#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvc n GLN 4 N 0.00 1.89 -2.73 4.33 -0.06 -1.26 -4.97 117.38 114.59 3kvc n GLN 4 Ca 0.00 0.69 -0.41 0.00 -2.00 0.00 0.00 57.00 55.27 3kvc n GLN 4 Cb 0.00 -2.45 -0.04 0.00 -4.06 0.00 0.00 30.24 23.69 3kvc n GLN 4 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3kvc s VAL 5 N 2.10 4.64 0.13 1.69 1.01 -1.26 -5.06 120.40 123.65 3kvc s VAL 5 Ca 0.86 2.06 0.08 0.00 0.00 0.00 0.00 61.98 64.98 3kvc s VAL 5 Cb -0.77 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 3kvc s VAL 5 CO 0.46 0.26 -0.09 -1.61 0.00 0.00 0.00 175.10 174.12 3kvc s GLU 6 N 0.36 2.13 -0.38 2.72 0.41 -1.26 -5.08 118.70 117.60 3kvc s GLU 6 Ca 0.49 -1.09 0.13 0.00 -0.41 0.00 0.00 54.97 54.08 3kvc s GLU 6 Cb -0.22 -2.27 0.42 0.00 -1.78 0.00 0.00 34.13 30.27 3kvc s GLU 6 CO 0.29 0.49 0.94 0.72 -0.49 0.00 0.00 175.26 177.20 3kvc n HIS 7 N 0.49 1.72 0.17 1.61 8.25 -1.26 -4.92 115.22 121.27 3kvc n HIS 7 Ca -0.13 -3.21 0.13 0.00 -0.26 0.00 0.00 57.72 54.26 3kvc n HIS 7 Cb 0.53 -0.34 0.69 0.00 1.12 0.00 0.00 29.99 31.99 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 2.91 0.00 0.00 -0.41 0.13 -1.97 -2.40 132.00 130.26 3kvc h PRO 8 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3kvc h PRO 8 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3kvc h PRO 8 CO 0.61 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.30 3kvc h ALA 9 N 1.89 1.11 -0.33 -0.56 0.00 -2.04 -3.44 119.26 115.89 3kvc h ALA 9 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kvc h ALA 9 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kvc h ALA 9 CO -0.00 0.09 -0.08 0.41 0.00 0.00 0.00 179.25 179.67 3kvc n GLY 10 N -0.45 0.49 0.38 0.00 0.00 -0.90 -4.92 105.19 99.79 3kvc n GLY 10 Ca -0.01 -0.83 0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.91 -2.34 103.07 100.81 3kvc h GLY 11 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3kvc h GLY 11 CO 0.11 0.00 -0.01 0.10 0.00 0.00 0.00 176.54 176.74 3kvc h TYR 12 N 0.00 0.00 -0.00 5.60 -0.00 -1.93 -2.36 116.97 118.28 3kvc h TYR 12 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.92 3kvc h TYR 12 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.68 3kvc h TYR 12 CO 0.00 0.01 0.00 0.87 -0.00 0.00 0.00 178.16 179.05 3kvc h LYS 13 N 0.00 0.00 0.00 0.10 1.57 -1.71 -1.74 116.57 114.79 3kvc h LYS 13 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kvc h LYS 13 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kvc h LYS 13 CO 0.00 0.00 -0.13 0.87 -0.57 0.00 0.00 179.45 179.62 3kvc h LYS 14 N 0.00 0.00 -0.22 3.15 1.79 -1.66 -2.16 116.57 117.46 3kvc h LYS 14 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 3kvc h LYS 14 Cb 0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3kvc h LYS 14 CO -0.00 0.13 0.24 -0.07 -1.08 0.00 0.00 179.45 178.67 3kvc h LEU 15 N 0.00 0.00 -3.19 2.94 3.38 -1.52 -3.03 115.31 113.88 3kvc h LEU 15 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kvc h LEU 15 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3kvc h LEU 15 CO 0.02 0.00 -0.27 0.49 0.09 0.00 0.00 178.44 178.76 3kvc n PHE 16 N -3.81 0.59 -4.84 1.13 3.72 -0.81 -0.85 117.46 112.58 3kvc n PHE 16 Ca 0.03 -1.56 -0.33 0.00 -0.05 0.00 0.00 57.45 55.54 3kvc n PHE 16 Cb 0.37 -0.38 -0.14 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.25 3.02 0.42 -1.08 2.12 -1.15 -4.92 118.70 113.87 3kvc s GLU 17 Ca 0.42 -0.70 -0.25 0.00 0.36 0.00 0.00 54.97 54.80 3kvc s GLU 17 Cb 0.39 -2.52 -0.10 0.00 0.26 0.00 0.00 34.13 32.16 3kvc s GLU 17 CO -0.03 0.38 1.06 2.41 -0.54 0.00 0.00 175.26 178.53 3kvc n THR 18 N 3.03 2.47 -4.35 -1.70 -1.04 -1.26 -4.72 114.28 106.71 3kvc n THR 18 Ca -0.18 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.15 3kvc n THR 18 Cb 0.52 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.70 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 -1.25 1.12 -0.07 12.58 -7.23 -0.75 -5.03 120.40 119.77 3kvc s VAL 19 Ca 0.63 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.67 3kvc s VAL 19 Cb -0.55 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 3kvc s VAL 19 CO 0.57 -0.30 0.23 -1.61 -0.31 0.00 0.00 175.10 173.68 3kvc s GLU 20 N -3.85 3.58 0.98 4.82 2.02 -1.26 -4.76 118.70 120.24 3kvc s GLU 20 Ca 0.29 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 55.17 3kvc s GLU 20 Cb 0.06 -3.18 0.18 0.00 0.10 0.00 0.00 34.13 31.28 3kvc s GLU 20 CO 0.10 0.74 1.09 -1.83 0.02 0.00 0.00 175.26 175.37 3kvc s GLU 21 N -1.15 0.54 0.05 1.61 -1.05 -1.26 -5.04 118.70 112.39 3kvc s GLU 21 Ca 0.19 0.64 0.02 0.00 -0.15 0.00 0.00 54.97 55.67 3kvc s GLU 21 Cb -0.13 -1.74 -0.04 0.00 -0.44 0.00 0.00 34.13 31.78 3kvc s GLU 21 CO 0.08 -2.69 0.06 -0.51 0.95 0.00 0.00 175.26 173.16 3kvc s LEU 22 N -6.46 3.76 0.19 1.83 1.43 -0.72 -5.02 118.68 113.68 3kvc s LEU 22 Ca 0.65 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 3kvc s LEU 22 Cb -0.19 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.75 3kvc s LEU 22 CO 0.58 0.21 1.44 0.77 0.23 0.00 0.00 176.35 179.58 3kvc h SER 23 N 3.65 0.07 -5.12 2.29 4.64 -1.97 -3.45 113.55 113.66 3kvc h SER 23 Ca -0.48 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 60.76 3kvc h SER 23 Cb 1.17 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 3kvc h SER 23 CO 0.63 0.85 -0.02 -0.94 -0.87 0.00 0.00 176.83 176.48 3kvc s SER 24 N -6.82 -0.20 0.62 4.97 1.04 -1.26 -5.12 113.70 106.93 3kvc s SER 24 Ca -0.01 -0.59 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 3kvc s SER 24 Cb 0.11 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3kvc s SER 24 CO 0.80 -1.06 1.22 -2.84 0.98 0.00 0.00 173.24 172.34 3kvc s PRO 25 N -3.91 2.77 0.10 4.02 0.02 -1.26 -4.86 135.00 131.88 3kvc s PRO 25 Ca 0.12 1.85 0.10 0.00 0.02 0.00 0.00 61.00 63.10 3kvc s PRO 25 Cb -0.01 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3kvc s PRO 25 CO -0.00 -1.37 -0.27 -1.17 -0.33 0.00 0.00 177.00 173.86 3kvc s LEU 26 N -4.30 2.28 -0.23 -5.54 0.20 0.98 -4.90 118.68 107.17 3kvc s LEU 26 Ca 0.78 -0.70 -0.20 0.00 0.69 0.00 0.00 54.13 54.70 3kvc s LEU 26 Cb -0.31 -1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 3kvc s LEU 26 CO 0.36 0.20 0.60 -0.89 -0.29 0.00 0.00 176.35 176.33 3kvc s THR 27 N -0.98 5.02 0.43 3.68 2.01 -1.26 -0.02 115.64 124.52 3kvc s THR 27 Ca 0.13 1.08 -0.14 0.00 0.31 0.00 0.00 61.69 63.08 3kvc s THR 27 Cb -0.10 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 3kvc s THR 27 CO 0.05 0.08 0.85 0.00 -0.69 0.00 0.00 174.62 174.91 3kvc s ALA 28 N 2.20 3.23 -0.32 7.40 0.00 0.10 -4.95 121.76 129.42 3kvc s ALA 28 Ca 0.26 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3kvc s ALA 28 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3kvc s ALA 28 CO 0.09 -0.02 0.58 -1.58 0.00 0.00 0.00 175.76 174.83 3kvc s HIS 29 N -2.38 3.20 -0.12 0.00 5.04 -0.13 -4.67 115.29 116.23 3kvc s HIS 29 Ca 0.55 0.43 -0.22 0.00 -1.54 0.00 0.00 55.06 54.29 3kvc s HIS 29 Cb -0.10 -2.97 -0.03 0.00 0.04 0.00 0.00 32.58 29.52 3kvc s HIS 29 CO 0.28 -0.50 0.64 0.08 -2.34 0.00 0.00 174.74 172.90 3kvc s VAL 30 N 2.53 5.07 0.02 0.89 1.01 -1.26 -0.66 120.40 128.00 3kvc s VAL 30 Ca 0.23 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.55 3kvc s VAL 30 Cb -0.15 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3kvc s VAL 30 CO 0.12 0.22 -0.20 0.42 0.00 0.00 0.00 175.10 175.67 3kvc s THR 31 N 1.09 2.61 0.00 3.92 -4.23 0.23 -5.01 115.64 114.25 3kvc s THR 31 Ca 0.33 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3kvc s THR 31 Cb -0.17 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3kvc s THR 31 CO 0.14 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3kvc n GLY 32 N 1.78 -1.11 2.91 3.99 0.00 -1.26 -1.20 105.19 110.31 3kvc n GLY 32 Ca -0.16 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3kvc n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kvc s ARG 33 N 0.00 1.58 0.06 1.61 3.52 -1.18 -4.95 118.95 119.58 3kvc s ARG 33 Ca 0.00 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.73 3kvc s ARG 33 Cb 0.00 -2.07 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 3kvc s ARG 33 CO 0.00 -0.42 1.15 0.42 -0.81 0.00 0.00 175.30 175.65 3kvc s ILE 34 N 1.59 4.16 0.35 4.11 1.01 -1.26 -4.60 121.20 126.56 3kvc s ILE 34 Ca 0.01 1.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.95 3kvc s ILE 34 Cb -0.15 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3kvc s ILE 34 CO -0.08 0.13 1.52 -2.84 0.00 0.00 0.00 174.94 173.68 3kvc s PRO 35 N 0.93 4.11 0.32 2.79 0.02 -1.26 -4.59 135.00 137.32 3kvc s PRO 35 Ca 0.57 2.58 0.26 0.00 0.02 0.00 0.00 61.00 64.43 3kvc s PRO 35 Cb -0.28 -2.98 0.94 0.00 0.02 0.00 0.00 34.50 32.19 3kvc s PRO 35 CO 0.29 -0.57 1.77 -0.07 -0.33 0.00 0.00 177.00 178.10 3kvc h LEU 36 N 3.52 0.00 -0.08 -5.54 3.38 -1.96 -2.31 115.31 112.31 3kvc h LEU 36 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kvc h LEU 36 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3kvc h LEU 36 CO 0.68 0.00 0.00 -2.67 0.09 0.00 0.00 178.44 176.54 3kvc n TRP 37 N -2.51 0.39 -2.73 1.13 4.27 -1.26 -4.72 117.44 112.01 3kvc n TRP 37 Ca 0.03 0.12 -0.42 0.00 -3.89 0.00 0.00 57.50 53.34 3kvc n TRP 37 Cb 0.34 -0.70 -0.03 0.00 -1.36 0.00 0.00 31.31 29.55 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 -3.65 3.83 -0.06 5.67 2.96 -0.87 -4.92 118.68 121.64 3kvc s LEU 38 Ca 0.11 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3kvc s LEU 38 Cb 0.14 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 44.13 3kvc s LEU 38 CO 0.49 -1.47 0.06 -0.89 -1.32 0.00 0.00 176.35 173.23 3kvc s THR 39 N 4.58 -0.09 -5.00 3.68 2.01 -1.26 -4.37 115.64 115.19 3kvc s THR 39 Ca 0.32 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.66 3kvc s THR 39 Cb -0.12 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.18 3kvc s THR 39 CO 0.17 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 3kvc n GLY 40 N 5.29 0.05 2.96 4.40 0.00 -0.96 -1.94 105.19 115.00 3kvc n GLY 40 Ca -0.04 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 1.67 -0.39 1.61 0.01 0.50 -0.86 113.70 112.24 3kvc s SER 41 Ca 0.00 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.78 3kvc s SER 41 Cb 0.00 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.51 3kvc s SER 41 CO 0.00 -0.02 0.75 -0.22 0.41 0.00 0.00 173.24 174.16 3kvc s LEU 42 N 0.97 4.21 -0.19 2.44 2.96 0.20 -0.37 118.68 128.90 3kvc s LEU 42 Ca -0.09 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 3kvc s LEU 42 Cb -0.15 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 3kvc s LEU 42 CO 0.00 -0.77 0.03 -0.76 -1.32 0.00 0.00 176.35 173.53 3kvc s LEU 43 N 3.09 3.50 0.04 -0.68 1.43 0.79 -1.35 118.68 125.50 3kvc s LEU 43 Ca 0.29 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3kvc s LEU 43 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3kvc s LEU 43 CO 0.19 0.11 -0.06 -0.13 0.23 0.00 0.00 176.35 176.69 3kvc s ARG 44 N 0.71 0.52 0.08 1.70 0.52 -0.71 -0.68 118.95 121.10 3kvc s ARG 44 Ca 0.01 -0.82 0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3kvc s ARG 44 Cb -0.14 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.13 3kvc s ARG 44 CO 0.02 0.01 -0.27 0.00 0.02 0.00 0.00 175.30 175.09 3kvc s GLY 46 N -1.61 -0.20 0.32 0.00 0.00 -0.88 -0.40 107.32 104.55 3kvc s GLY 46 Ca 0.13 0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 3kvc s GLY 46 CO 0.04 -0.01 1.08 2.56 0.00 0.00 0.00 173.10 176.76 3kvc s PRO 47 N -3.54 4.48 0.00 2.90 0.04 -1.25 0.03 135.00 137.66 3kvc s PRO 47 Ca 0.11 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3kvc s PRO 47 Cb -0.03 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3kvc s PRO 47 CO 0.03 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.58 3kvc n GLY 48 N 0.92 0.61 2.83 0.56 0.00 0.11 -4.57 105.19 105.65 3kvc n GLY 48 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.07 1.22 0.00 0.99 2.96 -1.23 -1.80 118.68 119.75 3kvc s LEU 49 Ca 0.00 -0.51 0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3kvc s LEU 49 Cb 0.00 -0.73 0.30 0.00 0.50 0.00 0.00 46.19 46.26 3kvc s LEU 49 CO 0.00 -0.20 1.20 0.49 -1.32 0.00 0.00 176.35 176.52 3kvc n PHE 50 N 4.98 0.39 -3.56 5.38 3.01 -1.26 -1.54 117.46 124.86 3kvc n PHE 50 Ca -0.10 -0.32 -0.16 0.00 1.01 0.00 0.00 57.45 57.88 3kvc n PHE 50 Cb 0.48 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 3kvc n PHE 50 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3kvc s GLU 51 N -1.07 1.02 -0.39 -1.08 1.03 -1.26 -1.75 118.70 115.20 3kvc s GLU 51 Ca 0.25 -0.01 -0.03 0.00 0.03 0.00 0.00 54.97 55.22 3kvc s GLU 51 Cb 0.14 0.47 0.10 0.00 -0.80 0.00 0.00 34.13 34.05 3kvc s GLU 51 CO 0.20 -0.34 0.17 0.08 -1.33 0.00 0.00 175.26 174.03 3kvc s VAL 52 N -1.81 3.22 0.00 1.83 1.01 0.62 -4.95 120.40 120.32 3kvc s VAL 52 Ca -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 59.93 3kvc s VAL 52 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3kvc s VAL 52 CO 0.04 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.14 3kvc n GLY 53 N 4.59 3.46 1.20 4.51 0.00 -1.26 -1.48 105.19 116.20 3kvc n GLY 53 Ca -0.03 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 8.63 3.49 -4.55 1.61 3.41 -1.26 -4.87 113.62 120.08 3kvc n SER 54 Ca 0.00 -1.99 -0.39 0.00 -0.26 0.00 0.00 58.87 56.23 3kvc n SER 54 Cb 0.00 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.19 3.66 0.31 4.33 2.02 -0.55 -5.08 118.70 122.21 3kvc s GLU 55 Ca 0.43 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.78 3kvc s GLU 55 Cb 0.23 -3.73 -0.08 0.00 0.10 0.00 0.00 34.13 30.65 3kvc s GLU 55 CO 0.30 -0.34 0.68 -1.25 0.02 0.00 0.00 175.26 174.68 3kvc s PRO 56 N 1.73 3.90 0.11 0.39 0.04 -1.26 -0.27 135.00 139.63 3kvc s PRO 56 Ca 0.06 0.50 -0.22 0.00 0.04 0.00 0.00 61.00 61.39 3kvc s PRO 56 Cb -0.17 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 3kvc s PRO 56 CO 0.10 0.17 0.66 -0.06 0.04 0.00 0.00 177.00 177.92 3kvc s PHE 57 N -2.01 3.85 -0.10 0.56 0.08 -0.72 -4.91 117.98 114.73 3kvc s PHE 57 Ca 0.51 1.43 0.09 0.00 0.12 0.00 0.00 56.93 59.09 3kvc s PHE 57 Cb -0.10 -2.62 -0.24 0.00 -0.57 0.00 0.00 43.02 39.48 3kvc s PHE 57 CO 0.21 0.54 0.43 0.66 -0.10 0.00 0.00 175.22 176.96 3kvc n TYR 58 N 1.73 0.79 -4.20 0.36 4.01 -1.26 -4.90 117.16 113.68 3kvc n TYR 58 Ca -0.08 0.25 -0.29 0.00 -0.16 0.00 0.00 57.90 57.61 3kvc n TYR 58 Cb 0.50 -1.13 -0.09 0.00 -0.31 0.00 0.00 39.34 38.30 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 -2.56 2.80 0.52 -0.72 2.46 -1.26 -0.08 115.29 116.44 3kvc s HIS 59 Ca -0.11 -0.13 0.33 0.00 0.47 0.00 0.00 55.06 55.62 3kvc s HIS 59 Cb 0.07 -1.45 1.47 0.00 -0.13 0.00 0.00 32.58 32.54 3kvc s HIS 59 CO 0.80 0.45 1.80 1.25 -2.47 0.00 0.00 174.74 176.57 3kvc h LEU 60 N 3.48 0.08 -3.70 8.88 5.85 -1.59 -1.54 115.31 126.78 3kvc h LEU 60 Ca -0.48 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.10 3kvc h LEU 60 Cb 1.