.31 -1.20 1.08 -4.36 -1.26 -0.09 121.20 114.64 3kvc s ILE 421 Ca -0.11 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.07 3kvc s ILE 421 Cb -0.05 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 3kvc s ILE 421 CO 0.03 0.00 1.83 0.21 0.24 0.00 0.00 174.94 177.25 3kvc s ASN 422 N -3.51 5.83 0.08 4.36 3.84 -1.26 -4.65 114.94 119.62 3kvc s ASN 422 Ca 0.30 -1.90 -0.15 0.00 0.21 0.00 0.00 52.86 51.32 3kvc s ASN 422 Cb 0.02 -2.58 -0.14 0.00 -0.55 0.00 0.00 41.25 37.99 3kvc s ASN 422 CO 0.20 -2.22 1.31 0.22 -2.79 0.00 0.00 177.10 173.82 3kvc h TYR 423 N 8.98 0.89 -0.94 0.43 3.20 -1.92 0.11 116.97 127.71 3kvc h TYR 423 Ca 0.30 -0.36 0.07 0.00 3.14 0.00 0.00 58.73 61.88 3kvc h TYR 423 Cb 0.92 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 3kvc h TYR 423 CO 1.30 1.15 0.61 1.96 -1.64 0.00 0.00 178.16 181.55 3kvc h GLN 424 N 0.37 1.04 0.00 1.82 4.20 -1.94 -0.25 115.11 120.35 3kvc h GLN 424 Ca -0.02 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3kvc h GLN 424 Cb 1.17 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3kvc h GLN 424 CO 0.12 0.69 -2.08 1.17 -0.67 0.00 0.00 178.83 178.06 3kvc n LYS 425 N -4.50 0.68 0.00 1.46 4.81 -1.20 -4.66 118.16 114.75 3kvc n LYS 425 Ca 0.15 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kvc n LYS 425 Cb 0.21 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3kvc n LYS 425 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kvc n TYR 426 N -2.37 0.00 -1.92 5.64 4.02 0.36 -4.93 117.16 117.95 3kvc n TYR 426 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 3kvc n TYR 426 Cb 0.72 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.01 3kvc n TYR 426 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3kvc s GLY 427 N -0.31 1.54 0.00 2.72 0.00 -0.11 -1.54 107.32 109.62 3kvc s GLY 427 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3kvc s GLY 427 CO 0.00 3.02 0.00 0.61 0.00 0.00 0.00 173.10 176.73 3kvc n GLY 428 N 4.12 0.81 3.36 0.20 0.00 -1.21 -4.96 105.19 107.50 3kvc n GLY 428 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3kvc n GLY 428 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvc s LYS 429 N -0.31 1.37 0.18 1.61 1.02 -0.59 -4.31 119.74 118.72 3kvc s LYS 429 Ca 0.00 -1.64 -0.33 0.00 0.02 0.00 0.00 55.97 54.02 3kvc s LYS 429 Cb 0.00 -1.03 -0.15 0.00 -0.52 0.00 0.00 37.83 36.13 3kvc s LYS 429 CO 0.00 0.10 1.29 -2.30 -0.92 0.00 0.00 175.35 173.52 3kvc n PRO 430 N -0.42 1.52 -3.98 -1.68 -0.02 -1.26 -4.73 135.00 124.41 3kvc n PRO 430 Ca -0.07 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 3kvc n PRO 430 Cb 0.62 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3kvc n PRO 430 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3kvc s TYR 431 N 0.01 0.44 0.00 6.00 1.13 -1.26 -4.94 117.35 118.73 3kvc s TYR 431 Ca 0.73 -0.82 0.00 0.00 -1.41 0.00 0.00 57.07 55.57 3kvc s TYR 431 Cb -0.78 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 3kvc s TYR 431 CO 0.50 -1.12 0.00 2.41 -2.51 0.00 0.00 175.55 174.83 3kvc n THR 432 N -0.45 0.00 -4.81 -3.49 -1.04 -1.26 -4.83 114.28 98.41 3kvc n THR 432 Ca -0.02 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 3kvc n THR 432 Cb 0.61 -0.58 -0.15 0.00 -1.82 0.00 0.00 70.33 68.39 3kvc n THR 432 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3kvc s TYR 433 N -1.60 1.61 0.02 -1.42 2.02 -1.26 -0.57 117.35 116.15 3kvc s TYR 433 Ca 0.00 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 3kvc s TYR 433 Cb 0.00 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3kvc s TYR 433 CO 0.00 -0.01 -0.10 0.00 -1.57 0.00 0.00 175.55 173.87 3kvc s ALA 434 N -0.49 0.78 0.01 3.71 0.00 -0.38 -4.62 121.76 120.78 3kvc s ALA 434 Ca 0.07 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3kvc s ALA 434 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3kvc s ALA 434 CO -0.00 0.13 -0.15 0.71 0.00 0.00 0.00 175.76 176.44 3kvc s TYR 435 N -0.73 2.65 0.19 0.00 2.02 0.87 -0.19 117.35 122.15 3kvc s TYR 435 Ca -0.01 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 3kvc s TYR 435 Cb -0.06 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3kvc s TYR 435 CO 0.00 0.25 0.41 0.20 -1.57 0.00 0.00 175.55 174.85 3kvc s GLY 436 N -1.27 0.25 -0.16 0.71 0.00 0.02 -0.20 107.32 106.68 3kvc s GLY 436 Ca 0.14 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 44.07 3kvc s GLY 436 CO 0.05 -0.57 0.48 -2.27 0.00 0.00 0.00 173.10 170.79 3kvc s LEU 437 N -2.94 4.22 -0.18 0.66 2.96 0.12 -0.68 118.68 122.85 3kvc s LEU 437 Ca 0.15 0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 54.61 3kvc s LEU 437 Cb 0.01 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 3kvc s LEU 437 CO 0.00 -0.07 0.47 -0.83 -1.32 0.00 0.00 176.35 174.61 3kvc s GLY 438 N 0.85 2.17 -0.18 7.98 0.00 0.14 -1.66 107.32 116.62 3kvc s GLY 438 Ca 0.24 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 3kvc s GLY 438 CO 0.10 0.92 0.01 1.08 0.00 0.00 0.00 173.10 175.20 3kvc s LEU 439 N 1.25 3.44 -0.42 0.66 1.43 -0.21 -1.22 118.68 123.60 3kvc s LEU 439 Ca 0.23 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3kvc s LEU 439 Cb -0.15 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.32 3kvc s LEU 439 CO 0.09 0.14 0.23 0.21 0.23 0.00 0.00 176.35 177.26 3kvc s ASN 440 N 0.53 5.36 -1.48 2.29 3.84 0.77 -0.89 114.94 125.36 3kvc s ASN 440 Ca -0.01 -1.96 -0.07 0.00 0.21 0.00 0.00 52.86 51.04 3kvc s ASN 440 Cb -0.14 -1.87 0.05 0.00 -0.55 0.00 0.00 41.25 38.75 3kvc s ASN 440 CO 0.02 -0.57 0.67 1.41 -2.79 0.00 0.00 177.10 175.85 3kvc n HIS 441 N 4.67 -1.86 -0.92 0.43 8.25 -0.34 -1.20 115.22 124.26 3kvc n HIS 441 Ca -0.04 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 3kvc n HIS 441 Cb 0.41 -3.75 0.00 0.00 1.12 0.00 0.00 29.99 27.77 3kvc n HIS 441 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvc n PHE 442 N -4.44 0.00 -3.57 4.41 3.72 -1.26 -4.85 117.46 111.48 3kvc n PHE 442 Ca -0.15 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.87 3kvc n PHE 442 Cb 0.61 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.76 3kvc n PHE 442 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kvc s VAL 443 N -3.22 5.30 -0.12 -4.37 1.01 -0.34 -5.00 120.40 113.66 3kvc s VAL 443 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 3kvc s VAL 443 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3kvc s VAL 443 CO 0.00 0.28 1.48 -2.16 0.00 0.00 0.00 175.10 174.70 3kvc s PRO 444 N 1.44 4.17 0.00 2.72 0.04 -1.26 -0.16 135.00 141.95 3kvc s PRO 444 Ca 0.10 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3kvc s PRO 444 Cb -0.15 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.50 3kvc s PRO 444 CO 0.08 -0.82 0.14 -0.40 0.04 0.00 0.00 177.00 176.03 3kvc n ASP 445 N 7.01 0.00 -3.64 6.66 5.75 -0.36 -3.94 116.55 128.03 3kvc n ASP 445 Ca 0.16 -1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 53.84 3kvc n ASP 445 Cb 0.44 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 3kvc n ASP 445 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kvc s ARG 446 N 0.00 1.22 -0.02 0.11 1.70 -1.19 -4.64 118.95 116.12 3kvc s ARG 446 Ca 0.00 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.54 3kvc s ARG 446 Cb 0.00 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 3kvc s ARG 446 CO 0.00 -0.50 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.17 3kvc s LEU 447 N -2.82 3.33 0.04 -1.89 1.43 -0.37 -0.69 118.68 117.70 3kvc s LEU 447 Ca 0.05 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3kvc s LEU 447 Cb 0.00 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3kvc s LEU 447 CO -0.09 0.31 -0.06 0.00 0.23 0.00 0.00 176.35 176.75 3kvc s LYS 449 N -1.97 1.71 -0.07 0.00 2.20 -0.30 -0.80 119.74 120.52 3kvc s LYS 449 Ca -0.09 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3kvc s LYS 449 Cb -0.07 -1.62 0.02 0.00 -1.51 0.00 0.00 37.83 34.64 3kvc s LYS 449 CO -0.02 0.42 -0.11 -1.17 -0.36 0.00 0.00 175.35 174.11 3kvc s LEU 450 N -0.41 1.57 -0.39 5.43 2.96 0.73 -1.44 