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 3kvc h LEU 60 CO 0.54 0.01 0.19 0.49 -0.34 0.00 0.00 178.44 179.33 3kvc n PHE 61 N -4.27 2.37 -0.08 1.25 3.72 -1.26 -4.43 117.46 114.76 3kvc n PHE 61 Ca 0.25 -1.05 -0.10 0.00 -0.05 0.00 0.00 57.45 56.50 3kvc n PHE 61 Cb 1.17 -0.64 -0.12 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.11 1.42 -4.71 4.37 8.00 -0.58 -4.44 116.55 120.72 3kvc n ASP 62 Ca 0.37 -0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.51 3kvc n ASP 62 Cb 1.34 0.57 0.12 0.00 -0.02 0.00 0.00 41.12 43.14 3kvc n ASP 62 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kvc s GLY 63 N -5.23 2.08 0.12 0.44 0.00 -1.26 -4.89 107.32 98.58 3kvc s GLY 63 Ca -0.13 0.75 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 3kvc s GLY 63 CO 0.61 1.16 1.21 1.20 0.00 0.00 0.00 173.10 177.28 3kvc s GLN 64 N -4.23 4.45 -0.01 2.90 -1.52 -0.59 -4.51 119.66 116.15 3kvc s GLN 64 Ca 0.71 1.83 -0.37 0.00 -1.95 0.00 0.00 55.36 55.58 3kvc s GLN 64 Cb -0.27 -3.30 -0.16 0.00 -0.22 0.00 0.00 33.01 29.07 3kvc s GLN 64 CO 0.51 -0.20 1.50 0.00 -0.25 0.00 0.00 175.29 176.85 3kvc n ALA 65 N 3.34 -0.47 -3.32 6.09 0.00 -1.26 -0.71 120.51 124.18 3kvc n ALA 65 Ca 0.07 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.70 3kvc n ALA 65 Cb 0.45 -2.16 -0.17 0.00 0.00 0.00 0.00 19.45 17.58 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 1.52 1.87 -0.22 0.00 2.96 0.10 -1.81 118.68 123.10 3kvc s LEU 66 Ca 0.88 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.28 3kvc s LEU 66 Cb -0.95 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3kvc s LEU 66 CO 0.51 0.10 0.11 -0.22 -1.32 0.00 0.00 176.35 175.53 3kvc s LEU 67 N 0.48 3.91 0.09 -0.68 2.96 -0.39 -2.07 118.68 122.96 3kvc s LEU 67 Ca -0.16 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3kvc s LEU 67 Cb -0.17 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3kvc s LEU 67 CO 0.06 0.09 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.99 3kvc s HIS 68 N 0.89 2.52 -0.05 5.38 3.76 -0.07 -1.50 115.29 126.22 3kvc s HIS 68 Ca 0.06 -0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3kvc s HIS 68 Cb -0.13 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.21 3kvc s HIS 68 CO 0.03 0.32 0.10 0.21 -0.85 0.00 0.00 174.74 174.55 3kvc s LYS 69 N -1.84 -0.01 -0.26 1.40 2.20 0.24 -1.73 119.74 119.74 3kvc s LYS 69 Ca 0.16 0.38 -0.08 0.00 -0.36 0.00 0.00 55.97 56.07 3kvc s LYS 69 Cb -0.10 -0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 35.87 3kvc s LYS 69 CO 0.08 -0.25 0.09 -0.06 -0.36 0.00 0.00 175.35 174.84 3kvc s PHE 70 N 1.74 3.11 -0.15 4.03 0.08 -0.46 -1.50 117.98 124.84 3kvc s PHE 70 Ca -0.02 -0.45 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 3kvc s PHE 70 Cb -0.12 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 3kvc s PHE 70 CO -0.04 -0.37 0.21 -0.51 -0.10 0.00 0.00 175.22 174.40 3kvc s ASP 71 N 1.62 6.38 -0.19 1.36 1.01 -0.56 -0.63 116.67 125.66 3kvc s ASP 71 Ca 0.06 0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 3kvc s ASP 71 Cb -0.16 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.65 3kvc s ASP 71 CO 0.04 0.22 -0.11 -0.36 0.21 0.00 0.00 175.17 175.17 3kvc s PHE 72 N -0.04 2.87 -0.13 4.23 0.40 -0.04 -1.95 117.98 123.32 3kvc s PHE 72 Ca 0.14 -1.13 -0.05 0.00 -0.60 0.00 0.00 56.93 55.29 3kvc s PHE 72 Cb -0.12 -2.00 0.06 0.00 0.51 0.00 0.00 43.02 41.47 3kvc s PHE 72 CO 0.03 -0.58 0.27 0.21 0.70 0.00 0.00 175.22 175.84 3kvc s LYS 73 N 1.23 0.17 -1.67 0.44 2.20 -0.43 -2.26 119.74 119.42 3kvc s LYS 73 Ca 0.02 0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 3kvc s LYS 73 Cb -0.14 -0.05 0.14 0.00 -1.51 0.00 0.00 37.83 36.28 3kvc s LYS 73 CO -0.05 -0.26 0.78 0.39 -0.36 0.00 0.00 175.35 175.85 3kvc n GLU 74 N 5.09 -3.35 -0.73 4.03 1.02 -1.26 -0.36 120.64 125.07 3kvc n GLU 74 Ca -0.11 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3kvc n GLU 74 Cb 0.50 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 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 -1.47 0.80 3.69 0.62 0.00 -1.26 -5.04 105.19 102.53 3kvc n GLY 75 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.03 2.96 -0.01 1.61 3.76 0.51 -4.67 115.29 116.42 3kvc s HIS 76 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.85 3kvc s HIS 76 Cb 0.00 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.22 3kvc s HIS 76 CO 0.00 0.50 -0.02 0.08 -0.85 0.00 0.00 174.74 174.45 3kvc s VAL 77 N -1.51 0.21 0.24 -0.90 1.01 -1.26 -1.31 120.40 116.88 3kvc s VAL 77 Ca 0.27 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.31 3kvc s VAL 77 Cb -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3kvc s VAL 77 CO 0.19 0.09 -0.19 0.42 0.00 0.00 0.00 175.10 175.61 3kvc s THR 78 N 0.33 2.25 -0.04 3.92 -4.23 -0.82 -0.73 115.64 116.33 3kvc s THR 78 Ca -0.03 -2.27 0.04 0.00 -1.18 0.00 0.00 61.69 58.25 3kvc s THR 78 Cb -0.06 -2.18 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 3kvc s THR 78 CO -0.01 -0.39 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.07 3kvc s TYR 79 N -2.43 1.45 0.01 3.99 5.04 0.97 -1.50 117.35 124.87 3kvc s TYR 79 Ca 0.26 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.44 3kvc s TYR 79 Cb -0.05 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.27 3kvc s TYR 79 CO 0.12 -0.14 0.08 -1.58 -1.34 0.00 0.00 175.55 172.69 3kvc s HIS 80 N 0.10 0.12 -0.08 4.97 5.65 -0.56 -0.01 115.29 125.47 3kvc s HIS 80 Ca -0.04 -0.27 -0.15 0.00 0.25 0.00 0.00 55.06 54.86 3kvc s HIS 80 Cb -0.10 -0.10 0.03 0.00 -1.18 0.00 0.00 32.58 31.23 3kvc s HIS 80 CO 0.02 -0.25 0.36 -0.98 -0.65 0.00 0.00 174.74 173.23 3kvc s ARG 81 N -1.41 0.57 -0.05 2.88 1.70 -1.26 -0.60 118.95 120.79 3kvc s ARG 81 Ca -0.15 0.19 -0.04 0.00 -0.47 0.00 0.00 55.73 55.26 3kvc s ARG 81 Cb -0.08 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3kvc s ARG 81 CO 0.01 -0.13 0.12 1.03 -1.08 0.00 0.00 175.30 175.25 3kvc s ARG 82 N -0.56 0.12 0.41 3.89 1.81 -0.56 -1.76 118.95 122.30 3kvc s ARG 82 Ca -0.07 0.20 -0.26 0.00 -1.72 0.00 0.00 55.73 53.88 3kvc s ARG 82 Cb -0.04 0.01 -0.09 0.00 -0.45 0.00 0.00 34.95 34.38 3kvc s ARG 82 CO 0.03 -0.05 1.35 -0.06 -0.68 0.00 0.00 175.30 175.89 3kvc s PHE 83 N 0.30 2.71 -0.14 -0.53 0.08 -1.26 -1.27 117.98 117.88 3kvc s PHE 83 Ca -0.02 1.35 -0.29 0.00 0.12 0.00 0.00 56.93 58.09 3kvc s PHE 83 Cb -0.03 -3.77 -0.01 0.00 -0.57 0.00 0.00 43.02 38.64 3kvc s PHE 83 CO -0.01 -2.38 1.03 0.42 -0.10 0.00 0.00 175.22 174.17 3kvc s ILE 84 N -1.23 4.73 -1.15 0.64 1.01 -0.75 -4.86 121.20 119.59 3kvc s ILE 84 Ca 0.57 2.01 -0.14 0.00 0.00 0.00 0.00 60.65 63.10 3kvc s ILE 84 Cb -0.40 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.70 3kvc s ILE 84 CO 0.52 -0.04 2.23 0.54 0.00 0.00 0.00 174.94 178.19 3kvc n ARG 85 N 5.37 2.39 -1.87 2.79 5.12 -1.26 -4.74 116.66 124.46 3kvc n ARG 85 Ca 0.10 -2.04 -0.29 0.00 -1.93 0.00 0.00 57.85 53.68 3kvc n ARG 85 Cb 0.48 -2.91 0.12 0.00 -1.16 0.00 0.00 32.46 28.99 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 3.66 2.00 0.31 0.55 -4.23 -1.26 -4.81 115.64 111.85 3kvc s THR 86 Ca 0.53 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3kvc s THR 86 Cb 0.14 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.27 3kvc s THR 86 CO -0.01 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 176.47 3kvc h ASP 87 N -1.24 0.91 -0.07 3.99 3.32 -1.92 -0.45 116.42 120.95 3kvc h ASP 87 Ca -0.46 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3kvc h ASP 87 Cb 1.31 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3kvc h ASP 87 CO 0.59 0.64 0.05 0.00 -1.72 0.00 0.00 179.24 178.79 3kvc h ALA 88 N 1.51 0.09 -0.08 3.45 0.00 -1.93 -1.05 119.26 121.25 3kvc h ALA 88 Ca 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kvc h ALA 88 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kvc h ALA 88 CO -0.08 -0.41 -0.18 -0.92 0.00 0.00 0.00 179.25 177.66 3kvc h TYR 89 N 0.08 0.33 -0.15 0.00 3.20 -1.80 -2.33 116.97 116.30 3kvc h TYR 89 Ca 0.03 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 3kvc h TYR 89 Cb 0.01 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3kvc h TYR 89 CO -0.07 0.79 0.09 0.28 -1.64 0.00 0.00 178.16 177.61 3kvc h VAL 90 N -0.23 1.07 -0.68 1.81 2.07 -1.08 -0.60 116.25 118.61 3kvc h VAL 90 Ca -0.00 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3kvc h VAL 90 Cb 0.78 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3kvc h VAL 90 CO 0.04 0.06 0.17 0.03 0.02 0.00 0.00 177.57 177.90 3kvc h ARG 91 N 0.18 1.09 -0.92 1.57 3.08 -1.28 0.26 114.38 118.36 3kvc h ARG 91 Ca 0.05 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.89 3kvc h ARG 91 Cb 0.02 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3kvc h ARG 91 CO -0.01 0.96 0.59 0.00 -1.07 0.00 0.00 179.97 180.45 3kvc h ALA 92 N 1.08 1.23 -0.21 0.04 0.00 -1.21 0.39 119.26 120.58 3kvc h ALA 92 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3kvc h ALA 92 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kvc h ALA 92 CO 0.00 0.43 -0.42 0.52 0.00 0.00 0.00 179.25 179.77 3kvc h MET 93 N 1.13 0.51 -0.01 0.00 2.86 -0.63 -0.04 114.93 118.74 3kvc h MET 93 Ca 0.38 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3kvc h MET 93 Cb 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3kvc h MET 93 CO -0.14 0.84 -0.24 1.15 1.06 0.00 0.00 176.91 179.58 3kvc h THR 94 N 0.41 1.53 -0.00 2.22 2.02 -0.59 -3.32 112.91 115.19 3kvc h THR 94 Ca 0.03 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3kvc h THR 94 Cb 0.92 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 3kvc h THR 94 CO 0.08 0.52 -0.29 -0.62 0.37 0.00 0.00 175.52 175.58 3kvc n GLU 95 N -4.51 0.46 -2.93 6.66 1.02 0.13 -4.96 120.64 116.52 3kvc n GLU 95 Ca -0.10 -0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 56.59 3kvc n GLU 95 Cb 0.49 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.06 -3.83 -3.94 3.49 5.02 -0.04 -4.96 118.16 112.85 3kvc n LYS 96 Ca 0.10 0.81 -0.09 0.00 -2.02 0.00 0.00 58.31 57.11 3kvc n LYS 96 Cb 0.33 -5.59 -0.03 0.00 -0.02 0.00 0.00 35.03 29.72 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 -5.59 1.78 -0.27 1.97 1.70 -1.16 -4.77 118.95 112.61 3kvc s ARG 97 Ca 0.24 -1.26 -0.29 0.00 -0.47 0.00 0.00 55.73 53.95 3kvc s ARG 97 Cb -0.11 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3kvc s ARG 97 CO 0.30 -0.78 1.23 0.42 -1.08 0.00 0.00 175.30 175.39 3kvc s ILE 98 N -3.59 4.28 -0.26 4.99 1.01 -1.26 -4.20 121.20 122.18 3kvc s ILE 98 Ca 0.19 1.48 0.02 0.00 0.00 0.00 0.00 60.65 62.34 3kvc s ILE 98 Cb -0.03 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 3kvc s ILE 98 CO 0.10 -0.38 -0.21 0.52 0.00 0.00 0.00 174.94 174.97 3kvc n VAL 99 N 5.90 1.50 -4.00 2.92 0.31 -1.26 -4.74 118.33 118.95 3kvc n VAL 99 Ca 0.14 -0.57 -0.35 0.00 -0.01 0.00 0.00 64.34 63.55 3kvc n VAL 99 Cb 0.46 -1.42 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 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 4.82 0.22 2.52 -1.09 -1.26 -4.79 121.20 119.10 3kvc s ILE 100 Ca -0.34 -0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 57.74 3kvc s ILE 100 Cb 0.09 -3.17 -0.10 0.00 -1.58 0.00 0.00 42.46 37.70 3kvc s ILE 100 CO 0.61 0.47 1.53 -0.89 -1.23 0.00 0.00 174.94 175.43 3kvc s THR 101 N 0.29 2.50 0.37 2.92 2.01 -1.26 -4.57 115.64 117.90 3kvc s THR 101 Ca 0.04 0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.50 3kvc s THR 101 Cb -0.12 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 3kvc s THR 101 CO 0.00 0.05 0.32 -1.61 -0.69 0.00 0.00 174.62 172.69 3kvc s GLU 102 N 0.29 2.64 0.13 4.92 0.41 -0.03 -4.29 118.70 122.77 3kvc s GLU 102 Ca 0.65 -1.40 -0.16 0.00 -0.41 0.00 0.00 54.97 53.65 3kvc s GLU 102 Cb -0.44 -2.43 0.05 0.00 -1.78 0.00 0.00 34.13 29.53 3kvc s GLU 102 CO 0.39 -0.02 1.01 0.34 -0.49 0.00 0.00 175.26 176.48 3kvc n PHE 103 N -1.44 -0.14 -0.92 1.61 7.35 -1.26 -2.30 117.46 120.37 3kvc n PHE 103 Ca 0.00 0.81 0.09 0.00 -0.76 0.00 0.00 57.45 57.59 3kvc n PHE 103 Cb 0.61 -0.64 0.13 0.00 0.35 0.00 0.00 39.48 39.92 3kvc n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kvc n GLY 104 N -1.23 4.55 2.79 7.13 0.00 -1.26 -1.14 105.19 116.02 3kvc n GLY 104 Ca 0.04 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.61 0.52 0.12 2.61 2.01 -0.97 -4.43 115.64 112.88 3kvc s THR 105 Ca 0.29 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3kvc s THR 105 Cb 0.25 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 3kvc s THR 105 CO 0.03 0.21 1.04 0.00 -0.69 0.00 0.00 174.62 175.22 3kvc n ALA 107 N 2.86 0.00 -1.65 0.00 0.00 -1.26 -4.94 120.51 115.52 3kvc n ALA 107 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 3kvc n ALA 107 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3kvc n ALA 107 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kvc n GLU 127 N -0.29 -1.83 -2.50 0.00 1.02 -1.26 -4.91 120.64 110.87 3kvc n GLU 127 Ca 0.00 1.66 -0.41 0.00 -0.02 0.00 0.00 57.16 58.40 3kvc n GLU 127 Cb 0.00 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.16 3kvc n GLU 127 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kvc s VAL 128 N -0.23 3.67 0.35 2.62 1.01 -1.26 -4.58 120.40 121.98 3kvc s VAL 128 Ca -0.04 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 3kvc s VAL 128 Cb 0.00 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 3kvc s VAL 128 CO 0.11 0.33 1.37 0.28 0.00 0.00 0.00 175.10 177.20 3kvc s THR 129 N -0.78 2.48 -0.23 3.92 -1.32 -1.26 -4.92 115.64 113.52 3kvc s THR 129 Ca 0.46 0.48 0.15 0.00 -1.21 0.00 0.00 61.69 61.57 3kvc s THR 129 Cb -0.31 -3.31 0.34 0.00 -1.51 0.00 0.00 72.50 67.72 3kvc s THR 129 CO 0.38 0.12 1.25 -0.90 -2.21 0.00 0.00 174.62 173.25 3kvc n ASP 130 N 0.70 2.95 -4.56 8.08 5.75 -1.26 -4.72 116.55 123.49 3kvc n ASP 130 Ca 0.00 -2.78 -0.24 0.00 -0.01 0.00 0.00 54.79 51.76 3kvc n ASP 130 Cb 0.41 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.03 4.40 -1.54 -1.12 2.47 -1.26 -4.83 114.94 111.03 3kvc s ASN 131 Ca 0.30 0.20 -0.09 0.00 0.42 0.00 0.00 52.86 53.69 3kvc s ASN 131 Cb 0.25 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.45 3kvc s ASN 131 CO 0.06 -3.26 2.88 0.00 -3.72 0.00 0.00 177.10 173.06 3kvc n ALA 132 N 16.49 7.43 1.59 1.71 0.00 -1.26 -4.41 120.51 142.06 3kvc n ALA 132 Ca 0.40 -3.60 0.14 0.00 0.00 0.00 0.00 53.44 50.39 3kvc n ALA 132 Cb 0.48 -3.25 0.62 0.00 0.00 0.00 0.00 19.45 17.30 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 3.22 1.07 -0.11 0.00 -0.00 -1.24 -4.15 117.00 115.78 3kvc n LEU 133 Ca 0.75 -0.34 -0.21 0.00 -0.00 0.00 0.00 56.01 56.21 3kvc n LEU 133 Cb 0.25 -0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 43.57 3kvc n LEU 133 CO 0.81 0.18 -0.95 0.52 -0.00 0.00 0.00 177.39 177.95 3kvc n VAL 134 N -0.21 1.51 -3.98 1.47 0.31 -0.78 -2.32 118.33 114.33 3kvc n VAL 134 Ca 0.19 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 3kvc n VAL 134 Cb 0.29 -2.06 -0.04 0.00 -0.91 0.00 0.00 33.84 31.13 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 -6.87 0.08 -0.01 4.52 3.84 -1.02 -2.31 114.94 113.18 3kvc s ASN 135 Ca -0.32 -1.02 0.02 0.00 0.21 0.00 0.00 52.86 51.75 3kvc s ASN 135 Cb 0.09 0.65 -0.00 0.00 -0.55 0.00 0.00 41.25 41.44 3kvc s ASN 135 CO 0.48 -1.26 -0.06 -0.51 -2.79 0.00 0.00 177.10 172.95 3kvc s ILE 136 