118.68 127.14 3kvc s LEU 450 Ca 0.06 -0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.47 3kvc s LEU 450 Cb -0.09 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.82 3kvc s LEU 450 CO -0.00 0.01 0.70 0.21 -1.32 0.00 0.00 176.35 175.95 3kvc s ASN 451 N 0.80 6.44 0.18 3.68 3.84 -0.11 -1.24 114.94 128.52 3kvc s ASN 451 Ca -0.12 0.08 0.25 0.00 0.21 0.00 0.00 52.86 53.28 3kvc s ASN 451 Cb -0.15 -2.35 0.91 0.00 -0.55 0.00 0.00 41.25 39.10 3kvc s ASN 451 CO 0.02 -0.71 1.76 1.33 -2.79 0.00 0.00 177.10 176.71 3kvc n VAL 452 N 5.78 0.59 0.06 -5.21 0.24 0.26 0.11 118.33 120.16 3kvc n VAL 452 Ca 0.00 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 3kvc n VAL 452 Cb 0.48 -0.75 -0.15 0.00 -1.47 0.00 0.00 33.84 31.96 3kvc n VAL 452 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3kvc h LYS 453 N 0.00 0.35 0.00 7.34 1.57 -1.88 -3.41 116.57 120.54 3kvc h LYS 453 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3kvc h LYS 453 Cb 0.58 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kvc h LYS 453 CO 0.00 1.26 -0.86 0.25 -0.57 0.00 0.00 179.45 179.53 3kvc n THR 454 N -3.54 0.00 -0.95 -0.16 -2.24 -1.18 -5.00 114.28 101.21 3kvc n THR 454 Ca -0.25 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3kvc n THR 454 Cb 1.07 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 3kvc n THR 454 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kvc n LYS 455 N -1.47 -1.17 -1.88 -0.78 5.02 0.12 -4.99 118.16 113.00 3kvc n LYS 455 Ca 0.01 0.29 -0.40 0.00 -2.02 0.00 0.00 58.31 56.20 3kvc n LYS 455 Cb 0.24 -4.31 0.01 0.00 -0.02 0.00 0.00 35.03 30.95 3kvc n LYS 455 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3kvc s GLU 456 N -1.28 3.81 0.23 1.97 2.12 -1.24 -4.76 118.70 119.55 3kvc s GLU 456 Ca 0.00 2.34 0.08 0.00 0.36 0.00 0.00 54.97 57.75 3kvc s GLU 456 Cb 0.00 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 3kvc s GLU 456 CO 0.00 -0.69 -0.13 0.95 -0.54 0.00 0.00 175.26 174.85 3kvc s THR 457 N -1.22 1.81 0.05 -1.70 -4.23 -1.26 -0.94 115.64 108.15 3kvc s THR 457 Ca 0.59 -2.22 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3kvc s THR 457 Cb -0.42 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3kvc s THR 457 CO 0.54 -0.50 -0.09 0.26 -0.54 0.00 0.00 174.62 174.29 3kvc s TRP 458 N -2.92 0.80 0.01 3.99 0.51 -0.52 -4.98 118.94 115.82 3kvc s TRP 458 Ca 0.25 -0.47 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 3kvc s TRP 458 Cb -0.00 -0.47 -0.01 0.00 -0.81 0.00 0.00 33.47 32.18 3kvc s TRP 458 CO 0.09 -0.05 -0.03 0.08 -0.51 0.00 0.00 176.95 176.54 3kvc s VAL 459 N -1.28 0.21 -0.11 4.03 1.01 -1.26 -1.15 120.40 121.85 3kvc s VAL 459 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3kvc s VAL 459 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3kvc s VAL 459 CO 0.01 -0.06 -0.19 0.86 0.00 0.00 0.00 175.10 175.72 3kvc s TRP 460 N -0.36 2.67 0.01 5.22 -0.00 -0.08 -4.99 118.94 121.41 3kvc s TRP 460 Ca -0.02 -0.86 -0.23 0.00 -0.00 0.00 0.00 56.10 54.99 3kvc s TRP 460 Cb -0.03 -1.77 0.05 0.00 -0.00 0.00 0.00 33.47 31.72 3kvc s TRP 460 CO -0.00 -0.32 0.52 1.14 -0.00 0.00 0.00 176.95 178.29 3kvc s GLN 461 N 0.33 0.98 -0.00 5.86 -2.07 -1.26 -1.24 119.66 122.26 3kvc s GLN 461 Ca -0.15 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3kvc s GLN 461 Cb -0.17 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 3kvc s GLN 461 CO 0.07 -0.33 -0.01 -1.21 -1.32 0.00 0.00 175.29 172.49 3kvc s GLU 462 N -1.97 0.12 0.30 9.60 2.02 -1.26 -5.10 118.70 122.42 3kvc s GLU 462 Ca -0.08 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 3kvc s GLU 462 Cb -0.01 -0.14 -0.13 0.00 0.10 0.00 0.00 34.13 33.94 3kvc s GLU 462 CO 0.02 0.01 1.19 -2.30 0.02 0.00 0.00 175.26 174.21 3kvc n PRO 463 N 3.16 1.78 -2.34 0.39 -0.02 -1.26 -2.72 135.00 133.99 3kvc n PRO 463 Ca -0.14 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 3kvc n PRO 463 Cb 0.59 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3kvc n PRO 463 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kvc n ASP 464 N 1.18 -5.43 -4.03 2.55 8.00 -1.26 -4.98 116.55 112.57 3kvc n ASP 464 Ca 0.08 -0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 3kvc n ASP 464 Cb 0.33 -4.49 -0.17 0.00 -0.02 0.00 0.00 41.12 36.78 3kvc n ASP 464 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kvc s SER 465 N -2.17 2.01 -0.33 -2.24 0.01 -1.10 -4.20 113.70 105.68 3kvc s SER 465 Ca 0.00 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3kvc s SER 465 Cb 0.00 -0.91 0.10 0.00 0.21 0.00 0.00 66.02 65.42 3kvc s SER 465 CO 0.00 0.03 0.05 -0.31 0.41 0.00 0.00 173.24 173.42 3kvc s TYR 466 N 0.78 3.43 0.85 2.43 2.02 -0.12 -4.67 117.35 122.08 3kvc s TYR 466 Ca -0.12 -2.78 -0.13 0.00 -0.37 0.00 0.00 57.07 53.67 3kvc s TYR 466 Cb -0.16 -2.70 0.11 0.00 -0.40 0.00 0.00 41.96 38.82 3kvc s TYR 466 CO 0.02 -0.93 1.22 -1.25 -1.57 0.00 0.00 175.55 173.04 3kvc s PRO 467 N 1.02 1.59 0.47 -1.71 0.04 -1.25 -1.64 135.00 133.51 3kvc s PRO 467 Ca 0.10 -0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.16 3kvc s PRO 467 Cb -0.19 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 3kvc s PRO 467 CO -0.10 -1.83 0.31 -1.54 0.04 0.00 0.00 177.00 173.87 3kvc s SER 468 N -4.67 4.63 0.14 6.66 1.04 0.02 -4.75 113.70 116.77 3kvc s SER 468 Ca 0.65 -1.11 -0.34 0.00 0.48 0.00 0.00 55.95 55.63 3kvc s SER 468 Cb -0.09 -0.06 -0.17 0.00 0.10 0.00 0.00 66.02 65.80 3kvc s SER 468 CO 0.50 -0.82 1.09 1.21 0.98 0.00 0.00 173.24 176.20 3kvc n GLU 469 N -1.53 0.83 -3.13 4.02 2.13 -1.26 -4.60 120.64 117.10 3kvc n GLU 469 Ca -0.01 0.30 -0.39 0.00 0.66 0.00 0.00 57.16 57.71 3kvc n GLU 469 Cb 0.64 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 3kvc n GLU 469 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3kvc s PRO 470 N -0.30 4.41 -0.14 5.31 0.04 -1.26 -4.59 135.00 138.46 3kvc s PRO 470 Ca 0.76 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 3kvc s PRO 470 Cb -0.94 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 3kvc s PRO 470 CO 0.53 0.11 -0.06 0.42 0.04 0.00 0.00 177.00 178.04 3kvc s ILE 471 N 0.70 3.73 -0.01 0.56 1.01 0.06 -4.65 121.20 122.60 3kvc s ILE 471 Ca 0.34 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 3kvc s ILE 471 Cb -0.17 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3kvc s ILE 471 CO 0.16 0.51 0.69 0.12 0.00 0.00 0.00 174.94 176.41 3kvc s PHE 472 N 0.23 3.67 -0.12 3.97 5.36 -1.26 -0.66 117.98 129.17 3kvc s PHE 472 Ca -0.04 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.26 3kvc s PHE 472 Cb -0.14 -2.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.81 3kvc s PHE 472 CO 0.03 0.25 -0.16 0.08 -1.46 0.00 0.00 175.22 173.96 3kvc s VAL 473 N 0.15 1.61 0.39 3.12 1.01 0.28 -4.95 120.40 122.02 3kvc s VAL 473 Ca 0.36 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 3kvc s VAL 473 Cb -0.19 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 3kvc s VAL 473 CO 0.19 0.46 1.19 -0.55 0.00 0.00 0.00 175.10 176.40 3kvc s SER 474 N 1.04 6.54 0.31 3.32 0.15 -1.26 -1.44 113.70 122.36 3kvc s SER 474 Ca -0.05 2.39 -0.29 0.00 0.70 0.00 0.00 55.95 58.71 3kvc s SER 474 Cb -0.15 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.44 3kvc s SER 474 CO -0.03 -0.67 1.32 -2.28 1.20 0.00 0.00 173.24 172.78 3kvc s HIS 475 N -1.37 3.07 0.53 3.44 2.46 -0.03 -4.89 115.29 118.49 3kvc s HIS 475 Ca 0.56 1.35 0.22 0.00 0.47 0.00 0.00 55.06 57.66 3kvc s HIS 475 Cb -0.32 -3.69 1.36 0.00 -0.13 0.00 0.00 32.58 29.81 3kvc s HIS 475 CO 0.40 -1.95 2.07 -1.00 -2.47 0.00 0.00 174.74 171.79 3kvc h PRO 476 N 3.76 0.00 -0.83 2.88 0.13 -1.91 -2.04 132.00 133.98 3kvc h PRO 476 Ca -0.48 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.27 3kvc h PRO 476 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 3kvc h PRO 476 CO 0.68 0.00 0.45 -0.25 -0.23 0.00 0.00 178.00 178.64 3kvc n ASP 477 N -4.40 3.95 -4.68 1.44 8.00 -1.26 -5.03 116.55 114.57 3kvc n ASP 477 Ca 0.04 -3.50 -0.46 0.00 0.71 0.00 0.00 54.79 