N -3.62 0.52 0.07 -5.21 2.07 -1.26 -0.75 121.20 113.02 3kvc s ILE 136 Ca 0.22 -0.27 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 3kvc s ILE 136 Cb -0.02 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.15 3kvc s ILE 136 CO 0.11 0.15 0.31 -0.72 -1.91 0.00 0.00 174.94 172.88 3kvc s TYR 137 N -0.11 -0.09 0.05 3.50 1.13 0.70 -4.72 117.35 117.81 3kvc s TYR 137 Ca 0.02 -0.12 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 3kvc s TYR 137 Cb -0.03 0.11 -0.06 0.00 -1.10 0.00 0.00 41.96 40.87 3kvc s TYR 137 CO -0.00 -0.55 0.62 -1.25 -2.51 0.00 0.00 175.55 171.86 3kvc s PRO 138 N -2.98 4.32 -0.08 -3.49 0.04 -1.26 -1.12 135.00 130.42 3kvc s PRO 138 Ca -0.02 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 61.83 3kvc s PRO 138 Cb 0.01 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3kvc s PRO 138 CO -0.06 0.49 -0.05 0.08 0.04 0.00 0.00 177.00 177.50 3kvc s VAL 139 N -0.65 0.76 0.00 -0.36 1.01 -0.32 -4.97 120.40 115.87 3kvc s VAL 139 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3kvc s VAL 139 Cb -0.19 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kvc s VAL 139 CO 0.19 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3kvc n GLY 140 N 4.75 3.18 0.63 4.51 0.00 -1.26 -0.44 105.19 116.57 3kvc n GLY 140 Ca -0.14 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 1.85 -3.45 1.61 1.02 -1.26 -4.92 120.64 129.49 3kvc n GLU 141 Ca 0.00 -1.26 -0.20 0.00 -0.02 0.00 0.00 57.16 55.68 3kvc n GLU 141 Cb 0.00 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.84 6.01 -0.01 1.62 1.01 0.42 -5.10 116.67 118.77 3kvc s ASP 142 Ca 0.35 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.62 3kvc s ASP 142 Cb 0.20 -1.41 -0.01 0.00 1.01 0.00 0.00 42.92 42.71 3kvc s ASP 142 CO 0.31 -0.43 -0.15 -0.31 0.21 0.00 0.00 175.17 174.80 3kvc s TYR 143 N -2.22 1.38 -0.09 4.23 1.51 -1.26 -1.17 117.35 119.73 3kvc s TYR 143 Ca 0.44 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 3kvc s TYR 143 Cb -0.10 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 3kvc s TYR 143 CO 0.32 -0.02 -0.12 0.71 -1.11 0.00 0.00 175.55 175.32 3kvc s TYR 144 N -0.36 1.63 0.33 2.71 2.02 -0.27 -1.14 117.35 122.26 3kvc s TYR 144 Ca 0.06 -0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 55.91 3kvc s TYR 144 Cb -0.06 -1.21 -0.09 0.00 -0.40 0.00 0.00 41.96 40.20 3kvc s TYR 144 CO -0.01 -0.38 0.74 0.00 -1.57 0.00 0.00 175.55 174.33 3kvc s ALA 145 N 0.96 3.31 0.09 3.71 0.00 0.01 -0.21 121.76 129.63 3kvc s ALA 145 Ca -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 3kvc s ALA 145 Cb -0.15 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.20 3kvc s ALA 145 CO -0.00 0.33 0.25 0.00 0.00 0.00 0.00 175.76 176.34 3kvc n THR 147 N 0.02 0.00 -1.07 0.00 5.66 -1.26 -1.87 114.28 115.76 3kvc n THR 147 Ca -0.16 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 60.94 3kvc n THR 147 Cb 0.62 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.56 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 1.47 -1.08 1.09 1.02 -1.26 -3.73 120.64 118.14 3kvc n GLU 148 Ca 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 3kvc n GLU 148 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.33 0.00 0.64 2.62 -2.24 -1.26 -3.36 114.28 109.35 3kvc n THR 149 Ca 0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 3kvc n THR 149 Cb 0.67 -0.71 0.45 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.04 0.29 -4.59 3.42 6.94 -1.25 -2.97 115.26 115.06 3kvc n ASN 150 Ca 0.00 0.55 -0.37 0.00 -0.02 0.00 0.00 54.58 54.74 3kvc n ASN 150 Cb 0.00 -0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 36.69 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 -3.09 3.22 0.28 -2.53 0.08 -1.26 0.14 117.98 114.82 3kvc s PHE 151 Ca 0.09 0.03 0.12 0.00 0.12 0.00 0.00 56.93 57.29 3kvc s PHE 151 Cb 0.13 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3kvc s PHE 151 CO 0.42 -0.10 -0.17 0.96 -0.10 0.00 0.00 175.22 176.23 3kvc s ILE 152 N 1.36 2.61 -0.20 0.64 -4.36 -0.65 -4.46 121.20 116.15 3kvc s ILE 152 Ca 0.07 -2.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 3kvc s ILE 152 Cb -0.15 -2.38 0.05 0.00 1.25 0.00 0.00 42.46 41.24 3kvc s ILE 152 CO 0.06 -0.39 -0.05 -0.89 0.24 0.00 0.00 174.94 173.91 3kvc s THR 153 N -2.49 1.32 0.22 8.37 2.01 -0.46 -0.67 115.64 123.93 3kvc s THR 153 Ca 0.30 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 3kvc s THR 153 Cb -0.05 -1.55 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 3kvc s THR 153 CO 0.16 -0.00 1.49 -0.75 -0.69 0.00 0.00 174.62 174.83 3kvc s LYS 154 N 1.51 4.24 0.08 4.92 2.20 0.22 -0.81 119.74 132.11 3kvc s LYS 154 Ca -0.03 2.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.95 3kvc s LYS 154 Cb -0.17 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3kvc s LYS 154 CO -0.07 -0.50 -0.09 0.14 -0.36 0.00 0.00 175.35 174.47 3kvc s VAL 155 N 0.44 0.81 -0.33 4.02 -7.23 -0.29 -0.59 120.40 117.21 3kvc s VAL 155 Ca 0.63 -1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 3kvc s VAL 155 Cb -0.43 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 3kvc s VAL 155 CO 0.39 -0.55 0.60 0.21 -0.31 0.00 0.00 175.10 175.44 3kvc s ASN 156 N -2.29 6.42 0.13 4.85 3.84 -0.20 -4.21 114.94 123.48 3kvc s ASN 156 Ca 0.02 0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.52 3kvc s ASN 156 Cb -0.04 -2.31 0.86 0.00 -0.55 0.00 0.00 41.25 39.21 3kvc s ASN 156 CO -0.01 -0.51 1.65 -0.81 -2.79 0.00 0.00 177.10 174.63 3kvc n PRO 157 N 5.90 0.11 -0.05 0.43 -0.04 -1.26 -0.42 135.00 139.66 3kvc n PRO 157 Ca -0.02 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 3kvc n PRO 157 Cb 0.49 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 3kvc n PRO 157 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kvc n GLU 158 N -1.89 0.67 -0.01 0.54 4.71 -1.26 -4.59 120.64 118.81 3kvc n GLU 158 Ca 0.04 0.39 0.09 0.00 -0.01 0.00 0.00 57.16 57.66 3kvc n GLU 158 Cb 0.24 -1.71 -0.13 0.00 -1.01 0.00 0.00 31.44 28.83 3kvc n GLU 158 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3kvc n THR 159 N -3.90 0.00 -1.17 2.62 -2.24 -1.20 -4.98 114.28 103.42 3kvc n THR 159 Ca -0.34 -0.35 -0.06 0.00 -2.27 0.00 0.00 64.05 61.04 3kvc n THR 159 Cb 0.89 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.99 -0.19 -4.78 3.22 4.77 0.43 -4.97 117.00 113.49 3kvc n LEU 160 Ca -0.02 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 3kvc n LEU 160 Cb 0.43 -1.61 -0.00 0.00 -2.33 0.00 0.00 43.42 39.91 3kvc n LEU 160 CO 0.37 -0.53 0.76 -1.61 -1.33 0.00 0.00 177.39 175.04 3kvc s GLU 161 N -2.03 3.39 -0.07 3.23 2.02 -1.25 -4.77 118.70 119.23 3kvc s GLU 161 Ca 0.00 1.49 -0.22 0.00 0.02 0.00 0.00 54.97 56.25 3kvc s GLU 161 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3kvc s GLU 161 CO 0.00 -0.79 0.66 0.99 0.02 0.00 0.00 175.26 176.14 3kvc s THR 162 N -1.95 5.05 -0.18 3.63 2.01 -1.26 -1.03 115.64 121.91 3kvc s THR 162 Ca 0.70 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.88 3kvc s THR 162 Cb -0.21 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 3kvc s THR 162 CO 0.28 0.28 -0.34 -0.38 -0.69 0.00 0.00 174.62 173.77 3kvc n ILE 163 N 3.66 1.50 -3.87 1.82 5.41 0.24 -4.95 119.36 123.17 3kvc n ILE 163 Ca -0.03 0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.76 3kvc n ILE 163 Cb 0.51 -2.32 -0.02 0.00 -0.71 0.00 0.00 39.64 37.10 3kvc n ILE 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3kvc s LYS 164 N -2.84 1.85 -0.14 0.38 -2.85 -1.17 -5.00 119.74 109.97 3kvc s LYS 164 Ca -0.29 -1.11 -0.05 0.00 -1.00 0.00 0.00 55.97 53.53 3kvc s LYS 164 Cb 0.05 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.38 3kvc s LYS 164 CO 0.42 -0.85 0.03 -1.14 0.10 0.00 0.00 175.35 173.91 3kvc s GLN 165 N -3.62 3.56 -0.10 1.78 0.74 -1.26 -0.61 119.66 120.15 3kvc s GLN 165 Ca 0.13 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.19 3kvc s GLN 165 Cb -0.05 -3.01 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 3kvc s GLN 165 CO 0.08 0.44 -0.20 0.08 -0.55 0.00 0.00 175.29 175.14 3kvc s VAL 166 N -0.14 2.41 -0.43 1.34 1.01 0.15 -4.97 120.40 119.77 3kvc s VAL 166 Ca 0.06 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 3kvc s VAL 166 Cb -0.12 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kvc s VAL 166 CO 0.02 0.55 0.32 -0.62 0.00 0.00 0.00 175.10 175.37 3kvc s ASP 167 N 0.19 6.05 0.53 3.32 -1.08 -1.26 -1.63 116.67 122.79 3kvc s ASP 167 Ca -0.12 -1.10 0.20 0.00 -0.52 0.00 0.00 52.55 51.01 3kvc s ASP 167 Cb -0.16 -2.14 1.37 0.00 -1.46 0.00 0.00 42.92 40.53 3kvc s ASP 167 CO 0.07 -0.52 2.11 -0.07 0.52 0.00 0.00 175.17 177.28 3kvc h LEU 168 N 8.64 0.00 -2.35 -1.34 3.38 -0.68 -0.77 115.31 122.19 3kvc h LEU 168 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kvc h LEU 168 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kvc h LEU 168 CO 0.78 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 179.27 3kvc h ASN 170 N 0.00 0.29 0.00 0.00 2.35 -1.52 -3.36 115.58 113.34 3kvc h ASN 170 Ca -0.00 -0.04 -0.26 0.00 -0.55 0.00 0.00 56.30 55.45 3kvc h ASN 170 Cb 0.14 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 3kvc h ASN 170 CO 0.01 0.35 -2.00 -1.22 -1.65 0.00 0.00 177.43 172.92 3kvc n TYR 171 N -4.36 0.00 -3.93 1.19 4.01 -0.19 -5.05 117.16 108.82 3kvc n TYR 171 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3kvc n TYR 171 Cb 0.19 -0.70 -0.08 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.35 0.17 -1.43 -0.72 -7.23 -0.41 -4.87 120.40 103.55 3kvc s VAL 172 Ca -0.11 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 3kvc s VAL 172 Cb 0.05 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.64 3kvc s VAL 172 CO 0.55 -0.75 2.19 -0.24 -0.31 0.00 0.00 175.10 176.53 3kvc n SER 173 N -0.01 4.18 -4.18 4.85 2.88 -1.26 -4.26 113.62 115.82 3kvc n SER 173 Ca -0.15 -2.88 -0.16 0.00 -1.33 0.00 0.00 58.87 54.35 3kvc n SER 173 Cb 0.62 -1.63 -0.11 0.00 -0.75 0.00 0.00 64.21 62.34 3kvc n SER 173 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3kvc s VAL 174 N 2.71 1.03 -0.07 2.46 -7.23 -1.26 -4.71 120.40 113.33 3kvc s VAL 174 Ca 0.46 -1.48 0.13 0.00 -1.81 0.00 0.00 61.98 59.28 3kvc s VAL 174 Cb 0.13 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 3kvc s VAL 174 CO -0.07 -0.40 1.19 0.78 -0.31 0.00 0.00 175.10 176.29 3kvc h ASN 175 N 3.90 0.00 -2.36 4.85 2.35 -1.33 -3.42 115.58 119.56 3kvc h ASN 175 Ca -0.39 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.40 3kvc h ASN 175 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 3kvc h ASN 175 CO 0.47 0.70 0.31 0.61 -1.65 0.00 0.00 177.43 177.86 3kvc n GLY 176 N 1.33 1.03 3.32 2.83 0.00 -1.26 -3.77 105.19 108.67 3kvc n GLY 176 Ca -0.03 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.82 -1.06 0.96 4.61 0.00 -1.16 -4.15 121.76 119.13 3kvc s ALA 177 Ca 0.14 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 3kvc s ALA 177 Cb -0.03 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 23.02 3kvc s ALA 177 CO 0.07 -0.26 1.09 0.95 0.00 0.00 0.00 175.76 177.61 3kvc s THR 178 N -0.73 2.35 -1.88 0.00 -4.23 -1.01 -4.02 115.64 106.11 3kvc s THR 178 Ca -0.08 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 60.64 3kvc s THR 178 Cb -0.04 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.55 3kvc s THR 178 CO 0.04 -0.15 1.23 0.00 -0.54 0.00 0.00 174.62 175.20 3kvc n ALA 179 N -4.09 2.51 -2.98 3.99 0.00 -1.24 -4.41 120.51 114.28 3kvc n ALA 179 Ca 0.06 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.65 3kvc n ALA 179 Cb 0.56 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 0.47 2.81 -1.76 0.00 8.25 -1.26 -4.71 115.22 119.02 3kvc n HIS 180 Ca 0.11 -3.87 -0.35 0.00 -0.26 0.00 0.00 57.72 53.35 3kvc n HIS 180 Cb 0.32 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.17 2.61 0.01 -0.41 0.04 -1.26 -4.67 135.00 128.15 3kvc s PRO 181 Ca 0.46 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 3kvc s PRO 181 Cb 0.31 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.91 3kvc s PRO 181 CO -0.12 -1.48 0.48 -1.01 0.04 0.00 0.00 177.00 174.91 3kvc s HIS 182 N -1.74 3.72 -0.22 0.56 3.76 -0.63 -4.95 115.29 115.79 3kvc s HIS 182 Ca 0.77 1.09 -0.02 0.00 -0.15 0.00 0.00 55.06 56.74 3kvc s HIS 182 Cb -0.30 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 30.97 3kvc s HIS 182 CO 0.39 0.54 -0.08 0.42 -0.85 0.00 0.00 174.74 175.16 3kvc s ILE 183 N -0.77 3.01 0.68 0.60 -1.09 -1.26 -1.28 121.20 121.08 3kvc s ILE 183 Ca 0.26 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.88 3kvc s ILE 183 Cb -0.17 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.32 3kvc s ILE 183 CO 0.15 0.40 1.06 -1.61 -1.23 0.00 0.00 174.94 173.71 3kvc s GLU 184 N 1.41 3.03 0.48 2.79 2.02 0.46 -4.91 118.70 123.98 3kvc s GLU 184 Ca 0.05 0.96 0.20 0.00 0.02 0.00 0.00 54.97 56.20 3kvc s GLU 184 Cb -0.14 -2.00 1.23 0.00 0.10 0.00 0.00 34.13 33.31 3kvc s GLU 184 CO -0.05 -1.03 1.98 -0.91 0.02 0.00 0.00 175.26 175.27 3kvc h ASN 185 N -0.58 0.17 0.22 -0.19 2.35 -1.92 0.14 115.58 115.78 3kvc h ASN 185 Ca -0.44 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3kvc h ASN 185 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3kvc h ASN 185 CO 0.57 0.10 0.00 -0.90 -1.65 0.00 0.00 177.43 175.55 3kvc n ASP 186 N -4.43 0.00 0.00 5.81 5.68 -1.26 -4.90 116.55 117.45 3kvc n ASP 186 Ca 0.10 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 3kvc n ASP 186 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 1.00 0.46 3.73 6.12 0.00 0.48 -4.63 105.19 112.34 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 2.41 0.00 0.00 0.00 173.32 175.73 3kvc n THR 188 N -2.00 0.88 -4.71 2.61 -1.04 -1.26 -4.43 114.28 104.34 3kvc n THR 188 Ca 0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.05 61.46 3kvc n THR 188 Cb 0.00 -1.88 -0.15 0.00 -1.82 0.00 0.00 70.33 66.48 3kvc n THR 188 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kvc s VAL 189 N 0.13 2.84 -0.02 12.58 1.01 0.13 -0.41 120.40 136.66 3kvc s VAL 189 Ca 0.66 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3kvc s VAL 189 Cb -0.53 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3kvc s VAL 189 CO 0.47 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.64 3kvc s TYR 190 N 0.54 2.69 0.27 5.22 1.51 -0.40 0.27 117.35 127.44 3kvc s TYR 190 Ca -0.09 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3kvc s TYR 190 Cb -0.16 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 3kvc s TYR 190 CO 0.04 0.22 0.31 1.21 -1.11 0.00 0.00 175.55 176.22 3kvc s ASN 191 N -0.95 0.57 0.02 2.29 3.84 -0.15 -1.61 114.94 118.95 3kvc s ASN 191 Ca 0.13 -1.39 0.02 0.00 0.21 0.00 0.00 52.86 51.83 3kvc s ASN 191 Cb -0.11 0.52 -0.01 0.00 -0.55 0.00 0.00 41.25 41.10 3kvc s ASN 191 CO 0.02 -1.05 -0.07 -0.51 -2.79 0.00 0.00 177.10 172.70 3kvc s ILE 192 N -3.74 0.55 0.03 -5.21 2.07 -1.26 -0.80 121.20 112.84 3kvc s ILE 192 Ca 0.34 -0.66 -0.19 0.00 -1.41 0.00 0.00 60.65 58.73 3kvc s ILE 192 Cb 0.03 -0.53 0.04 0.00 0.13 0.00 0.00 42.46 42.12 3kvc s ILE 192 CO 0.16 -0.09 0.44 -0.83 -1.91 0.00 0.00 174.94 172.71 3kvc s