51.59 3kvc n ASP 477 Cb 0.38 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 3kvc n ASP 477 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kvc n ALA 478 N -0.83 1.55 -0.08 2.24 0.00 -0.77 -4.91 120.51 117.71 3kvc n ALA 478 Ca 0.50 0.43 -0.07 0.00 0.00 0.00 0.00 53.44 54.31 3kvc n ALA 478 Cb 1.51 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 3kvc n ALA 478 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kvc n LEU 479 N 3.65 0.00 -4.68 0.00 4.77 -1.26 -5.03 117.00 114.45 3kvc n LEU 479 Ca 0.17 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 3kvc n LEU 479 Cb 0.30 0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 3kvc n LEU 479 CO 0.64 0.38 -0.28 -1.61 -1.33 0.00 0.00 177.39 175.19 3kvc s GLU 480 N -2.43 2.37 0.38 3.23 0.41 -1.26 -5.04 118.70 116.35 3kvc s GLU 480 Ca -0.08 -1.43 0.05 0.00 -0.41 0.00 0.00 54.97 53.11 3kvc s GLU 480 Cb 0.05 -2.19 0.74 0.00 -1.78 0.00 0.00 34.13 30.95 3kvc s GLU 480 CO 0.66 0.30 1.99 1.49 -0.49 0.00 0.00 175.26 179.21 3kvc h GLU 481 N 1.76 0.58 -0.50 1.61 4.81 -2.02 -2.48 114.58 118.34 3kvc h GLU 481 Ca -0.44 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.60 3kvc h GLU 481 Cb 1.25 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 3kvc h GLU 481 CO 0.61 0.45 0.10 -0.40 -0.73 0.00 0.00 179.01 179.05 3kvc n ASP 482 N -4.41 4.11 -4.55 1.04 5.75 -1.26 -4.79 116.55 112.44 3kvc n ASP 482 Ca 0.03 -3.25 -0.40 0.00 -0.01 0.00 0.00 54.79 51.17 3kvc n ASP 482 Cb 0.11 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 3kvc n ASP 482 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3kvc s ASP 483 N -1.62 6.13 0.00 -1.12 1.01 -0.94 -3.14 116.67 117.00 3kvc s ASP 483 Ca 0.49 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.97 3kvc s ASP 483 Cb 0.40 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3kvc s ASP 483 CO 0.09 -1.83 0.00 0.61 0.21 0.00 0.00 175.17 174.25 3kvc n GLY 484 N 6.09 -0.83 3.33 0.21 0.00 -1.26 -0.85 105.19 111.87 3kvc n GLY 484 Ca 0.19 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 3kvc n GLY 484 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kvc s VAL 485 N -3.00 1.53 0.03 1.61 -7.23 -0.52 -0.91 120.40 111.90 3kvc s VAL 485 Ca 0.00 -2.15 0.06 0.00 -1.81 0.00 0.00 61.98 58.08 3kvc s VAL 485 Cb 0.00 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3kvc s VAL 485 CO 0.00 -0.58 -0.15 0.68 -0.31 0.00 0.00 175.10 174.74 3kvc s VAL 486 N -3.10 3.05 -0.12 1.32 -7.23 -0.42 -0.56 120.40 113.34 3kvc s VAL 486 Ca 0.22 -1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3kvc s VAL 486 Cb 0.01 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 3kvc s VAL 486 CO 0.06 0.37 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.34 3kvc s LEU 487 N -1.39 2.82 0.01 1.32 1.43 0.17 -1.59 118.68 121.44 3kvc s LEU 487 Ca 0.15 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3kvc s LEU 487 Cb -0.11 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3kvc s LEU 487 CO 0.06 0.19 -0.03 -0.55 0.23 0.00 0.00 176.35 176.25 3kvc s SER 488 N 0.22 0.27 -0.17 2.29 0.15 -0.64 -0.76 113.70 115.06 3kvc s SER 488 Ca -0.07 -0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 3kvc s SER 488 Cb -0.15 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 3kvc s SER 488 CO 0.05 -0.08 0.39 -0.69 1.20 0.00 0.00 173.24 174.11 3kvc s VAL 489 N -0.52 5.22 -0.06 4.45 1.01 -1.26 -0.19 120.40 129.05 3kvc s VAL 489 Ca -0.04 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3kvc s VAL 489 Cb -0.04 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3kvc s VAL 489 CO -0.00 0.30 -0.23 -0.69 0.00 0.00 0.00 175.10 174.48 3kvc s VAL 490 N 0.97 1.86 -0.16 2.92 1.01 0.11 -0.80 120.40 126.33 3kvc s VAL 490 Ca 0.20 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3kvc s VAL 490 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kvc s VAL 490 CO 0.07 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.07 3kvc s VAL 491 N -0.07 4.79 -0.42 2.92 1.01 -0.65 -0.32 120.40 127.65 3kvc s VAL 491 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.97 3kvc s VAL 491 Cb -0.13 -3.13 0.25 0.00 0.00 0.00 0.00 36.38 33.37 3kvc s VAL 491 CO 0.04 0.51 0.64 -1.54 0.00 0.00 0.00 175.10 174.74 3kvc n SER 492 N 3.10 -0.73 -4.78 3.32 3.41 -0.25 -0.95 113.62 116.74 3kvc n SER 492 Ca -0.17 -2.89 -0.37 0.00 -0.26 0.00 0.00 58.87 55.18 3kvc n SER 492 Cb 0.53 0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3kvc n SER 492 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3kvc s PRO 493 N -0.66 4.17 0.00 4.33 0.04 -1.25 -4.29 135.00 137.34 3kvc s PRO 493 Ca 0.34 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3kvc s PRO 493 Cb 0.19 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3kvc s PRO 493 CO -0.15 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3kvc n GLY 494 N 0.43 1.40 3.66 0.56 0.00 -1.26 -4.95 105.19 105.03 3kvc n GLY 494 Ca 0.05 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3kvc n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvc s ALA 495 N -2.00 3.61 -1.13 4.61 0.00 -1.26 -3.41 121.76 122.17 3kvc s ALA 495 Ca 0.00 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 3kvc s ALA 495 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3kvc s ALA 495 CO 0.00 -1.42 0.48 0.41 0.00 0.00 0.00 175.76 175.23 3kvc n GLY 496 N 4.18 -0.19 3.16 0.00 0.00 -1.26 -5.01 105.19 106.06 3kvc n GLY 496 Ca 0.18 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3kvc n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kvc s GLN 497 N -5.43 1.14 0.19 1.61 -0.21 -1.22 -5.11 119.66 110.62 3kvc s GLN 497 Ca 0.24 -0.72 -0.33 0.00 0.02 0.00 0.00 55.36 54.57 3kvc s GLN 497 Cb -0.11 -1.15 -0.14 0.00 1.00 0.00 0.00 33.01 32.62 3kvc s GLN 497 CO 0.30 0.30 1.51 1.63 -2.12 0.00 0.00 175.29 176.90 3kvc n LYS 498 N 2.17 2.09 0.27 2.91 4.76 -1.26 -4.67 118.16 124.43 3kvc n LYS 498 Ca -0.17 0.75 0.15 0.00 -2.87 0.00 0.00 58.31 56.18 3kvc n LYS 498 Cb 0.54 -2.47 0.74 0.00 -1.84 0.00 0.00 35.03 32.01 3kvc n LYS 498 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3kvc h PRO 499 N 5.20 0.00 -2.82 1.97 0.13 -1.74 -3.42 132.00 131.32 3kvc h PRO 499 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3kvc h PRO 499 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 3kvc h PRO 499 CO 0.83 0.08 0.22 0.00 -0.23 0.00 0.00 178.00 178.90 3kvc s ALA 500 N -3.91 -1.63 -0.04 -0.56 0.00 -1.24 -1.09 121.76 113.28 3kvc s ALA 500 Ca -0.01 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3kvc s ALA 500 Cb 0.11 0.73 0.07 0.00 0.00 0.00 0.00 23.12 24.03 3kvc s ALA 500 CO 0.55 -0.70 0.66 1.52 0.00 0.00 0.00 175.76 177.79 3kvc s TYR 501 N -3.33 -0.64 -0.06 0.00 -0.85 0.56 -1.56 117.35 111.48 3kvc s TYR 501 Ca -0.01 1.05 -0.30 0.00 -0.52 0.00 0.00 57.07 57.30 3kvc s TYR 501 Cb -0.01 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 3kvc s TYR 501 CO -0.09 -0.61 1.02 -1.17 -1.52 0.00 0.00 175.55 173.18 3kvc s LEU 502 N -1.28 4.29 -0.14 -3.49 0.20 -0.34 0.08 118.68 118.00 3kvc s LEU 502 Ca -0.10 1.61 -0.04 0.00 0.69 0.00 0.00 54.13 56.28 3kvc s LEU 502 Cb -0.00 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 3kvc s LEU 502 CO 0.09 -0.41 0.02 -0.22 -0.29 0.00 0.00 176.35 175.54 3kvc s LEU 503 N 1.71 3.61 -0.18 -0.68 2.96 0.73 -0.05 118.68 126.78 3kvc s LEU 503 Ca 0.50 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3kvc s LEU 503 Cb -0.20 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3kvc s LEU 503 CO 0.22 0.26 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.69 3kvc s ILE 504 N -0.16 2.23 0.10 6.68 1.01 -0.26 -1.61 121.20 129.18 3kvc s ILE 504 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3kvc s ILE 504 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3kvc s ILE 504 CO 0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.64 3kvc s LEU 505 N 1.25 3.09 0.02 2.97 1.43 -0.62 -0.48 118.68 126.34 3kvc s LEU 505 Ca 0.04 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3kvc