GLY 193 N -0.82 -0.31 0.66 1.50 0.00 -0.84 -2.42 107.32 105.10 3kvc s GLY 193 Ca -0.03 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.01 3kvc s GLY 193 CO 0.00 0.16 1.05 0.54 0.00 0.00 0.00 173.10 174.85 3kvc s ASN 194 N -1.86 5.82 0.31 1.64 2.20 -1.26 -0.77 114.94 121.02 3kvc s ASN 194 Ca -0.07 1.41 -0.19 0.00 -0.94 0.00 0.00 52.86 53.08 3kvc s ASN 194 Cb -0.01 -2.37 0.04 0.00 -2.00 0.00 0.00 41.25 36.92 3kvc s ASN 194 CO -0.01 -1.13 0.80 0.00 -2.94 0.00 0.00 177.10 173.82 3kvc n PHE 196 N -0.51 2.44 0.00 0.00 3.72 -1.26 -1.46 117.46 120.39 3kvc n PHE 196 Ca -0.06 -1.64 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 3kvc n PHE 196 Cb 0.60 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3kvc n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kvc n GLY 197 N -0.77 0.00 1.69 1.37 0.00 -1.26 -4.86 105.19 101.36 3kvc n GLY 197 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3kvc n GLY 197 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kvc n SER 201 N -0.02 -6.46 -4.76 1.61 2.88 -1.26 -4.74 113.62 100.88 3kvc n SER 201 Ca 0.00 1.15 -0.40 0.00 -1.33 0.00 0.00 58.87 58.29 3kvc n SER 201 Cb 0.00 -4.07 -0.05 0.00 -0.75 0.00 0.00 64.21 59.34 3kvc n SER 201 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3kvc s ILE 202 N -2.30 3.72 0.33 2.46 -1.09 -0.40 -5.00 121.20 118.92 3kvc s ILE 202 Ca 0.00 1.72 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 3kvc s ILE 202 Cb 0.00 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3kvc s ILE 202 CO 0.00 0.40 0.35 0.00 -1.23 0.00 0.00 174.94 174.46 3kvc s ALA 203 N -1.18 1.44 -0.10 9.38 0.00 -0.53 -3.88 121.76 126.88 3kvc s ALA 203 Ca 0.43 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.57 3kvc s ALA 203 Cb -0.29 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.18 3kvc s ALA 203 CO 0.37 -0.71 -0.23 0.71 0.00 0.00 0.00 175.76 175.90 3kvc s TYR 204 N -3.30 2.51 -0.11 0.00 1.51 -0.32 -0.72 117.35 116.92 3kvc s TYR 204 Ca 0.37 -1.05 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3kvc s TYR 204 Cb 0.01 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3kvc s TYR 204 CO 0.25 -0.43 -0.04 -0.80 -1.11 0.00 0.00 175.55 173.42 3kvc s ASN 205 N 0.41 4.88 -0.15 2.29 0.02 0.05 0.16 114.94 122.59 3kvc s ASN 205 Ca -0.18 -0.02 -0.19 0.00 -1.02 0.00 0.00 52.86 51.45 3kvc s ASN 205 Cb -0.18 -1.52 -0.04 0.00 0.02 0.00 0.00 41.25 39.54 3kvc s ASN 205 CO 0.08 0.28 0.52 -0.63 0.02 0.00 0.00 177.10 177.37 3kvc s ILE 206 N -0.31 5.13 -0.11 0.60 -1.09 -0.02 -1.99 121.20 123.42 3kvc s ILE 206 Ca 0.05 1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 59.46 3kvc s ILE 206 Cb -0.12 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3kvc s ILE 206 CO 0.02 0.25 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.28 3kvc s VAL 207 N 1.13 4.18 -0.12 2.92 1.01 0.02 -0.46 120.40 129.07 3kvc s VAL 207 Ca 0.26 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3kvc s VAL 207 Cb -0.15 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3kvc s VAL 207 CO 0.11 0.56 -0.18 -0.75 0.00 0.00 0.00 175.10 174.84 3kvc s LYS 208 N -0.46 3.19 -0.20 2.72 2.20 0.00 -0.97 119.74 126.21 3kvc s LYS 208 Ca 0.08 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 3kvc s LYS 208 Cb -0.12 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.70 3kvc s LYS 208 CO 0.02 0.14 -0.03 0.42 -0.36 0.00 0.00 175.35 175.54 3kvc s ILE 209 N 0.48 3.60 0.82 5.43 1.01 0.14 -2.00 121.20 130.68 3kvc s ILE 209 Ca -0.13 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3kvc s ILE 209 Cb -0.17 -2.62 0.08 0.00 0.01 0.00 0.00 42.46 39.76 3kvc s ILE 209 CO 0.05 0.43 1.09 -2.16 0.00 0.00 0.00 174.94 174.35 3kvc s PRO 210 N 1.19 1.88 0.93 2.79 0.04 -1.26 -0.69 135.00 139.88 3kvc s PRO 210 Ca 0.03 0.95 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 3kvc s PRO 210 Cb -0.14 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.67 3kvc s PRO 210 CO -0.00 -1.84 1.10 -2.14 0.04 0.00 0.00 177.00 174.15 3kvc s PRO 211 N -4.95 0.96 0.18 0.56 0.02 -1.26 -4.70 135.00 125.81 3kvc s PRO 211 Ca 0.62 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 62.44 3kvc s PRO 211 Cb -0.17 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 3kvc s PRO 211 CO 0.56 -2.53 1.73 -1.17 -0.33 0.00 0.00 177.00 175.25 3kvc s LEU 212 N -6.47 4.38 0.55 -5.54 2.96 -1.26 -4.90 118.68 108.39 3kvc s LEU 212 Ca 0.65 2.81 0.08 0.00 -0.22 0.00 0.00 54.13 57.45 3kvc s LEU 212 Cb -0.21 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 42.96 3kvc s LEU 212 CO 0.58 -0.96 0.75 -1.10 -1.32 0.00 0.00 176.35 174.30 3kvc s GLN 213 N 1.51 2.40 0.22 1.98 -1.52 -1.26 -4.98 119.66 118.01 3kvc s GLN 213 Ca 0.75 -1.48 -0.09 0.00 -1.95 0.00 0.00 55.36 52.60 3kvc s GLN 213 Cb -0.48 -2.65 0.22 0.00 -0.22 0.00 0.00 33.01 29.88 3kvc s GLN 213 CO 0.33 -0.75 1.86 0.00 -0.25 0.00 0.00 175.29 176.48 3kvc h ALA 214 N 0.24 1.02 -0.84 6.09 0.00 -1.99 -1.16 119.26 122.61 3kvc h ALA 214 Ca -0.33 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.70 3kvc h ALA 214 Cb 1.28 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3kvc h ALA 214 CO 0.42 0.30 0.55 0.38 0.00 0.00 0.00 179.25 180.90 3kvc h ASP 215 N 0.96 0.52 -0.19 0.00 3.04 -2.03 -3.46 116.42 115.26 3kvc h ASP 215 Ca 0.31 0.03 -0.06 0.00 -3.24 0.00 0.00 57.03 54.07 3kvc h ASP 215 Cb 0.01 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 38.21 3kvc h ASP 215 CO -0.11 0.26 -0.06 0.29 -2.04 0.00 0.00 179.24 177.58 3kvc n LYS 216 N -4.52 -0.22 -1.60 4.15 4.76 -0.44 -5.03 118.16 115.26 3kvc n LYS 216 Ca 0.17 0.54 -0.31 0.00 -2.87 0.00 0.00 58.31 55.83 3kvc n LYS 216 Cb 0.52 -4.18 0.05 0.00 -1.84 0.00 0.00 35.03 29.59 3kvc n LYS 216 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kvc s GLU 217 N -2.55 2.91 -0.10 1.97 -1.05 -1.26 -4.89 118.70 113.72 3kvc s GLU 217 Ca 0.00 1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 55.53 3kvc s GLU 217 Cb 0.00 -1.98 -0.08 0.00 -0.44 0.00 0.00 34.13 31.62 3kvc s GLU 217 CO 0.00 -1.12 2.06 -3.47 0.95 0.00 0.00 175.26 173.68 3kvc n ASP 218 N -3.02 3.61 -0.07 0.83 -0.08 -1.26 -4.73 116.55 111.83 3kvc n ASP 218 Ca 0.08 0.63 0.18 0.00 -1.51 0.00 0.00 54.79 54.17 3kvc n ASP 218 Cb 0.53 -1.50 0.61 0.00 2.34 0.00 0.00 41.12 43.11 3kvc n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kvc h PRO 219 N 12.09 0.17 -0.26 -0.67 0.11 -1.90 -0.72 132.00 140.82 3kvc h PRO 219 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3kvc h PRO 219 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kvc h PRO 219 CO 0.95 0.11 0.08 0.82 -0.21 0.00 0.00 178.00 179.76 3kvc h ILE 220 N 0.17 1.12 0.00 4.15 2.04 -1.90 0.10 117.51 123.19 3kvc h ILE 220 Ca 0.30 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kvc h ILE 220 Cb 0.93 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3kvc h ILE 220 CO -0.05 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.70 3kvc n SER 221 N -4.41 0.40 -1.01 1.72 3.41 -0.28 -2.19 113.62 111.27 3kvc n SER 221 Ca 0.01 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3kvc n SER 221 Cb 0.14 -0.70 0.25 0.00 -0.26 0.00 0.00 64.21 63.64 3kvc n SER 221 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kvc n LYS 222 N -1.97 3.13 -1.91 4.33 4.76 0.34 -5.02 118.16 121.83 3kvc n LYS 222 Ca 0.01 -2.53 -0.39 0.00 -2.87 0.00 0.00 58.31 52.54 3kvc n LYS 222 Cb 0.15 -1.61 0.02 0.00 -1.84 0.00 0.00 35.03 31.74 3kvc n LYS 222 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kvc s SER 223 N -1.23 5.76 0.08 4.39 0.01 -0.93 -4.61 113.70 117.16 3kvc s SER 223 Ca 0.37 2.72 -0.08 0.00 1.31 0.00 0.00 55.95 60.27 3kvc s SER 223 Cb 0.24 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 3kvc s SER 223 CO 0.17 -1.23 0.17 -1.83 0.41 0.00 0.00 173.24 170.93 3kvc s GLU 224 N -2.63 0.79 -0.28 12.44 -1.05 -0.84 -4.87 118.70 122.25 3kvc s GLU 224 Ca 0.65 -0.92 -0.24 0.00 -0.15 0.00 0.00 54.97 54.31 3kvc s GLU 224 Cb -0.39 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 3kvc s GLU 224 CO 0.48 -0.24 0.83 0.42 0.95 0.00 0.00 175.26 177.71 3kvc s ILE 225 N -3.60 4.78 -0.10 1.83 -1.09 -1.26 -0.82 121.20 120.93 3kvc s ILE 225 Ca 0.03 1.39 -0.28 0.00 -2.23 0.00 0.00 60.65 59.56 3kvc s ILE 225 Cb 0.04 -4.16 -0.24 0.00 -1.58 0.00 0.00 42.46 36.51 3kvc s ILE 225 CO -0.10 -0.21 0.92 0.58 -1.23 0.00 0.00 174.94 174.91 3kvc h VAL 226 N 5.55 1.67 -2.96 2.92 2.07 -1.12 -3.48 116.25 120.90 3kvc h VAL 226 Ca -0.23 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 3kvc h VAL 226 Cb 1.09 3.02 -0.12 0.00 -1.52 0.00 0.00 31.29 33.76 3kvc h VAL 226 CO 0.90 0.52 0.22 0.54 0.02 0.00 0.00 177.57 179.77 3kvc s VAL 227 N -2.85 0.00 -0.04 2.57 0.11 -1.25 -4.77 120.40 114.17 3kvc s VAL 227 Ca -0.18 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.94 3kvc s VAL 227 Cb -0.02 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3kvc s VAL 227 CO 0.69 0.00 -0.25 -1.58 -3.33 0.00 0.00 175.10 170.63 3kvc s GLN 228 N -3.71 2.34 -0.13 1.54 0.74 -1.26 -0.84 119.66 118.35 3kvc s GLN 228 Ca 0.01 -0.90 -0.07 0.00 0.05 0.00 0.00 55.36 54.46 3kvc s GLN 228 Cb -0.01 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 3kvc s GLN 228 CO -0.13 0.44 0.11 -0.06 -0.55 0.00 0.00 175.29 175.10 3kvc s PHE 229 N -0.32 3.49 0.75 1.67 0.08 0.12 -4.68 117.98 119.10 3kvc s PHE 229 Ca 0.01 0.42 -0.12 0.00 0.12 0.00 0.00 56.93 57.36 3kvc s PHE 229 Cb -0.12 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 3kvc s PHE 229 CO 0.02 0.60 1.12 -1.25 -0.10 0.00 0.00 175.22 175.61 3kvc s PRO 230 N -0.74 2.23 -0.05 0.24 0.04 -1.26 -1.17 135.00 134.29 3kvc s PRO 230 Ca 0.13 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 3kvc s PRO 230 Cb -0.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3kvc s PRO 230 CO 0.03 -1.69 0.10 0.00 0.04 0.00 0.00 177.00 175.48 3kvc h SER 232 N 4.45 0.00 -3.26 0.00 4.64 -1.92 -3.41 113.55 114.06 3kvc h SER 232 Ca -0.51 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.29 3kvc h SER 232 Cb 1.20 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.93 3kvc h SER 232 CO 0.61 0.11 -0.81 -0.62 -0.87 0.00 0.00 176.83 175.25 3kvc s ASP 233 N -5.95 2.04 0.33 4.97 -1.08 -1.26 -5.04 116.67 110.68 3kvc s ASP 233 Ca -0.01 -0.30 0.12 0.00 -0.52 0.00 0.00 52.55 51.84 3kvc s ASP 233 Cb 0.11 -0.84 1.00 0.00 -1.46 0.00 0.00 42.92 41.73 3kvc s ASP 233 CO 0.58 -0.07 1.68 -0.09 0.52 0.00 0.00 175.17 177.78 3kvc h ARG 234 N 7.79 0.37 -0.14 4.34 2.43 -1.91 -2.68 114.38 124.57 3kvc h ARG 234 Ca -0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3kvc h ARG 234 Cb 1.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3kvc h ARG 234 CO 0.43 0.24 0.00 1.19 -1.51 0.00 0.00 179.97 180.33 3kvc n PHE 235 N -5.03 0.19 -3.63 2.20 3.72 -1.26 -1.28 117.46 112.37 3kvc n PHE 235 Ca 0.29 -0.37 -0.29 0.00 -0.05 0.00 0.00 57.45 57.04 3kvc n PHE 235 Cb 0.89 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.87 0.38 0.52 -1.08 1.02 -1.01 -4.90 119.74 113.80 3kvc s LYS 236 Ca 0.11 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.34 3kvc s LYS 236 Cb 0.06 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.68 3kvc s LYS 236 CO 0.08 -0.90 1.03 -1.25 -0.92 0.00 0.00 175.35 173.40 3kvc s PRO 237 N 1.94 3.69 0.52 -1.68 0.04 -1.26 -4.27 135.00 133.98 3kvc s PRO 237 Ca 0.06 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 3kvc s PRO 237 Cb -0.16 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 3kvc s PRO 237 CO -0.25 -0.51 1.03 -1.12 0.04 0.00 0.00 177.00 176.19 3kvc s SER 238 N -2.46 6.25 0.19 6.66 0.01 -1.26 -1.35 113.70 121.75 3kvc s SER 238 Ca 0.64 1.82 -0.32 0.00 1.31 0.00 0.00 55.95 59.40 3kvc s SER 238 Cb -0.15 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.43 3kvc s SER 238 CO 0.27 -0.84 1.64 -0.47 0.41 0.00 0.00 173.24 174.25 3kvc s TYR 239 N -2.25 2.97 -0.11 2.43 5.04 0.60 -4.85 117.35 121.19 3kvc s TYR 239 Ca 0.64 0.50 -0.00 0.00 -2.44 0.00 0.00 57.07 55.77 3kvc s TYR 239 Cb -0.15 -4.04 0.02 0.00 0.35 0.00 0.00 41.96 38.15 3kvc s TYR 239 CO 0.27 -3.86 -0.09 0.08 -1.34 0.00 0.00 175.55 170.60 3kvc s VAL 240 N 1.10 1.10 -0.14 3.14 1.01 -1.26 -4.72 120.40 120.63 3kvc s VAL 240 Ca 0.72 -0.35 0.16 0.00 0.00 0.00 0.00 61.98 62.51 3kvc s VAL 240 Cb -0.47 -1.10 -0.22 0.00 0.00 0.00 0.00 36.38 34.59 3kvc s VAL 240 CO 0.32 0.38 0.12 1.57 0.00 0.00 0.00 175.10 177.50 3kvc n HIS 241 N 4.78 0.00 -3.82 5.22 -0.00 -1.26 -4.77 115.22 115.37 3kvc n HIS 241 Ca -0.14 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.96 3kvc n HIS 241 Cb 0.50 -0.76 0.02 0.00 -0.12 0.00 0.00 29.99 29.63 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 -4.91 -0.04 0.26 0.26 1.04 -1.23 -4.24 113.70 104.84 3kvc s SER 242 Ca -0.08 -0.97 -0.22 0.00 0.48 0.00 0.00 55.95 55.16 3kvc s SER 242 Cb 0.06 0.77 0.03 0.00 0.10 0.00 0.00 66.02 66.98 3kvc s SER 242 CO 0.71 -1.51 0.75 0.72 0.98 0.00 0.00 173.24 174.88 3kvc s PHE 243 N -2.55 -0.19 0.13 5.02 -0.71 -1.26 -4.79 117.98 113.62 3kvc s PHE 243 Ca 0.16 -0.24 0.05 0.00 -1.04 0.00 0.00 56.93 55.86 3kvc s PHE 243 Cb -0.05 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 3kvc s PHE 243 CO 0.10 -1.17 0.06 0.20 -1.34 0.00 0.00 175.22 173.06 3kvc s GLY 244 N -2.92 1.83 -0.08 1.99 0.00 0.29 -4.83 107.32 103.61 3kvc s GLY 244 Ca 0.11 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 3kvc s GLY 244 CO 0.06 -1.18 0.19 -2.27 0.00 0.00 0.00 173.10 169.90 3kvc s LEU 245 N -2.72 0.99 0.45 0.66 2.96 -1.26 -0.61 118.68 119.14 3kvc s LEU 245 Ca 0.28 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3kvc s LEU 245 Cb -0.11 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 3kvc s LEU 245 CO 0.21 -0.10 0.05 0.42 -1.32 0.00 0.00 176.35 175.61 3kvc s THR 246 N 0.54 1.05 0.34 3.68 -4.23 0.20 -3.89 115.64 113.32 3kvc s THR 246 Ca -0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3kvc s THR 246 Cb -0.05 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.68 3kvc s THR 246 CO -0.03 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.40 3kvc h PRO 247 N 1.62 0.88 -0.00 3.99 0.11 -1.94 -3.26 132.00 133.41 3kvc h PRO 247 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kvc h PRO 247 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kvc h PRO 247 CO 0.68 0.58 -0.55 0.09 -0.21 0.00 0.00 178.00 178.60 3kvc n ASN 248 N -4.44 0.71 -4.02 -2.05 3.02 -1.26 -4.76 115.26 102.46 3kvc n ASN 248 Ca 0.08 -0.85 -0.08 0.00 -0.03 0.00 0.00 54.58 53.69 3kvc n ASN 248 Cb 0.06 0.93 -0.10 0.00 -0.61 0.00 0.00 39.78 40.06 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 -2.11 0.38 -0.09 3.10 2.02 -1.23 -1.06 117.35 118.36 3kvc s TYR 249 Ca 0.06 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 3kvc s TYR 249 Cb 0.10 -0.28 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 3kvc s TYR 249 CO 0.49 -0.34 -0.20 0.42 -1.57 0.00 0.00 175.55 174.35 3kvc s ILE 250 N -3.06 2.44 -0.11 2.71 1.01 -0.31 -0.63 121.20 123.25 3kvc s ILE 250 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3kvc s ILE 250 Cb 0.02 