s LEU 505 Cb -0.13 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3kvc s LEU 505 CO -0.10 0.18 1.28 0.21 0.23 0.00 0.00 176.35 178.15 3kvc s ASN 506 N -2.20 6.97 0.50 2.29 3.84 0.83 -1.31 114.94 125.87 3kvc s ASN 506 Ca 0.22 2.03 0.28 0.00 0.21 0.00 0.00 52.86 55.60 3kvc s ASN 506 Cb -0.11 -2.57 1.30 0.00 -0.55 0.00 0.00 41.25 39.32 3kvc s ASN 506 CO 0.14 -0.60 1.99 0.00 -2.79 0.00 0.00 177.10 175.84 3kvc h ALA 507 N 7.29 1.13 -0.50 1.71 0.00 -1.25 0.29 119.26 127.93 3kvc h ALA 507 Ca -0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3kvc h ALA 507 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3kvc h ALA 507 CO 0.86 0.17 0.28 0.87 0.00 0.00 0.00 179.25 181.44 3kvc h LYS 508 N 0.00 0.69 0.00 0.00 1.79 -1.75 -3.39 116.57 113.91 3kvc h LYS 508 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kvc h LYS 508 Cb 0.49 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3kvc h LYS 508 CO 0.02 0.53 0.00 -0.40 -1.08 0.00 0.00 179.45 178.52 3kvc n ASP 509 N -4.67 0.16 -1.85 0.86 5.75 -1.16 -5.01 116.55 110.63 3kvc n ASP 509 Ca 0.02 -1.07 -0.18 0.00 -0.01 0.00 0.00 54.79 53.55 3kvc n ASP 509 Cb 0.08 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3kvc n ASP 509 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kvc n LEU 510 N -0.03 -1.46 -4.79 -2.12 4.77 0.10 -4.82 117.00 108.65 3kvc n LEU 510 Ca 0.00 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.92 3kvc n LEU 510 Cb 0.40 -2.61 -0.06 0.00 -2.33 0.00 0.00 43.42 38.83 3kvc n LEU 510 CO 0.00 -0.67 0.69 -0.94 -1.33 0.00 0.00 177.39 175.13 3kvc s SER 511 N -2.36 7.05 0.21 -1.43 1.04 -1.25 -4.69 113.70 112.27 3kvc s SER 511 Ca 0.00 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.04 3kvc s SER 511 Cb 0.00 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 3kvc s SER 511 CO 0.00 -0.28 1.12 -0.70 0.98 0.00 0.00 173.24 174.36 3kvc s GLU 512 N -2.37 4.59 -0.12 4.02 2.12 -1.26 -0.12 118.70 125.56 3kvc s GLU 512 Ca 0.55 1.77 0.03 0.00 0.36 0.00 0.00 54.97 57.68 3kvc s GLU 512 Cb -0.19 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 3kvc s GLU 512 CO 0.24 0.08 -0.07 0.28 -0.54 0.00 0.00 175.26 175.25 3kvc n VAL 513 N 2.06 0.69 -3.60 3.70 0.31 0.37 -4.82 118.33 117.04 3kvc n VAL 513 Ca 0.02 -0.31 -0.04 0.00 -0.01 0.00 0.00 64.34 64.00 3kvc n VAL 513 Cb 0.45 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.49 3kvc n VAL 513 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kvc s ALA 514 N -2.24 -1.94 0.09 3.52 0.00 -0.93 -1.93 121.76 118.33 3kvc s ALA 514 Ca -0.13 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.82 3kvc s ALA 514 Cb 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3kvc s ALA 514 CO 0.31 -0.80 -0.11 1.03 0.00 0.00 0.00 175.76 176.20 3kvc s ARG 515 N -2.82 0.81 -0.30 0.00 0.52 -0.74 -1.10 118.95 115.32 3kvc s ARG 515 Ca 0.09 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 3kvc s ARG 515 Cb -0.00 -0.57 0.09 0.00 0.52 0.00 0.00 34.95 35.00 3kvc s ARG 515 CO -0.05 0.10 0.06 0.00 0.02 0.00 0.00 175.30 175.43 3kvc s ALA 516 N -2.11 1.84 0.07 2.13 0.00 0.93 -1.51 121.76 123.11 3kvc s ALA 516 Ca 0.02 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 3kvc s ALA 516 Cb -0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 3kvc s ALA 516 CO 0.01 -1.57 0.55 -1.21 0.00 0.00 0.00 175.76 173.53 3kvc s GLU 517 N 1.45 4.14 0.29 0.00 2.02 0.27 -1.20 118.70 125.67 3kvc s GLU 517 Ca 0.07 0.67 0.10 0.00 0.02 0.00 0.00 54.97 55.83 3kvc s GLU 517 Cb -0.18 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 30.79 3kvc s GLU 517 CO -0.18 0.63 -0.14 0.14 0.02 0.00 0.00 175.26 175.73 3kvc s VAL 518 N -1.15 2.20 -0.87 2.63 -7.23 -0.60 -0.64 120.40 114.75 3kvc s VAL 518 Ca 0.29 -2.28 0.17 0.00 -1.81 0.00 0.00 61.98 58.35 3kvc s VAL 518 Cb -0.19 -2.40 0.73 0.00 0.56 0.00 0.00 36.38 35.08 3kvc s VAL 518 CO 0.18 -0.35 1.64 -0.62 -0.31 0.00 0.00 175.10 175.65 3kvc n GLU 519 N -0.64 3.96 -4.27 4.82 -0.58 -1.26 -3.49 120.64 119.17 3kvc n GLU 519 Ca -0.05 -2.94 -0.17 0.00 -0.42 0.00 0.00 57.16 53.58 3kvc n GLU 519 Cb 0.62 -1.97 -0.10 0.00 -0.57 0.00 0.00 31.44 29.41 3kvc n GLU 519 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3kvc s ILE 520 N -2.10 1.39 0.59 -3.67 -4.36 -1.26 -4.79 121.20 107.01 3kvc s ILE 520 Ca 0.51 -1.98 -0.16 0.00 -0.26 0.00 0.00 60.65 58.76 3kvc s ILE 520 Cb 0.35 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 3kvc s ILE 520 CO 0.22 -0.59 1.07 0.21 0.24 0.00 0.00 174.94 176.09 3kvc s ASN 521 N -2.96 5.70 -0.07 4.36 2.47 -1.26 -3.98 114.94 119.20 3kvc s ASN 521 Ca 0.16 1.89 -0.01 0.00 0.42 0.00 0.00 52.86 55.31 3kvc s ASN 521 Cb -0.01 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.27 3kvc s ASN 521 CO 0.03 -1.23 -0.02 -0.63 -3.72 0.00 0.00 177.10 171.53 3kvc s ILE 522 N -2.35 0.54 0.89 -5.21 1.01 -1.26 -5.00 121.20 109.82 3kvc s ILE 522 Ca 0.65 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 61.17 3kvc s ILE 522 Cb -0.17 -0.64 0.13 0.00 0.01 0.00 0.00 42.46 41.78 3kvc s ILE 522 CO 0.36 0.28 1.17 -2.84 0.00 0.00 0.00 174.94 173.90 3kvc s PRO 523 N 1.71 1.33 0.18 2.79 0.02 -1.26 -4.73 135.00 135.04 3kvc s PRO 523 Ca 0.02 0.15 -0.31 0.00 0.02 0.00 0.00 61.00 60.88 3kvc s PRO 523 Cb -0.13 -1.87 -0.16 0.00 0.02 0.00 0.00 34.50 32.36 3kvc s PRO 523 CO -0.05 -2.04 0.90 1.55 -0.33 0.00 0.00 177.00 177.04 3kvc n VAL 524 N -3.63 1.35 -4.63 3.83 3.14 -0.06 -4.99 118.33 113.34 3kvc n VAL 524 Ca 0.08 -0.34 -0.27 0.00 -2.96 0.00 0.00 64.34 60.85 3kvc n VAL 524 Cb 0.60 -0.47 -0.14 0.00 -1.06 0.00 0.00 33.84 32.77 3kvc n VAL 524 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3kvc s THR 525 N -0.60 1.89 -0.08 1.55 -4.23 -1.26 -3.87 115.64 109.04 3kvc s THR 525 Ca 0.70 -1.38 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 3kvc s THR 525 Cb -0.91 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 3kvc s THR 525 CO 0.56 0.20 -0.13 0.49 -0.54 0.00 0.00 174.62 175.20 3kvc n PHE 526 N 1.59 0.33 -4.23 3.99 3.72 0.25 -4.61 117.46 118.50 3kvc n PHE 526 Ca -0.18 0.14 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 3kvc n PHE 526 Cb 0.53 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 3kvc n PHE 526 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3kvc s HIS 527 N -1.79 1.19 0.00 1.38 3.76 -1.03 -4.58 115.29 114.22 3kvc s HIS 527 Ca -0.11 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.60 3kvc s HIS 527 Cb 0.01 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 33.05 3kvc s HIS 527 CO 0.16 -0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 3kvc n GLY 528 N -0.27 0.96 3.38 -2.22 0.00 -1.26 -1.39 105.19 104.40 3kvc n GLY 528 Ca -0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3kvc n GLY 528 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kvc s LEU 529 N 0.00 0.41 -0.20 0.99 0.05 0.19 -4.87 118.68 115.25 3kvc s LEU 529 Ca 0.00 -0.45 -0.06 0.00 0.05 0.00 0.00 54.13 53.67 3kvc s LEU 529 Cb 0.00 1.83 -0.03 0.00 -2.05 0.00 0.00 46.19 45.94 3kvc s LEU 529 CO 0.00 -0.92 0.01 0.12 -0.55 0.00 0.00 176.35 175.02 3kvc s PHE 530 N -3.85 3.08 -0.34 3.48 5.36 -1.26 -0.72 117.98 123.72 3kvc s PHE 530 Ca 0.07 -0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 55.66 3kvc s PHE 530 Cb 0.01 -2.08 0.05 0.00 -0.34 0.00 0.00 43.02 40.66 3kvc s PHE 530 CO -0.08 -0.14 0.11 0.21 -1.46 0.00 0.00 175.22 173.86 3kvc s LYS 531 N 0.85 2.58 0.38 10.12 2.20 0.02 -4.98 119.74 130.91 3kvc s LYS 531 Ca 0.01 -1.23 -0.25 0.00 -0.36 0.00 0.00 55.97 54.14 3kvc s LYS 531 Cb -0.14 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 3kvc s LYS 531 CO 0.02 -0.70 1.08 0.15 -0.36 0.00 0.00 175.35 175.54 3kvc s LYS 532 N 1.38 4.21 0.00 4.03 1.02 -1.26 -1.47 119.74 127.65 3kvc s LYS 532 Ca -0.01 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.59 3kvc s LYS 532 Cb -0.20 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3kvc s LYS 532 CO 0.02 -0.12 0.13 -1.13 -0.92 0.00 0.00 175.35 173.33