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 3kvc s ILE 250 CO -0.07 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 3kvc s VAL 251 N 0.07 2.29 -0.06 2.92 1.01 0.22 -1.50 120.40 125.36 3kvc s VAL 251 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3kvc s VAL 251 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3kvc s VAL 251 CO 0.06 0.55 -0.16 0.12 0.00 0.00 0.00 175.10 175.67 3kvc s PHE 252 N 0.32 1.73 -0.24 5.22 5.36 -0.42 -0.55 117.98 129.41 3kvc s PHE 252 Ca -0.17 -0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 55.17 3kvc s PHE 252 Cb -0.17 -1.20 0.01 0.00 -0.34 0.00 0.00 43.02 41.31 3kvc s PHE 252 CO 0.08 -0.26 -0.05 0.08 -1.46 0.00 0.00 175.22 173.62 3kvc s VAL 253 N 0.37 3.12 -0.48 3.12 1.01 -1.26 -1.13 120.40 125.14 3kvc s VAL 253 Ca -0.11 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3kvc s VAL 253 Cb -0.14 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.80 3kvc s VAL 253 CO 0.04 0.27 0.40 -0.70 0.00 0.00 0.00 175.10 175.12 3kvc s GLU 254 N 1.39 2.92 0.63 2.72 2.12 0.19 -4.97 118.70 123.70 3kvc s GLU 254 Ca 0.02 -1.47 -0.02 0.00 0.36 0.00 0.00 54.97 53.87 3kvc s GLU 254 Cb -0.16 -4.13 0.06 0.00 0.26 0.00 0.00 34.13 30.16 3kvc s GLU 254 CO -0.04 -1.10 0.89 0.95 -0.54 0.00 0.00 175.26 175.42 3kvc s THR 255 N 1.60 2.47 -2.00 -1.70 -4.23 -1.26 -1.48 115.64 109.03 3kvc s THR 255 Ca 0.04 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 3kvc s THR 255 Cb -0.26 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 70.87 3kvc s THR 255 CO 0.05 0.00 1.26 -0.81 -0.54 0.00 0.00 174.62 174.58 3kvc n PRO 256 N -2.61 0.93 -2.77 3.99 -0.04 -1.24 -4.66 135.00 128.60 3kvc n PRO 256 Ca 0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 3kvc n PRO 256 Cb 0.60 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 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 -2.00 4.33 0.10 0.52 1.01 -1.26 -0.47 120.40 122.63 3kvc s VAL 257 Ca 0.13 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.77 3kvc s VAL 257 Cb 0.06 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3kvc s VAL 257 CO 0.10 -1.06 -0.04 -0.54 0.00 0.00 0.00 175.10 173.55 3kvc s LYS 258 N 4.11 2.36 -0.21 2.72 -0.14 0.52 -0.29 119.74 128.80 3kvc s LYS 258 Ca 0.36 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 53.96 3kvc s LYS 258 Cb -0.10 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 3kvc s LYS 258 CO 0.24 0.52 0.11 0.42 -0.76 0.00 0.00 175.35 175.88 3kvc s ILE 259 N -1.27 4.99 0.00 2.17 1.01 -0.45 -0.78 121.20 126.86 3kvc s ILE 259 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3kvc s ILE 259 Cb -0.11 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3kvc s ILE 259 CO 0.16 0.40 0.00 -3.20 0.00 0.00 0.00 174.94 172.30 3kvc n ASN 260 N 4.01 0.00 -1.21 3.58 2.85 -0.13 -4.05 115.26 120.32 3kvc n ASN 260 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 3kvc n ASN 260 Cb 0.52 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.33 3kvc n ASN 260 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kvc n GLY 272 N 2.31 0.00 3.77 8.20 0.00 -1.26 -4.91 105.19 113.31 3kvc n GLY 272 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kvc n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvc s ALA 273 N 0.47 3.54 0.32 4.61 0.00 -1.26 -4.95 121.76 124.49 3kvc s ALA 273 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3kvc s ALA 273 Cb 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.67 3kvc s ALA 273 CO 0.00 0.72 0.20 0.27 0.00 0.00 0.00 175.76 176.95 3kvc n ASN 274 N 0.78 2.21 -0.10 0.00 0.23 -1.26 -4.83 115.26 112.29 3kvc n ASN 274 Ca -0.11 -2.17 -0.14 0.00 -0.53 0.00 0.00 54.58 51.64 3kvc n ASN 274 Cb 0.52 0.02 -0.04 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.71 0.95 -0.90 -2.53 -1.99 -1.27 -3.07 116.97 108.87 3kvc h TYR 275 Ca -0.22 -0.30 0.14 0.00 2.00 0.00 0.00 58.73 60.35 3kvc h TYR 275 Cb 0.76 -0.20 -0.07 0.00 2.00 0.00 0.00 36.73 39.22 3kvc h TYR 275 CO 0.00 1.08 0.58 1.98 -0.00 0.00 0.00 178.16 181.80 3kvc h MET 276 N 0.55 0.71 0.00 4.88 4.05 -1.73 -0.15 114.93 123.24 3kvc h MET 276 Ca 0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kvc h MET 276 Cb 0.94 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 3kvc h MET 276 CO 0.09 0.47 0.00 -0.44 0.23 0.00 0.00 176.91 177.25 3kvc h ASP 277 N 0.73 0.00 1.18 1.39 3.32 -1.83 -2.08 116.42 119.13 3kvc h ASP 277 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3kvc h ASP 277 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3kvc h ASP 277 CO -0.21 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.04 3kvc s PHE 279 N -3.12 3.52 0.14 0.00 0.40 -0.78 -0.95 117.98 117.18 3kvc s PHE 279 Ca 0.09 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.81 3kvc s PHE 279 Cb 0.13 -2.74 0.01 0.00 0.51 0.00 0.00 43.02 40.93 3kvc s PHE 279 CO 0.65 0.14 0.33 -1.83 0.70 0.00 0.00 175.22 175.21 3kvc s GLU 280 N -2.52 1.11 -0.14 0.44 -1.05 0.04 -4.93 118.70 111.64 3kvc s GLU 280 Ca 0.52 -0.96 -0.04 0.00 -0.15 0.00 0.00 54.97 54.35 3kvc s GLU 280 Cb -0.14 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 3kvc s GLU 280 CO 0.19 -0.42 -0.02 -1.12 0.95 0.00 0.00 175.26 174.85 3kvc s SER 281 N -2.89 5.01 -0.25 0.83 0.01 -1.26 -0.36 113.70 114.79 3kvc s SER 281 Ca 0.09 -0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 3kvc s SER 281 Cb 0.02 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 3kvc s SER 281 CO -0.06 0.22 0.62 0.21 0.41 0.00 0.00 173.24 174.64 3kvc s ASN 282 N 0.05 6.58 0.34 2.44 3.84 0.38 -4.96 114.94 123.62 3kvc s ASN 282 Ca 0.01 0.71 0.22 0.00 0.21 0.00 0.00 52.86 54.01 3kvc s ASN 282 Cb -0.13 -2.33 0.20 0.00 -0.55 0.00 0.00 41.25 38.43 3kvc s ASN 282 CO 0.02 -0.35 1.41 -0.33 -2.79 0.00 0.00 177.10 175.06 3kvc h GLU 283 N 7.85 0.00 0.00 0.43 5.08 -1.98 -3.37 114.58 122.59 3kvc h GLU 283 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3kvc h GLU 283 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3kvc h GLU 283 CO 0.77 0.07 -1.44 0.25 -1.00 0.00 0.00 179.01 177.66 3kvc n THR 284 N -3.00 0.00 0.15 1.13 -2.24 -1.26 -4.68 114.28 104.38 3kvc n THR 284 Ca 0.02 -0.29 0.02 0.00 -2.27 0.00 0.00 64.05 61.54 3kvc n THR 284 Cb 0.57 0.33 0.13 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3kvc h MET 285 CO 0.00 0.52 0.00 0.41 -0.00 0.00 0.00 176.91 177.84 3kvc n GLY 286 N 0.83 0.77 3.42 -3.00 0.00 -1.26 -4.64 105.19 101.29 3kvc n GLY 286 Ca 0.01 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 3.14 -0.15 1.61 1.01 -0.30 -3.71 120.40 122.00 3kvc s VAL 287 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3kvc s VAL 287 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3kvc s VAL 287 CO 0.00 0.54 0.01 0.26 0.00 0.00 0.00 175.10 175.92 3kvc s TRP 288 N 0.01 3.15 -0.02 5.22 0.52 -0.55 -1.10 118.94 126.17 3kvc s TRP 288 Ca -0.04 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.07 3kvc s TRP 288 Cb -0.14 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 3kvc s TRP 288 CO 0.04 0.15 -0.10 -0.51 0.02 0.00 0.00 176.95 176.56 3kvc s LEU 289 N 0.10 3.02 -0.01 2.99 1.02 -0.60 -0.64 118.68 124.57 3kvc s LEU 289 Ca 0.02 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.04 3kvc s LEU 289 Cb -0.13 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 3kvc s LEU 289 CO 0.02 0.31 -0.11 -1.00 0.02 0.00 0.00 176.35 175.59 3kvc s HIS 290 N -0.90 0.97 0.06 0.29 3.76 -0.28 -3.66 115.29 115.53 3kvc s HIS 290 Ca 0.15 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 54.93 3kvc s HIS 290 Cb -0.11 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 3kvc s HIS 290 CO 0.05 -0.01 -0.18 0.96 -0.85 0.00 0.00 174.74 174.70 3kvc s ILE 291 N -0.29 1.44 0.04 0.60 -4.36 -1.26 -1.30 121.20 116.07 3kvc s ILE 291 Ca 0.04 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.24 3kvc s ILE 291 Cb -0.04 -1.30 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3kvc s ILE 291 CO -0.00 0.03 -0.14 0.00 0.24 0.00 0.00 174.94 175.06 3kvc s ALA 292 N -0.96 1.18 -0.31 2.27 0.00 -0.56 -1.64 121.76 121.75 3kvc s ALA 292 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 3kvc s ALA 292 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3kvc s ALA 292 CO 0.02 0.22 1.29 0.34 0.00 0.00 0.00 175.76 177.63 3kvc s ASP 293 N -1.14 6.68 0.13 0.00 -1.08 0.15 -1.16 116.67 120.25 3kvc s ASP 293 Ca 0.02 1.18 -0.15 0.00 -0.52 0.00 0.00 52.55 53.08 3kvc s ASP 293 Cb -0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 3kvc s ASP 293 CO 0.01 -1.08 1.64 0.50 0.52 0.00 0.00 175.17 176.76 3kvc h LYS 294 N 9.26 0.69 0.08 4.34 3.64 -1.40 -0.97 116.57 132.20 3kvc h LYS 294 Ca -0.26 -0.16 -0.28 0.00 -1.27 0.00 0.00 60.65 58.68 3kvc h LYS 294 Cb 1.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3kvc h LYS 294 CO 1.04 0.69 -1.39 0.87 -2.27 0.00 0.00 179.45 178.39 3kvc h LYS 295 N 0.56 0.17 -0.00 1.90 1.57 -1.86 -3.17 116.57 115.74 3kvc h LYS 295 Ca 0.14 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kvc h LYS 295 Cb 0.31 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kvc h LYS 295 CO 0.00 1.04 -0.24 0.54 -0.57 0.00 0.00 179.45 180.22 3kvc n ARG 296 N -3.40 0.62 -3.60 3.15 1.74 -1.24 -4.95 116.66 108.97 3kvc n ARG 296 Ca -0.12 -0.32 -0.21 0.00 -0.77 0.00 0.00 57.85 56.44 3kvc n ARG 296 Cb 1.02 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 31.01 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 -0.92 -4.39 -4.11 5.56 5.02 -0.41 -4.98 118.16 113.93 3kvc n LYS 297 Ca 0.11 0.66 -0.20 0.00 -2.02 0.00 0.00 58.31 56.87 3kvc n LYS 297 Cb 0.33 -5.23 -0.16 0.00 -0.02 0.00 0.00 35.03 29.94 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 -5.69 0.77 0.32 1.97 2.20 -0.95 -4.78 119.74 113.58 3kvc s LYS 298 Ca 0.11 -0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 3kvc s LYS 298 Cb -0.03 -0.82 -0.10 0.00 -1.51 0.00 0.00 37.83 35.37 3kvc s LYS 298 CO 0.80 -0.10 1.37 -0.47 -0.36 0.00 0.00 175.35 176.59 3kvc s TYR 299 N 1.01 2.95 -0.24 4.03 5.04 -1.26 -0.68 117.35 128.20 3kvc s TYR 299 Ca -0.10 1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.73 3kvc s TYR 299 Cb -0.14 -3.78 -0.03 0.00 0.35 0.00 0.00 41.96 38.35 3kvc s TYR 299 CO -0.01 -2.27 0.09 0.42 -1.34 0.00 0.00 175.55 172.44 3kvc s ILE 300 N -0.87 4.53 -1.39 3.14 1.01 -0.65 -4.89 121.20 122.08 3kvc s ILE 300 Ca 0.52 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 3kvc s ILE 300 Cb -0.42 -3.11 0.09 0.00 0.01 0.00 0.00 42.46 39.03 3kvc s ILE 300 CO 0.53 0.35 2.24 -3.20 0.00 0.00 0.00 174.94 174.85 3kvc n ASN 301 N 4.71 5.97 -4.41 3.58 5.15 -1.26 -4.50 115.26 124.50 3kvc n ASN 301 Ca -0.16 -2.97 -0.36 0.00 -0.60 0.00 0.00 54.58 50.49 3kvc n ASN 301 Cb 0.52 -1.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.13 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 1.54 4.99 -1.34 1.20 0.01 -1.26 -5.05 114.94 115.03 3kvc s ASN 302 Ca 0.49 -0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 52.18 3kvc s ASN 302 Cb 0.14 -1.89 0.10 0.00 0.41 0.00 0.00 41.25 40.01 3kvc s ASN 302 CO -0.05 -0.06 1.91 0.29 -1.51 0.00 0.00 177.10 177.68 3kvc n LYS 303 N 4.90 3.22 -2.52 -0.60 5.02 -1.26 -4.80 118.16 122.12 3kvc n LYS 303 Ca -0.16 -3.20 -0.41 0.00 -2.02 0.00 0.00 58.31 52.52 3kvc n LYS 303 Cb 0.51 -3.19 -0.04 0.00 -0.02 0.00 0.00 35.03 32.28 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 2.38 3.60 0.02 2.13 2.02 -1.24 -0.64 117.35 125.61 3kvc s TYR 304 Ca 0.46 1.60 -0.02 0.00 -0.37 0.00 0.00 57.07 58.74 3kvc s TYR 304 Cb 0.08 -3.27 -0.01 0.00 -0.40 0.00 0.00 41.96 38.36 3kvc s TYR 304 CO -0.01 -0.59 0.02 1.03 -1.57 0.00 0.00 175.55 174.43 3kvc s ARG 305 N -0.35 0.36 0.23 -0.62 1.81 -0.39 -1.55 118.95 118.44 3kvc s ARG 305 Ca 0.49 -0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 53.87 3kvc s ARG 305 Cb -0.29 0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.38 3kvc s ARG 305 CO 0.35 -0.07 0.45 -2.37 -0.68 0.00 0.00 175.30 172.98 3kvc n THR 306 N 1.55 0.00 -1.60 0.02 5.66 -0.26 -0.71 114.28 118.94 3kvc n THR 306 Ca -0.24 -0.62 -0.30 0.00 -3.05 0.00 0.00 64.05 59.84 3kvc n THR 306 Cb 0.55 0.59 0.09 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.22 4.52 0.22 1.09 1.04 -1.26 -1.15 113.70 115.94 3kvc s SER 307 Ca 0.10 1.24 -0.30 0.00 0.48 0.00 0.00 55.95 57.47 3kvc s SER 307 Cb -0.03 -1.97 -0.09 0.00 0.10 0.00 0.00 66.02 64.03 3kvc s SER 307 CO 0.07 -1.94 1.36 -2.16 0.98 0.00 0.00 173.24 171.55 3kvc s PRO 308 N -5.20 4.34 0.10 4.02 0.04 -1.26 -3.63 135.00 133.41 3kvc s PRO 308 Ca 0.61 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 3kvc s PRO 308 Cb -0.14 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3kvc s PRO 308 CO 0.54 -0.31 0.33 -0.59 0.04 0.00 0.00 177.00 177.01 3kvc s PHE 309 N 0.03 -0.10 0.35 0.56 -0.12 -1.22 -2.66 117.98 114.82 3kvc s PHE 309 Ca 0.57 -0.21 -0.14 0.00 -0.05 0.00 0.00 56.93 57.11 3kvc s PHE 309 Cb -0.39 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.07 3kvc s PHE 309 CO 0.40 -0.62 0.75 -0.80 -0.05 0.00 0.00 175.22 174.90 3kvc s ASN 310 N -2.68 6.69 -0.07 1.98 0.02 -0.15 -4.36 114.94 116.37 3kvc s ASN 310 Ca 0.02 1.24 -0.03 0.00 -1.02 0.00 0.00 52.86 53.07 3kvc s ASN 310 Cb 0.02 -2.36 0.04 0.00 0.02 0.00 0.00 41.25 38.97 3kvc s ASN 310 CO -0.10 -0.27 0.14 -0.22 0.02 0.00 0.00 177.10 176.67 3kvc s LEU 311 N -3.28 0.52 -0.17 0.60 2.96 -1.26 -1.37 118.68 116.68 3kvc s LEU 311 Ca 0.53 0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.64 3kvc s LEU 311 Cb -0.10 0.30 -0.07 0.00 0.50 0.00 0.00 46.19 46.81 3kvc s LEU 311 CO 0.22 -0.17 -0.22 0.49 -1.32 0.00 0.00 176.35 175.34 3kvc n PHE 312 N 4.52 0.00 -4.06 5.38 3.72 -1.26 -4.57 117.46 121.19 3kvc n PHE 312 Ca -0.20 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.88 3kvc n PHE 312 Cb 0.51 -0.62 -0.16 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.32 2.59 0.43 1.38 3.76 -1.26 -3.47 115.29 116.41 3kvc s HIS 313 Ca -0.24 -1.58 -0.25 0.00 -0.15 0.00 0.00 55.06 52.84 3kvc s HIS 313 Cb 0.09 -1.78 -0.08 0.00 1.11 0.00 0.00 32.58 31.93 3kvc s HIS 313 CO 0.30 -0.76 1.28 -1.01 -0.85 0.00 0.00 174.74 173.70 3kvc s HIS 314 N 1.35 2.77 -0.14 1.40 3.76 -1.26 -1.38 115.29 121.78 3kvc s HIS 314 Ca 0.03 1.44 -0.10 0.00 -0.15 0.00 0.00 55.06 56.27 3kvc s HIS 314 Cb -0.14 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 29.90 3kvc s HIS 314 CO -0.11 -2.05 -0.20 -0.89 -0.85 0.00 0.00 174.74 170.64 3kvc n ILE 315 N -0.15 1.37 -3.67 0.60 5.41 0.77 -4.87 119.36 118.82 3kvc n ILE 315 Ca 0.05 0.22 -0.09 0.00 1.00 0.00 0.00 62.75 63.93 3kvc n ILE 315 Cb 0.45 -2.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.01 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 -5.67 -0.38 -0.06 4.38 2.47 -1.20 -4.78 114.94 109.70 3kvc s ASN 316 Ca -0.17 -0.36 -0.04 0.00 0.42 0.00 0.00 52.86 52.72 3kvc s ASN 316 Cb 0.02 0.65 0.03 0.00 -1.45 0.00 0.00 41.25 40.50 3kvc s ASN 316 CO 0.25 -1.15 0.14 -0.89 -3.72 0.00 0.00 177.10 171.73 3kvc s THR 317 N -3.85 -0.03 0.26 -5.21 2.01 -1.26 -1.24 115.64 106.33 3kvc s THR 317 Ca 0.07 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 3kvc s THR 317 Cb -0.03 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.26 3kvc s THR 317 CO -0.02 0.04 0.54 -0.72 -0.69 0.00 0.00 174.62 173.77 3kvc s TYR 318 N 0.70 0.24 -0.16 4.92 -0.85 -0.58 -3.20 117.35 118.43 3kvc s TYR 318 Ca -0.05 -0.63 -0.08 0.00 -0.52 0.00 0.00 57.07 55.79 3kvc s TYR 318 Cb -0.07 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3kvc s TYR 318 CO -0.03 -1.07 0.10 -1.21 -1.52 0.00 0.00 175.55 171.82 3kvc s GLU 319 N -3.93 3.78 -0.20 -3.49 2.02 -1.26 -0.41 118.70 115.21 3kvc s GLU 319 Ca 0.20 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 3kvc s GLU 319 Cb -0.02 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 31.05 3kvc s GLU 319 CO 0.09 0.48 0.12 0.34 0.02 0.00 0.00 175.26 176.32 3kvc s ASP 320 N -0.20 2.32 0.78 -0.19 -1.08 -0.17 -4.75 116.67 113.39 3kvc s ASP 320 Ca 0.09 -0.64 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 3kvc s ASP 320 Cb -0.12 -0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.22 3kvc s ASP 320 CO 0.01 -0.36 0.00 1.41 0.52 0.00 0.00 175.17 176.75 3kvc n HIS 321 N 5.28 0.00 -1.05 -5.34 8.25 -1.26 -1.21 115.22 119.90 3kvc n HIS 321 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 3kvc n HIS 321 Cb 0.48 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.76 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 2.17 -4.43 -0.41 -0.58 -1.26 -4.90 120.64 125.23 3kvc n GLU 322 Ca 0.00 -2.77 -0.30 0.00 -0.42 0.00 0.00 57.16 53.68 3kvc n GLU 322 Cb 0.00 -2.09 -0.12 0.00 -0.57 0.00 0.00 31.44 28.66 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 -3.03 2.47 -0.17 -0.32 0.40 -0.35 -1.33 117.98 115.65 3kvc s PHE 323 Ca 0.52 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 3kvc s PHE 323 Cb 0.44 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 3kvc s PHE 323 CO 0.10 0.33 0.22 -0.51 0.70 0.00 0.00 175.22 176.07 3kvc s LEU 324 N -1.93 4.24 -0.27 -0.37 1.43 -0.18 -1.00 118.68 120.60 3kvc s LEU 324 Ca 0.16 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 3kvc s LEU 324 Cb -0.10 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3kvc s LEU 324 CO 0.08 0.15 0.29 -0.63 0.23 0.00 0.00 176.35 176.46 3kvc s ILE 325 N 0.34 5.24 -0.32 -0.59 -1.09 0.45 -0.76 121.20 124.47 3kvc s ILE 325 Ca 0.13 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 3kvc s ILE 325 Cb -0.12 -3.62 0.09 0.00 -1.58 0.00 0.00 42.46 37.23 3kvc s ILE 325 CO 0.02 0.21 0.02 -0.69 -1.23 0.00 0.00 174.94 173.27 3kvc s VAL 326 N 1.86 2.11 -0.22 2.92 1.01 0.42 -1.52 120.40 126.97 3kvc s VAL 326 Ca 0.11 -2.09 -0.12 0.00 0.00 0.00 0.00 61.98 59.88 3kvc s VAL 326 Cb -0.16 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3kvc s VAL 326 CO 0.10 -0.48 0.21 -1.81 0.00 0.00 0.00 175.10 173.12 3kvc s ASP 327 N 1.02 6.21 0.03 3.32 1.01 -0.37 -1.27 116.67 126.62 3kvc s ASP 327 Ca 0.07 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.58 3kvc s ASP 327 Cb -0.19 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3kvc s ASP 327 CO -0.09 0.06 -0.08 -0.76 0.21 0.00 0.00 175.17 174.52 3kvc s LEU 328 N 0.96 2.16 -0.47 1.23 1.43 -0.26 -0.16 118.68 123.56 3kvc s LEU 328 Ca 0.10 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 3kvc s LEU 328 Cb -0.13 -0.25 0.04 0.00 0.03 0.00 0.00 46.19 45.88 3kvc s LEU 328 CO 0.04 -0.08 0.66 0.00 0.23 0.00 0.00 176.35 177.19 3kvc s TRP 331 N -2.09 1.66 -0.34 0.00 0.52 -0.47 -0.96 118.94 117.24 3kvc s TRP 331 Ca 0.35 -1.30 -0.28 0.00 0.02 0.00 0.00 56.10 54.89 3kvc s TRP 331 Cb -0.08 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.91 3kvc s TRP 331 CO 0.27 -0.70 1.79 0.15 0.02 0.00 0.00 176.95 178.49 3kvc s LYS 332 N 1.64 3.32 0.00 4.98 1.02 0.78 -0.98 119.74 130.51 3kvc s LYS 332 Ca -0.02 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.35 3kvc s LYS 332 Cb -0.18 -4.20 0.00 0.00 -0.52 0.00 0.00 37.83 32.93 3kvc s LYS 332 CO -0.08 -1.88 0.00 0.41 -0.92 0.00 0.00 175.35 172.88 3kvc n GLY 333 N 5.42 2.23 0.00 -3.33 0.00 -1.09 -3.32 105.19 105.10 3kvc n GLY 333 Ca 0.23 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.90 0.00 -1.73 1.61 1.16 -1.26 -2.85 117.46 112.49 3kvc n PHE 334 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 3kvc n PHE 334 Cb 0.00 -0.12 -0.01 0.00 -1.61 0.00 0.00 39.48 37.74 3kvc n PHE 334 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3kvc n GLU 335 N -1.60 2.47 -2.01 3.97 2.13 -1.26 -4.67 120.64 119.68 3kvc n GLU 335 Ca 0.01 0.87 -0.43 0.00 0.66 0.00 0.00 57.16 58.28 3kvc n GLU 335 Cb 0.30 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.40 3kvc n GLU 335 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3kvc s PHE 336 N -0.44 1.92 0.55 4.31 5.36 -1.26 -4.84 117.98 123.59 3kvc s PHE 336 Ca 0.61 0.39 0.22 0.00 -0.96 0.00 0.00 56.93 57.19 3kvc s PHE 336 Cb -0.53 -3.98 1.48 0.00 -0.34 0.00 0.00 43.02 39.64 3kvc s PHE 336 CO 0.54 -3.45 2.17 0.28 -1.46 0.00 0.00 175.22 173.31 3kvc h VAL 337 N 6.08 0.80 0.00 3.12 2.07 -1.98 -1.84 116.25 124.51 3kvc h VAL 337 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kvc h VAL 337 Cb 1.17 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3kvc h VAL 337 CO 0.98 0.00 0.00 1.88 0.02 0.00 0.00 177.57 180.45 3kvc h TYR 338 N 0.00 0.00 0.00 1.57 -1.99 -2.00 -0.95 116.97 113.61 3kvc h TYR 338 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3kvc h TYR 338 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 3kvc h TYR 338 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 178.16 177.25 3kvc h ASN 339 N 0.00 0.00 -0.56 3.88 2.35 -1.73 -2.41 115.58 117.10 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 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 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 -2.83 0.74 -1.55 1.19 4.02 -0.36 -4.45 117.16 113.92 3kvc n TYR 340 Ca -0.01 -0.37 0.07 0.00 -0.01 0.00 0.00 57.90 57.58 3kvc n TYR 340 Cb 0.17 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.67 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 1.36 2.46 -4.76 7.72 4.77 -0.91 -4.76 117.00 122.88 3kvc n LEU 341 Ca 0.21 -3.54 -0.40 0.00 -0.03 0.00 0.00 56.01 52.25 3kvc n LEU 341 Cb 0.55 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3kvc n LEU 341 CO 0.15 1.17 0.83 -0.31 -1.33 0.00 0.00 177.39 177.90 3kvc s TYR 342 N -2.88 3.40 0.38 -1.77 1.51 -1.26 -1.50 117.35 115.23 3kvc s TYR 342 Ca 0.36 1.63 0.06 0.00 -1.01 0.00 0.00 57.07 58.11 3kvc s TYR 342 Cb 0.34 -3.35 0.79 0.00 -0.11 0.00 0.00 41.96 39.63 3kvc s TYR 342 CO -0.05 -0.87 2.00 -0.07 -1.11 0.00 0.00 175.55 175.45 3kvc h LEU 343 N 3.51 0.58 -1.25 -1.29 3.38 -0.78 -0.96 115.31 118.50 3kvc h LEU 343 Ca -0.47 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3kvc h LEU 343 Cb 1.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3kvc h LEU 343 CO 0.66 0.40 0.51 0.00 0.09 0.00 0.00 178.44 180.10 3kvc h ALA 344 N 1.66 1.49 0.22 1.53 0.00 -1.93 -0.82 119.26 121.40 3kvc h ALA 344 Ca 0.25 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 3kvc h ALA 344 Cb 0.13 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kvc h ALA 344 CO -0.07 0.45 -1.42 -0.91 0.00 0.00 0.00 179.25 177.31 3kvc h ASN 345 N 1.01 0.79 0.91 0.00 -0.26 -1.62 -3.24 115.58 113.17 3kvc h ASN 345 Ca 0.30 -0.83 -0.01 0.00 -0.56 0.00 0.00 56.30 55.19 3kvc h ASN 345 Cb -0.04 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 36.96 3kvc h ASN 345 CO -0.08 1.64 -0.07 -0.07 -1.06 0.00 0.00 177.43 177.80 3kvc h LEU 346 N 0.15 0.00 -1.38 1.61 3.38 -0.95 -2.48 115.31 115.64 3kvc h LEU 346 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kvc h LEU 346 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 3kvc h LEU 346 CO 0.26 0.07 0.00 0.54 0.09 0.00 0.00 178.44 179.40 3kvc n ARG 347 N -3.22 1.91 -1.24 1.13 1.74 -0.34 -4.75 116.66 111.89 3kvc n ARG 347 Ca 0.00 -1.37 -0.30 0.00 -0.77 0.00 0.00 57.85 55.41 3kvc n ARG 347 Cb 0.33 -1.43 0.12 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.76 1.55 0.85 5.56 2.02 -0.93 -4.96 118.70 121.02 3kvc s GLU 348 Ca 0.34 0.89 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 3kvc s GLU 348 Cb 0.19 -1.84 0.10 0.00 0.10 0.00 0.00 34.13 32.69 3kvc s GLU 348 CO 0.28 -2.06 1.11 -0.80 0.02 0.00 0.00 175.26 173.81 3kvc s ASN 349 N -3.45 3.71 0.14 -0.19 0.01 -1.26 -4.69 114.94 109.21 3kvc s ASN 349 Ca 0.63 1.88 -0.18 0.00 -0.71 0.00 0.00 52.86 54.48 3kvc s ASN 349 Cb -0.18 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 3kvc s ASN 349 CO 0.57 -2.55 1.78 -0.25 -1.51 0.00 0.00 177.10 175.13 3kvc h TRP 350 N -1.49 0.41 -0.61 2.20 -0.00 -1.86 -0.26 115.95 114.35 3kvc h TRP 350 Ca -0.45 0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.49 3kvc h TRP 350 Cb 1.25 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 30.24 3kvc h TRP 350 CO 0.52 0.29 0.40 0.93 -0.00 0.00 0.00 178.44 180.58 3kvc h GLU 351 N 0.42 0.63 -0.05 2.65 4.39 -1.93 -0.92 114.58 119.76 3kvc h GLU 351 Ca 0.12 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.56 3kvc h GLU 351 Cb -0.01 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3kvc h GLU 351 CO -0.02 0.41 -0.85 0.93 -1.16 0.00 0.00 179.01 178.32 3kvc h GLU 352 N 0.65 0.49 -0.21 2.33 3.07 -1.62 -1.54 114.58 117.75 3kvc h GLU 352 Ca 0.25 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3kvc h GLU 352 Cb 0.19 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3kvc h GLU 352 CO -0.07 1.10 0.14 0.28 -1.40 0.00 0.00 179.01 179.05 3kvc h VAL 353 N 0.31 1.05 -0.46 3.13 2.07 -0.48 -0.16 116.25 121.71 3kvc h VAL 353 Ca -0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kvc h VAL 353 Cb 1.47 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3kvc h VAL 353 CO 0.15 0.05 0.30 0.11 0.02 0.00 0.00 177.57 178.20 3kvc h LYS 354 N 0.28 0.61 -0.79 1.57 1.57 -1.17 -2.73 116.57 115.91 3kvc h LYS 354 Ca 0.08 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3kvc h LYS 354 Cb -0.03 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 3kvc h LYS 354 CO -0.02 0.41 0.49 -0.22 -0.57 0.00 0.00 179.45 179.54 3kvc h LYS 355 N 0.62 0.87 0.00 3.15 3.64 -0.93 -2.44 116.57 121.48 3kvc h LYS 355 Ca 0.17 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3kvc h LYS 355 Cb -0.06 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3kvc h LYS 355 CO -0.04 0.58 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.71 3kvc h ASN 356 N 0.90 0.00 0.28 4.20 2.35 -0.73 -2.57 115.58 120.01 3kvc h ASN 356 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3kvc h ASN 356 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3kvc h ASN 356 CO -0.16 0.10 -0.25 0.00 -1.65 0.00 0.00 177.43 175.47 3kvc n ALA 357 N -2.31 3.07 -0.26 -0.83 0.00 -0.93 -4.51 120.51 114.74 3kvc n ALA 357 Ca -0.02 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.10 3kvc n ALA 357 Cb 0.21 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 18.70 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 1.04 0.42 -0.56 0.00 3.08 -1.37 -1.83 114.38 115.15 3kvc h ARG 358 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kvc h ARG 358 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kvc h ARG 358 CO 0.00 0.28 0.00 1.63 -1.07 0.00 0.00 179.97 180.81 3kvc n LYS 359 N -5.01 2.59 -1.50 0.04 5.02 -1.26 -5.00 118.16 113.03 3kvc n LYS 359 Ca 0.15 -2.44 -0.32 0.00 -2.02 0.00 0.00 58.31 53.67 3kvc n LYS 359 Cb 0.44 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.26 2.31 0.44 7.82 0.00 -0.69 -4.99 121.76 125.38 3kvc s ALA 360 Ca 0.44 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 3kvc s ALA 360 Cb 0.24 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 3kvc s ALA 360 CO 0.32 -1.58 1.22 -2.30 0.00 0.00 0.00 175.76 173.42 3kvc n PRO 361 N -2.91 1.77 -3.30 0.00 -0.02 -1.26 -4.98 135.00 124.30 3kvc n PRO 361 Ca 0.10 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 3kvc n PRO 361 Cb 0.52 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.24 4.31 0.47 -0.52 -1.52 -1.21 -4.72 119.66 114.22 3kvc s GLN 362 Ca 0.63 0.50 -0.22 0.00 -1.95 0.00 0.00 55.36 54.32 3kvc s GLN 362 Cb -0.51 -3.41 -0.08 0.00 -0.22 0.00 0.00 33.01 28.80 3kvc s GLN 362 CO 0.57 0.22 1.08 -1.25 -0.25 0.00 0.00 175.29 175.66 3kvc s PRO 363 N 0.41 3.80 -0.28 2.91 0.04 -1.26 -0.15 135.00 140.46 3kvc s PRO 363 Ca 0.27 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 3kvc s PRO 363 Cb -0.16 -2.26 0.10 0.00 0.04 0.00 0.00 34.50 32.22 3kvc s PRO 363 CO 0.12 -0.46 0.77 -2.00 0.04 0.00 0.00 177.00 175.46 3kvc s GLU 364 N -2.94 0.64 -0.11 4.56 2.12 -0.14 -4.45 118.70 118.38 3kvc s GLU 364 Ca 0.65 1.07 -0.24 0.00 0.36 0.00 0.00 54.97 56.81 3kvc s GLU 364 Cb -0.22 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 3kvc s GLU 364 CO 0.26 -0.13 0.77 0.08 -0.54 0.00 0.00 175.26 175.70 3kvc s VAL 365 N 1.46 4.96 -0.00 3.70 1.01 -0.04 -0.41 120.40 131.08 3kvc s VAL 365 Ca -0.09 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.47 3kvc s VAL 365 Cb -0.05 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3kvc s VAL 365 CO -0.17 0.14 -0.12 -0.13 0.00 0.00 0.00 175.10 174.82 3kvc s ARG 366 N 1.46 0.99 -0.27 2.72 0.52 -0.43 -0.75 118.95 123.20 3kvc s ARG 366 Ca 0.38 -0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 3kvc s ARG 366 Cb -0.17 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 3kvc s ARG 366 CO 0.16 0.26 0.14 0.50 0.02 0.00 0.00 175.30 176.38 3kvc s ARG 367 N -0.37 3.84 0.07 3.54 3.52 0.12 -1.10 118.95 128.56 3kvc s ARG 367 Ca 0.04 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 3kvc s ARG 367 Cb -0.05 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3kvc s ARG 367 CO -0.00 -0.18 0.09 0.71 -0.81 0.00 0.00 175.30 175.11 3kvc s TYR 368 N 1.69 3.24 -0.11 5.12 2.02 -0.39 -0.43 117.35 128.48 3kvc s TYR 368 Ca 0.07 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 3kvc s TYR 368 Cb -0.16 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3kvc s TYR 368 CO 0.08 0.53 -0.11 0.08 -1.57 0.00 0.00 175.55 174.57 3kvc s VAL 369 N -1.38 1.21 -0.26 0.71 1.01 -1.26 -0.44 120.40 120.00 3kvc s VAL 369 Ca 0.29 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3kvc s VAL 369 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3kvc s VAL 369 CO 0.22 0.39 -0.00 -0.76 0.00 0.00 0.00 175.10 174.94 3kvc s LEU 370 N 1.39 3.34 0.27 3.92 1.02 0.06 -4.69 118.68 123.99 3kvc s LEU 370 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.13 53.19 3kvc s LEU 370 Cb -0.13 -1.77 -0.10 0.00 0.02 0.00 0.00 46.19 44.21 3kvc s LEU 370 CO -0.06 -0.12 1.28 -2.84 0.02 0.00 0.00 176.35 174.64 3kvc s PRO 371 N 1.44 4.41 -0.05 1.29 0.02 -1.26 -1.01 135.00 139.83 3kvc s PRO 371 Ca 0.03 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.22 3kvc s PRO 371 Cb -0.16 -3.14 -0.24 0.00 0.02 0.00 0.00 34.50 30.98 3kvc s PRO 371 CO -0.02 -0.16 0.65 -0.07 -0.33 0.00 0.00 177.00 177.07 3kvc h LEU 372 N 4.31 0.09 -8.85 -5.54 3.38 -1.58 -3.45 115.31 103.67 3kvc h LEU 372 Ca -0.47 -0.19 -0.65 0.00 0.09 0.00 0.00 57.88 56.67 3kvc h LEU 372 Cb 1.22 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 3kvc h LEU 372 CO 0.71 1.17 -0.44 0.20 0.09 0.00 0.00 178.44 180.17 3kvc s ASN 373 N -6.32 6.09 -0.31 -0.43 0.01 -1.26 -5.05 114.94 107.67 3kvc s ASN 373 Ca -0.08 -0.07 -0.05 0.00 -0.71 0.00 0.00 52.86 51.95 3kvc s ASN 373 Cb 0.08 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.62 3kvc s ASN 373 CO 0.82 -0.14 0.06 -0.63 -1.51 0.00 0.00 177.10 175.69 3kvc s ILE 374 N 1.83 3.56 -0.27 0.60 -1.09 -1.26 -5.08 121.20 119.50 3kvc s ILE 374 Ca 0.09 -1.06 -0.08 0.00 -2.23 0.00 0.00 60.65 57.36 3kvc s ILE 374 Cb -0.16 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 3kvc s ILE 374 CO 0.11 -0.06 0.09 -0.62 -1.23 0.00 0.00 174.94 173.23 3kvc s ASP 375 N 1.39 5.21 0.53 3.58 -1.08 -1.26 -4.99 116.67 120.05 3kvc s ASP 375 Ca -0.01 -0.33 0.28 0.00 -0.52 0.00 0.00 52.55 51.96 3kvc s ASP 375 Cb -0.19 -1.93 1.43 0.00 -1.46 0.00 0.00 42.92 40.77 3kvc s ASP 375 CO 0.01 -0.08 1.96 0.11 0.52 0.00 0.00 175.17 177.68 3kvc h LYS 376 N 8.26 0.00 -0.05 4.34 1.79 -2.01 -0.75 116.57 128.14 3kvc h LYS 376 Ca -0.36 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.12 3kvc h LYS 376 Cb 1.16 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3kvc h LYS 376 CO 0.59 0.00 0.06 0.00 -1.08 0.00 0.00 179.45 179.02 3kvc h ALA 377 N 1.67 1.64 -0.37 3.86 0.00 -2.03 -1.79 119.26 122.24 3kvc h ALA 377 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kvc h ALA 377 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kvc h ALA 377 CO -0.00 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3kvc n ASP 378 N -3.88 2.67 -4.66 0.00 8.00 -0.29 -4.97 116.55 113.42 3kvc n ASP 378 Ca -0.02 -2.19 -0.46 0.00 0.71 0.00 0.00 54.79 52.83 3kvc n ASP 378 Cb 0.15 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.55 0.00 -0.28 -3.53 -1.04 -0.68 -1.68 114.28 107.63 3kvc n THR 379 Ca 0.14 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3kvc n THR 379 Cb 0.50 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 3.35 0.68 3.66 3.41 0.00 0.25 -5.00 105.19 111.55 3kvc n GLY 380 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.69 2.10 -0.20 1.61 1.02 -0.68 -4.87 119.74 118.03 3kvc s LYS 381 Ca 0.00 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 53.84 3kvc s LYS 381 Cb 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3kvc s LYS 381 CO 0.00 0.01 1.08 1.21 -0.92 0.00 0.00 175.35 176.73 3kvc s ASN 382 N -3.78 7.09 0.00 2.83 2.47 -1.26 -2.53 114.94 119.76 3kvc s ASN 382 Ca 0.37 1.47 0.27 0.00 0.42 0.00 0.00 52.86 55.38 3kvc s ASN 382 Cb 0.03 -2.54 0.81 0.00 -1.45 0.00 0.00 41.25 38.11 3kvc s ASN 382 CO 0.20 -0.65 1.63 0.18 -3.72 0.00 0.00 177.10 174.73 3kvc n LEU 383 N 6.15 0.36 -4.47 3.21 4.77 0.64 -4.72 117.00 122.94 3kvc n LEU 383 Ca 0.12 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 3kvc n LEU 383 Cb 0.46 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3kvc n LEU 383 CO 0.53 0.08 1.03 -0.69 -1.33 0.00 0.00 177.39 177.01 3kvc s VAL 384 N -2.93 4.54 -2.27 4.08 1.01 -1.26 -4.82 120.40 118.75 3kvc s VAL 384 Ca 0.14 -1.27 0.21 0.00 0.00 0.00 0.00 61.98 61.06 3kvc s VAL 384 Cb 0.18 -4.81 0.46 0.00 0.00 0.00 0.00 36.38 32.21 3kvc s VAL 384 CO 0.62 -1.57 1.55 0.35 0.00 0.00 0.00 175.10 176.05 3kvc n THR 385 N 5.78 0.20 -1.76 3.92 -2.24 -1.26 -4.96 114.28 113.96 3kvc n THR 385 Ca 0.21 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 3kvc n THR 385 Cb 0.49 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 69.09 3kvc n THR 385 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kvc n LEU 386 N 0.28 5.15 0.19 3.22 4.77 -1.26 -4.95 117.00 124.41 3kvc n LEU 386 Ca 0.16 1.12 0.08 0.00 -0.03 0.00 0.00 56.01 57.33 3kvc n LEU 386 Cb 0.32 -1.61 0.24 0.00 -2.33 0.00 0.00 43.42 40.05 3kvc n LEU 386 CO 0.13 -0.15 0.68 1.55 -1.33 0.00 0.00 177.39 178.27 3kvc h PRO 387 N 2.29 0.00 -0.21 3.23 0.13 -2.03 -3.37 132.00 132.04 3kvc h PRO 387 Ca -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 3kvc h PRO 387 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 3kvc h PRO 387 CO 0.61 0.29 -0.17 0.09 -0.23 0.00 0.00 178.00 178.59 3kvc n ASN 388 N -3.27 2.43 -4.13 1.44 3.02 -1.26 -4.99 115.26 108.50 3kvc n ASN 388 Ca 0.02 -3.64 -0.12 0.00 -0.03 0.00 0.00 54.58 50.80 3kvc n ASN 388 Cb 0.56 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.15 0.68 -1.81 3.41 -1.32 -1.26 -5.02 115.64 107.17 3kvc s THR 389 Ca 0.41 -1.60 0.16 0.00 -1.21 0.00 0.00 61.69 59.45 3kvc s THR 389 Cb 0.37 -1.27 0.26 0.00 -1.51 0.00 0.00 72.50 70.35 3kvc s THR 389 CO -0.01 -0.66 1.17 0.35 -2.21 0.00 0.00 174.62 173.26 3kvc n THR 390 N 0.56 0.39 -1.74 5.08 -2.24 -1.26 -4.98 114.28 110.10 3kvc n THR 390 Ca -0.16 -0.70 -0.38 0.00 -2.27 0.00 0.00 64.05 60.54 3kvc n THR 390 Cb 0.58 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.97 1.44 -2.20 6.98 0.00 -1.26 -4.67 120.51 121.77 3kvc n ALA 391 Ca 0.13 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 3kvc n ALA 391 Cb 0.45 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 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 -1.32 0.85 -0.25 0.00 -4.23 -0.81 -4.79 115.64 105.09 3kvc s THR 392 Ca 0.75 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.26 3kvc s THR 392 Cb -0.41 -1.74 0.14 0.00 1.34 0.00 0.00 72.50 71.84 3kvc s THR 392 CO 0.46 -0.83 0.42 0.00 -0.54 0.00 0.00 174.62 174.14 3kvc s ALA 393 N -3.53 -1.33 -0.24 3.99 0.00 -1.26 -1.40 121.76 118.00 3kvc s ALA 393 Ca 0.13 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 3kvc s ALA 393 Cb 0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3kvc s ALA 393 CO -0.03 -1.26 0.12 0.42 0.00 0.00 0.00 175.76 175.00 3kvc s ILE 394 N 2.61 4.89 -0.32 0.00 1.01 0.06 -0.26 121.20 129.19 3kvc s ILE 394 Ca 0.14 0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 3kvc s ILE 394 Cb -0.15 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.05 3kvc s ILE 394 CO -0.17 0.35 0.97 -0.22 0.00 0.00 0.00 174.94 175.87 3kvc s LEU 395 N 1.21 3.99 0.52 2.97 2.96 -1.05 -0.95 118.68 128.33 3kvc s LEU 395 Ca 0.06 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 3kvc s LEU 395 Cb -0.14 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.20 3kvc s LEU 395 CO 0.05 -0.79 0.75 0.00 -1.32 0.00 0.00 176.35 175.04 3kvc h SER 397 N 0.16 0.26 0.00 0.00 0.02 -1.97 -2.36 113.55 109.67 3kvc h SER 397 Ca -0.44 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3kvc h SER 397 Cb 1.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3kvc h SER 397 CO 0.55 0.65 0.00 -0.90 -1.14 0.00 0.00 176.83 175.99 3kvc n ASP 398 N -4.03 0.00 0.00 3.07 5.75 -1.26 -4.89 116.55 115.19 3kvc n ASP 398 Ca -0.01 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3kvc n ASP 398 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.72 0.00 -1.78 0.11 1.02 -0.89 -5.03 120.64 113.36 3kvc n GLU 399 Ca 0.10 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 3kvc n GLU 399 Cb 0.04 -1.98 0.05 0.00 -0.02 0.00 0.00 31.44 29.54 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 -3.51 2.80 -0.32 2.62 -4.23 -1.26 -4.42 115.64 107.32 3kvc s THR 400 Ca 0.00 0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3kvc s THR 400 Cb 0.00 -3.02 0.09 0.00 1.34 0.00 0.00 72.50 70.91 3kvc s THR 400 CO 0.00 -0.18 0.02 -0.63 -0.54 0.00 0.00 174.62 173.28 3kvc s ILE 401 N -1.99 2.35 -0.17 2.99 1.09 0.18 -1.28 121.20 124.38 3kvc s ILE 401 Ca 0.72 -2.09 -0.29 0.00 -1.10 0.00 0.00 60.65 57.89 3kvc s ILE 401 Cb -0.26 -2.62 -0.00 0.00 -1.06 0.00 0.00 42.46 38.52 3kvc s ILE 401 CO 0.39 -0.43 1.02 0.86 -0.10 0.00 0.00 174.94 176.68 3kvc s TRP 402 N 0.99 3.43 -0.07 3.97 -0.11 -0.12 -1.26 118.94 125.76 3kvc s TRP 402 Ca 0.05 1.52 -0.03 0.00 1.22 0.00 0.00 56.10 58.86 3kvc s TRP 402 Cb -0.20 -3.22 -0.04 0.00 -1.50 0.00 0.00 33.47 28.51 3kvc s TRP 402 CO -0.07 -0.35 0.07 -0.51 -4.62 0.00 0.00 176.95 171.47 3kvc s LEU 403 N 2.60 3.92 0.02 5.86 1.43 0.11 -0.76 118.68 131.86 3kvc s LEU 403 Ca 0.46 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 3kvc s LEU 403 Cb -0.17 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3kvc s LEU 403 CO 0.12 0.35 -0.25 -1.61 0.23 0.00 0.00 176.35 175.20 3kvc s GLU 404 N -1.20 1.79 0.45 1.70 0.41 -0.49 -4.69 118.70 116.67 3kvc s GLU 404 Ca 0.17 -0.99 -0.09 0.00 -0.41 0.00 0.00 54.97 53.65 3kvc s GLU 404 Cb -0.12 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 3kvc s GLU 404 CO 0.07 0.49 0.80 -1.25 -0.49 0.00 0.00 175.26 174.88 3kvc s PRO 405 N -0.98 3.69 -0.22 0.39 0.04 -1.26 -1.92 135.00 134.74 3kvc s PRO 405 Ca 0.10 0.42 -0.21 0.00 0.04 0.00 0.00 61.00 61.35 3kvc s PRO 405 Cb -0.10 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3kvc s PRO 405 CO 0.01 -0.14 0.67 -2.00 0.04 0.00 0.00 177.00 175.57 3kvc s GLU 406 N -4.25 4.17 -0.10 4.56 2.12 0.43 -4.51 118.70 121.11 3kvc s GLU 406 Ca 0.51 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 3kvc s GLU 406 Cb -0.10 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 3kvc s GLU 406 CO 0.38 -0.34 1.01 0.08 -0.54 0.00 0.00 175.26 175.84 3kvc s VAL 407 N 2.26 4.77 -0.16 3.70 1.01 -1.26 0.13 120.40 130.85 3kvc s VAL 407 Ca 0.29 2.04 0.19 0.00 0.00 0.00 0.00 61.98 64.49 3kvc s VAL 407 Cb -0.16 -4.31 -0.27 0.00 0.00 0.00 0.00 36.38 31.65 3kvc s VAL 407 CO 0.09 0.01 0.16 0.18 0.00 0.00 0.00 175.10 175.54 3kvc n LEU 408 N 5.00 0.01 -3.64 3.92 4.77 0.07 -4.95 117.00 122.18 3kvc n LEU 408 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3kvc n LEU 408 Cb 0.49 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.90 3kvc n LEU 408 CO 0.52 0.39 0.42 0.12 -1.33 0.00 0.00 177.39 177.52 3kvc s PHE 409 N -2.71 -0.90 -0.26 -1.77 2.19 -1.19 -4.82 117.98 108.52 3kvc s PHE 409 Ca -0.10 1.93 -0.06 0.00 0.33 0.00 0.00 56.93 59.04 3kvc s PHE 409 Cb 0.08 0.48 0.13 0.00 -1.31 0.00 0.00 43.02 42.40 3kvc s PHE 409 CO 0.85 -0.44 0.52 0.45 1.83 0.00 0.00 175.22 178.42 3kvc s SER 410 N 1.13 -0.67 0.03 6.13 0.15 -1.26 -0.86 113.70 118.35 3kvc s SER 410 Ca -0.06 0.99 0.03 0.00 0.70 0.00 0.00 55.95 57.61 3kvc s SER 410 Cb -0.05 1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 66.01 3kvc s SER 410 CO -0.12 -0.25 -0.09 -0.83 1.20 0.00 0.00 173.24 173.15 3kvc s GLY 411 N 2.74 0.54 -0.16 9.45 0.00 -1.25 -5.08 107.32 113.56 3kvc s GLY 411 Ca 0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 3kvc s GLY 411 CO -0.17 -0.62 2.01 -4.14 0.00 0.00 0.00 173.10 170.17 3kvc s PRO 412 N -0.98 3.54 -1.19 2.90 0.02 -1.26 -1.74 135.00 136.29 3kvc s PRO 412 Ca -0.02 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3kvc s PRO 412 Cb -0.07 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.21 3kvc s PRO 412 CO 0.00 -1.63 0.00 0.54 -0.33 0.00 0.00 177.00 175.59 3kvc n ARG 413 N 8.20 -1.93 -3.93 5.54 1.74 -1.26 -4.91 116.66 120.12 3kvc n ARG 413 Ca 0.25 0.67 -0.31 0.00 -0.77 0.00 0.00 57.85 57.69 3kvc n ARG 413 Cb 0.44 -5.17 -0.15 0.00 -1.02 0.00 0.00 32.46 26.56 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 -4.48 1.45 -0.05 5.56 2.00 -0.71 -0.90 119.66 122.53 3kvc s GLN 414 Ca 0.00 -1.27 -0.14 0.00 -2.00 0.00 0.00 55.36 51.95 3kvc s GLN 414 Cb 0.00 -2.66 -0.05 0.00 0.80 0.00 0.00 33.01 31.10 3kvc s GLN 414 CO 0.00 -0.77 0.36 0.00 -0.50 0.00 0.00 175.29 174.38 3kvc s ALA 415 N 1.28 3.69 -0.39 1.58 0.00 -0.28 -3.82 121.76 123.82 3kvc s ALA 415 Ca 0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 3kvc s ALA 415 Cb -0.19 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.59 3kvc s ALA 415 CO -0.10 0.39 0.60 0.12 0.00 0.00 0.00 175.76 176.77 3kvc s PHE 416 N -0.66 3.12 0.31 0.00 2.19 -1.26 -1.37 117.98 120.31 3kvc s PHE 416 Ca 0.21 0.10 0.06 0.00 0.33 0.00 0.00 56.93 57.63 3kvc s PHE 416 Cb -0.15 -3.16 -0.03 0.00 -1.31 0.00 0.00 43.02 38.37 3kvc s PHE 416 CO 0.10 -0.71 0.25 -1.21 1.83 0.00 0.00 175.22 175.48 3kvc s GLU 417 N 2.64 1.67 -1.24 10.12 0.41 -0.52 -4.86 118.70 126.92 3kvc s GLU 417 Ca 0.22 -1.96 -0.20 0.00 -0.41 0.00 0.00 54.97 52.61 3kvc s GLU 417 Cb -0.15 0.26 0.01 0.00 -1.78 0.00 0.00 34.13 32.48 3kvc s GLU 417 CO 0.16 -0.60 0.63 1.19 -0.49 0.00 0.00 175.26 176.16 3kvc n PHE 418 N -0.58 -1.65 -2.58 1.61 3.72 -1.26 -0.27 117.46 116.45 3kvc n PHE 418 Ca 0.06 0.39 -0.39 0.00 -0.05 0.00 0.00 57.45 57.46 3kvc n PHE 418 Cb 0.63 -3.24 -0.05 0.00 -0.94 0.00 0.00 39.48 35.88 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 -6.65 4.53 0.06 -1.08 0.04 -1.26 -4.04 135.00 126.60 3kvc s PRO 419 Ca 0.36 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3kvc s PRO 419 Cb -0.16 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3kvc s PRO 419 CO 0.91 0.17 -0.10 -0.65 0.04 0.00 0.00 177.00 177.37 3kvc s GLN 420 N -1.79 0.66 0.42 4.56 -1.52 0.57 -4.97 119.66 117.59 3kvc s GLN 420 Ca 0.49 -0.86 0.04 0.00 -1.95 0.00 0.00 55.36 53.07 3kvc s GLN 420 Cb -0.26 -0.51 -0.02 0.00 -0.22 0.00 0.00 33.01 32.00 3kvc s GLN 420 CO 0.33 0.10 0.14 0.96 -0.25 0.00 0.00 175.29 176.57 3kvc s ILE 421 N -1.42 0.56 -1.22 1.08 -4.36 -1.26 -0.30 121.20 114.28 3kvc s ILE 421 Ca -0.06 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.12 3kvc s ILE 421 Cb -0.09 -2.30 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 3kvc s ILE 421 CO 0.01 0.00 1.83 0.21 0.24 0.00 0.00 174.94 177.23 3kvc s ASN 422 N -3.63 5.85 0.13 4.36 3.84 -1.26 -4.69 114.94 119.53 3kvc s ASN 422 Ca 0.22 -1.95 -0.13 0.00 0.21 0.00 0.00 52.86 51.21 3kvc s ASN 422 Cb 0.02 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 3kvc s ASN 422 CO 0.14 -2.21 1.51 0.22 -2.79 0.00 0.00 177.10 173.98 3kvc h TYR 423 N 8.89 0.92 -0.98 0.43 5.03 -1.93 -0.10 116.97 129.23 3kvc h TYR 423 Ca 0.31 -0.22 0.08 0.00 2.58 0.00 0.00 58.73 61.48 3kvc h TYR 423 Cb 0.92 -0.22 -0.07 0.00 1.55 0.00 0.00 36.73 38.91 3kvc h TYR 423 CO 1.31 0.97 0.63 0.37 -1.32 0.00 0.00 178.16 180.11 3kvc h GLN 424 N 0.61 1.07 0.00 1.82 4.15 -1.94 -0.59 115.11 120.23 3kvc h GLN 424 Ca 0.09 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3kvc h GLN 424 Cb 0.71 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3kvc h GLN 424 CO 0.05 0.71 -1.92 1.17 -1.93 0.00 0.00 178.83 176.91 3kvc n LYS 425 N -4.52 0.68 0.00 1.69 4.81 -1.19 -4.68 118.16 114.95 3kvc n LYS 425 Ca 0.16 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3kvc n LYS 425 Cb 0.22 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.24 0.00 -1.90 5.64 4.02 -0.06 -4.95 117.16 117.68 3kvc n TYR 426 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.39 3kvc n TYR 426 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 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 -0.13 1.51 0.00 2.72 0.00 -0.23 -1.94 107.32 109.25 3kvc s GLY 427 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.05 3kvc s GLY 427 CO 0.00 2.80 0.00 0.61 0.00 0.00 0.00 173.10 176.51 3kvc n GLY 428 N 3.91 0.72 3.20 0.20 0.00 -1.21 -4.97 105.19 107.04 3kvc n GLY 428 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.09 0.92 0.05 1.61 1.02 -0.82 -4.31 119.74 118.12 3kvc s LYS 429 Ca 0.00 -1.36 -0.38 0.00 0.02 0.00 0.00 55.97 54.25 3kvc s LYS 429 Cb 0.00 -0.38 -0.19 0.00 -0.52 0.00 0.00 37.83 36.74 3kvc s LYS 429 CO 0.00 0.02 1.08 -2.30 -0.92 0.00 0.00 175.35 173.24 3kvc n PRO 430 N -0.05 0.34 -3.96 -1.68 -0.02 -1.26 -4.71 135.00 123.65 3kvc n PRO 430 Ca -0.12 0.12 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 3kvc n PRO 430 Cb 0.60 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.31 0.00 6.00 1.13 -1.26 -4.92 117.35 118.60 3kvc s TYR 431 Ca 0.86 -0.71 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 3kvc s TYR 431 Cb -1.14 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 3kvc s TYR 431 CO 0.54 -1.14 0.00 2.41 -2.51 0.00 0.00 175.55 174.86 3kvc n THR 432 N -0.44 0.00 -5.12 -3.49 -1.04 -1.26 -4.85 114.28 98.08 3kvc n THR 432 Ca -0.03 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.70 3kvc n THR 432 Cb 0.61 -0.45 -0.16 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.45 2.08 0.05 -1.42 2.02 -1.26 -0.91 117.35 116.45 3kvc s TYR 433 Ca 0.00 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3kvc s TYR 433 Cb 0.00 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3kvc s TYR 433 CO 0.00 -0.10 -0.14 0.00 -1.57 0.00 0.00 175.55 173.74 3kvc s ALA 434 N -0.36 1.19 0.03 3.71 0.00 -0.54 -4.58 121.76 121.21 3kvc s ALA 434 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3kvc s ALA 434 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3kvc s ALA 434 CO 0.01 0.22 -0.18 0.71 0.00 0.00 0.00 175.76 176.51 3kvc s TYR 435 N -0.94 2.55 0.23 0.00 2.02 0.59 -0.48 117.35 121.32 3kvc s TYR 435 Ca 0.01 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 3kvc s TYR 435 Cb -0.08 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3kvc s TYR 435 CO 0.01 0.22 0.46 0.20 -1.57 0.00 0.00 175.55 174.87 3kvc s GLY 436 N -1.30 0.42 -0.22 0.71 0.00 0.41 -0.32 107.32 107.02 3kvc s GLY 436 Ca 0.14 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 3kvc s GLY 436 CO 0.04 -0.60 0.19 -2.27 0.00 0.00 0.00 173.10 170.46 3kvc s LEU 437 N -2.99 4.15 -0.21 0.66 2.96 0.63 -0.76 118.68 123.13 3kvc s LEU 437 Ca 0.19 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.08 3kvc s LEU 437 Cb -0.00 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3kvc s LEU 437 CO 0.06 0.08 0.73 -0.83 -1.32 0.00 0.00 176.35 175.06 3kvc s GLY 438 N 0.87 1.94 -0.21 7.98 0.00 0.16 -1.44 107.32 116.62 3kvc s GLY 438 Ca 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 44.72 44.55 3kvc s GLY 438 CO 0.03 1.55 0.07 1.08 0.00 0.00 0.00 173.10 175.83 3kvc s LEU 439 N 2.31 3.68 -0.41 0.66 1.43 -0.47 -1.35 118.68 124.52 3kvc s LEU 439 Ca 0.32 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 3kvc s LEU 439 Cb -0.16 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.20 3kvc s LEU 439 CO 0.10 0.09 0.24 0.21 0.23 0.00 0.00 176.35 177.22 3kvc s ASN 440 N 0.85 5.54 -1.57 2.29 3.84 0.13 -1.12 114.94 124.89 3kvc s ASN 440 Ca 0.04 -1.58 -0.12 0.00 0.21 0.00 0.00 52.86 51.40 3kvc s ASN 440 Cb -0.14 -1.95 0.10 0.00 -0.55 0.00 0.00 41.25 38.71 3kvc s ASN 440 CO 0.02 -0.53 0.76 1.41 -2.79 0.00 0.00 177.10 175.97 3kvc n HIS 441 N 4.86 -1.89 -0.79 0.43 8.25 -0.07 -1.21 115.22 124.79 3kvc n HIS 441 Ca -0.09 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3kvc n HIS 441 Cb 0.43 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.06 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 -4.47 0.00 -3.48 4.41 3.72 -1.26 -4.84 117.46 111.54 3kvc n PHE 442 Ca -0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 3kvc n PHE 442 Cb 0.55 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 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 -3.79 5.25 -0.06 -4.37 1.01 -0.35 -4.99 120.40 113.11 3kvc s VAL 443 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 3kvc s VAL 443 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3kvc s VAL 443 CO 0.00 0.29 1.32 -2.16 0.00 0.00 0.00 175.10 174.55 3kvc s PRO 444 N 1.20 4.28 0.00 2.72 0.04 -1.26 0.18 135.00 142.17 3kvc s PRO 444 Ca 0.15 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3kvc s PRO 444 Cb -0.14 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.75 3kvc s PRO 444 CO 0.07 -0.59 0.43 -0.40 0.04 0.00 0.00 177.00 176.55 3kvc n ASP 445 N 5.77 0.00 -3.66 6.66 5.75 -0.46 -4.08 116.55 126.53 3kvc n ASP 445 Ca 0.13 -1.01 -0.07 0.00 -0.01 0.00 0.00 54.79 53.83 3kvc n ASP 445 Cb 0.45 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.26 0.01 0.11 1.70 -1.22 -4.61 118.95 116.20 3kvc s ARG 446 Ca 0.00 -0.62 0.07 0.00 -0.47 0.00 0.00 55.73 54.71 3kvc s ARG 446 Cb 0.00 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3kvc s ARG 446 CO 0.00 -0.57 -0.19 -0.51 -1.08 0.00 0.00 175.30 172.95 3kvc s LEU 447 N -2.80 2.52 0.03 -1.89 1.43 -0.10 -0.67 118.68 117.21 3kvc s LEU 447 Ca 0.08 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3kvc s LEU 447 Cb -0.02 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3kvc s LEU 447 CO -0.02 0.29 -0.11 0.00 0.23 0.00 0.00 176.35 176.74 3kvc s LYS 449 N -1.02 1.49 -0.07 0.00 2.20 -0.20 -0.44 119.74 121.69 3kvc s LYS 449 Ca -0.01 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 3kvc s LYS 449 Cb -0.07 -1.45 0.02 0.00 -1.51 0.00 0.00 37.83 34.82 3kvc s LYS 449 CO 0.01 0.40 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.14 3kvc s LEU 450 N -0.48 1.38 -0.38 5.43 2.96 0.37 -1.22 118.68 126.74 3kvc s LEU 450 Ca 0.07 -0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.50 3kvc s LEU 450 Cb -0.07 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3kvc s LEU 450 CO -0.01 -0.04 0.84 0.21 -1.32 0.00 0.00 176.35 176.03 3kvc s ASN 451 N 1.08 6.57 0.24 3.68 3.84 -0.25 -1.46 114.94 128.63 3kvc s ASN 451 Ca -0.08 0.36 0.25 0.00 0.21 0.00 0.00 52.86 53.60 3kvc s ASN 451 Cb -0.14 -2.42 0.91 0.00 -0.55 0.00 0.00 41.25 39.04 3kvc s ASN 451 CO -0.01 -0.81 1.75 1.33 -2.79 0.00 0.00 177.10 176.57 3kvc n VAL 452 N 5.93 0.72 0.09 -5.21 0.24 -0.09 -0.19 118.33 119.82 3kvc n VAL 452 Ca 0.04 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 3kvc n VAL 452 Cb 0.48 -0.89 -0.15 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.41 0.00 7.34 1.57 -1.89 -3.40 116.57 120.60 3kvc h LYS 453 Ca 0.00 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 3kvc h LYS 453 Cb 0.54 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kvc h LYS 453 CO 0.00 1.34 -0.71 0.25 -0.57 0.00 0.00 179.45 179.75 3kvc n THR 454 N -3.78 0.00 -0.98 -0.16 -2.24 -1.20 -5.00 114.28 100.93 3kvc n THR 454 Ca -0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3kvc n THR 454 Cb 1.02 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.38 -1.18 -1.93 -0.78 5.02 0.74 -5.00 118.16 113.66 3kvc n LYS 455 Ca 0.02 0.29 -0.39 0.00 -2.02 0.00 0.00 58.31 56.21 3kvc n LYS 455 Cb 0.21 -4.23 0.02 0.00 -0.02 0.00 0.00 35.03 31.01 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 -1.22 3.51 0.16 1.97 2.12 -1.24 -4.77 118.70 119.23 3kvc s GLU 456 Ca 0.00 2.16 0.06 0.00 0.36 0.00 0.00 54.97 57.56 3kvc s GLU 456 Cb 0.00 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3kvc s GLU 456 CO 0.00 -0.87 -0.13 0.95 -0.54 0.00 0.00 175.26 174.67 3kvc s THR 457 N -1.32 1.43 0.09 -1.70 -4.23 -1.26 -1.10 115.64 107.55 3kvc s THR 457 Ca 0.65 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 3kvc s THR 457 Cb -0.38 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 3kvc s THR 457 CO 0.47 -0.56 -0.13 0.26 -0.54 0.00 0.00 174.62 174.12 3kvc s TRP 458 N -2.72 1.23 -0.02 3.99 0.51 -0.36 -4.97 118.94 116.60 3kvc s TRP 458 Ca 0.15 -0.53 -0.01 0.00 -2.12 0.00 0.00 56.10 53.59 3kvc s TRP 458 Cb -0.02 -0.67 0.01 0.00 -0.81 0.00 0.00 33.47 31.98 3kvc s TRP 458 CO 0.04 0.07 0.05 0.08 -0.51 0.00 0.00 176.95 176.68 3kvc s VAL 459 N -1.79 -0.01 -0.09 4.03 1.01 -1.26 -1.04 120.40 121.25 3kvc s VAL 459 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3kvc s VAL 459 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 3kvc s VAL 459 CO 0.02 0.01 -0.14 0.86 0.00 0.00 0.00 175.10 175.85 3kvc s TRP 460 N 0.21 2.75 0.09 5.22 -0.00 0.13 -4.98 118.94 122.37 3kvc s TRP 460 Ca -0.02 -0.45 -0.25 0.00 -0.00 0.00 0.00 56.10 55.39 3kvc s TRP 460 Cb -0.02 -1.75 0.07 0.00 -0.00 0.00 0.00 33.47 31.76 3kvc s TRP 460 CO -0.01 -0.05 0.60 1.14 -0.00 0.00 0.00 176.95 178.63 3kvc s GLN 461 N -0.10 1.18 -0.04 5.86 -2.07 -1.26 -0.92 119.66 122.31 3kvc s GLN 461 Ca -0.02 -0.27 -0.03 0.00 -1.82 0.00 0.00 55.36 53.22 3kvc s GLN 461 Cb -0.14 0.55 0.01 0.00 -1.09 0.00 0.00 33.01 32.34 3kvc s GLN 461 CO 0.04 -0.47 0.09 -1.21 -1.32 0.00 0.00 175.29 172.42 3kvc s GLU 462 N -2.95 0.10 0.20 9.60 2.02 -1.26 -5.09 118.70 121.32 3kvc s GLU 462 Ca -0.03 0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.80 3kvc s GLU 462 Cb -0.01 0.02 -0.15 0.00 0.10 0.00 0.00 34.13 34.09 3kvc s GLU 462 CO -0.06 -0.03 1.10 -2.30 0.02 0.00 0.00 175.26 173.99 3kvc n PRO 463 N 3.17 1.16 -1.98 0.39 -0.02 -1.26 -2.51 135.00 133.96 3kvc n PRO 463 Ca -0.14 0.41 -0.18 0.00 -2.02 0.00 0.00 63.50 61.57 3kvc n PRO 463 Cb 0.58 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.82 -5.18 -4.16 2.55 8.00 -1.26 -4.98 116.55 113.35 3kvc n ASP 464 Ca 0.14 0.18 -0.28 0.00 0.71 0.00 0.00 54.79 55.54 3kvc n ASP 464 Cb 0.26 -4.25 -0.17 0.00 -0.02 0.00 0.00 41.12 36.95 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 -2.47 2.50 -0.30 -2.24 0.01 -1.04 -4.19 113.70 105.98 3kvc s SER 465 Ca 0.00 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.85 3kvc s SER 465 Cb 0.00 -0.95 0.09 0.00 0.21 0.00 0.00 66.02 65.37 3kvc s SER 465 CO 0.00 0.14 0.02 -0.31 0.41 0.00 0.00 173.24 173.50 3kvc s TYR 466 N 0.25 2.87 0.78 2.43 2.02 -0.19 -4.65 117.35 120.87 3kvc s TYR 466 Ca -0.11 -2.31 -0.09 0.00 -0.37 0.00 0.00 57.07 54.19 3kvc s TYR 466 Cb -0.15 -2.18 0.10 0.00 -0.40 0.00 0.00 41.96 39.33 3kvc s TYR 466 CO 0.05 -0.88 1.11 -1.25 -1.57 0.00 0.00 175.55 173.01 3kvc s PRO 467 N 1.22 1.74 0.47 -1.71 0.04 -1.26 -1.32 135.00 134.18 3kvc s PRO 467 Ca 0.04 -0.34 0.06 0.00 0.04 0.00 0.00 61.00 60.80 3kvc s PRO 467 Cb -0.19 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3kvc s PRO 467 CO -0.11 -1.59 0.27 -1.54 0.04 0.00 0.00 177.00 174.07 3kvc s SER 468 N -4.64 4.56 0.08 6.66 1.04 -0.39 -4.76 113.70 116.26 3kvc s SER 468 Ca 0.64 -1.14 -0.36 0.00 0.48 0.00 0.00 55.95 55.57 3kvc s SER 468 Cb -0.09 -0.08 -0.18 0.00 0.10 0.00 0.00 66.02 65.77 3kvc s SER 468 CO 0.47 -0.79 1.12 1.21 0.98 0.00 0.00 173.24 176.24 3kvc n GLU 469 N -1.47 0.60 -3.01 4.02 2.13 -1.26 -4.61 120.64 117.03 3kvc n GLU 469 Ca -0.02 0.21 -0.40 0.00 0.66 0.00 0.00 57.16 57.61 3kvc n GLU 469 Cb 0.64 -1.71 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 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 -0.02 4.47 -0.12 5.31 0.04 -1.26 -4.62 135.00 138.80 3kvc s PRO 470 Ca 0.83 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 3kvc s PRO 470 Cb -1.05 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 3kvc s PRO 470 CO 0.53 0.27 -0.09 0.42 0.04 0.00 0.00 177.00 178.17 3kvc s ILE 471 N 0.00 3.48 -0.04 0.56 -1.09 0.26 -4.61 121.20 119.77 3kvc s ILE 471 Ca 0.38 -0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 58.09 3kvc s ILE 471 Cb -0.20 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 3kvc s ILE 471 CO 0.22 0.53 0.51 0.12 -1.23 0.00 0.00 174.94 175.09 3kvc s PHE 472 N 0.02 3.64 -0.15 3.97 5.36 -1.26 -0.38 117.98 129.18 3kvc s PHE 472 Ca -0.02 1.05 -0.00 0.00 -0.96 0.00 0.00 56.93 57.00 3kvc s PHE 472 Cb -0.14 -2.51 0.03 0.00 -0.34 0.00 0.00 43.02 40.07 3kvc s PHE 472 CO 0.03 0.37 -0.08 0.08 -1.46 0.00 0.00 175.22 174.16 3kvc s VAL 473 N -0.18 1.25 0.45 3.12 1.01 -0.06 -4.96 120.40 121.04 3kvc s VAL 473 Ca 0.27 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 3kvc s VAL 473 Cb -0.17 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 3kvc s VAL 473 CO 0.14 0.26 1.08 -0.55 0.00 0.00 0.00 175.10 176.03 3kvc s SER 474 N 1.59 6.41 0.22 3.32 0.15 -1.26 -0.93 113.70 123.20 3kvc s SER 474 Ca 0.02 2.09 -0.32 0.00 0.70 0.00 0.00 55.95 58.44 3kvc s SER 474 Cb -0.14 -2.58 -0.13 0.00 -1.71 0.00 0.00 66.02 61.46 3kvc s SER 474 CO -0.08 -0.74 1.60 1.57 1.20 0.00 0.00 173.24 176.79 3kvc n HIS 475 N -0.51 2.56 -0.06 3.44 -0.00 0.15 -4.86 115.22 115.94 3kvc n HIS 475 Ca 0.07 0.21 0.17 0.00 0.46 0.00 0.00 57.72 58.63 3kvc n HIS 475 Cb 0.50 -2.59 0.60 0.00 -0.12 0.00 0.00 29.99 28.38 3kvc n HIS 475 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3kvc h PRO 476 N 5.65 0.19 -0.67 1.57 0.13 -1.91 -0.99 132.00 135.98 3kvc h PRO 476 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kvc h PRO 476 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kvc h PRO 476 CO 0.87 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 3kvc n ASP 477 N -4.43 4.61 -4.77 1.44 8.00 -1.26 -5.00 116.55 115.14 3kvc n ASP 477 Ca 0.11 -2.38 -0.40 0.00 0.71 0.00 0.00 54.79 52.83 3kvc n ASP 477 Cb 0.52 -0.57 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3kvc n ASP 477 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kvc s ALA 478 N -1.74 3.36 -0.06 2.24 0.00 -0.38 -4.92 121.76 120.27 3kvc s ALA 478 Ca 0.50 1.37 0.15 0.00 0.00 0.00 0.00 51.96 53.98 3kvc s ALA 478 Cb 0.32 -3.54 -0.22 0.00 0.00 0.00 0.00 23.12 19.68 3kvc s ALA 478 CO 0.26 -0.94 0.26 1.28 0.00 0.00 0.00 175.76 176.62 3kvc n LEU 479 N 0.23 0.00 -4.92 0.00 4.77 -1.26 -5.03 117.00 110.79 3kvc n LEU 479 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 3kvc n LEU 479 Cb 0.42 0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3kvc n LEU 479 CO 0.59 0.10 0.56 -1.61 -1.33 0.00 0.00 177.39 175.70 3kvc s GLU 480 N -2.87 2.79 0.13 3.23 2.02 -1.26 -5.02 118.70 117.71 3kvc s GLU 480 Ca -0.06 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.92 3kvc s GLU 480 Cb 0.08 -2.24 -0.15 0.00 0.10 0.00 0.00 34.13 31.93 3kvc s GLU 480 CO 0.63 -0.81 1.28 1.49 0.02 0.00 0.00 175.26 177.87 3kvc h GLU 481 N -0.27 0.16 -0.32 1.61 4.81 -2.02 -3.34 114.58 115.20 3kvc h GLU 481 Ca -0.45 -0.22 -0.22 0.00 -0.13 0.00 0.00 59.36 58.34 3kvc h GLU 481 Cb 1.27 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.57 3kvc h GLU 481 CO 0.61 1.04 -0.48 -0.40 -0.73 0.00 0.00 179.01 179.05 3kvc n ASP 482 N -3.53 2.98 -4.35 1.04 5.75 -1.26 -4.74 116.55 112.44 3kvc n ASP 482 Ca -0.04 -3.84 -0.46 0.00 -0.01 0.00 0.00 54.79 50.44 3kvc n ASP 482 Cb 0.91 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 3kvc n ASP 482 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kvc s ASP 483 N -3.18 6.55 0.00 -1.12 2.15 -1.26 -3.17 116.67 116.65 3kvc s ASP 483 Ca 0.44 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.18 3kvc s ASP 483 Cb 0.39 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 3kvc s ASP 483 CO -0.02 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 3kvc n GLY 484 N 4.64 -0.55 3.44 2.66 0.00 -1.26 -0.68 105.19 113.43 3kvc n GLY 484 Ca 0.07 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 2.12 -0.03 1.61 -7.23 -0.11 -1.31 120.40 112.45 3kvc s VAL 485 Ca 0.00 -2.29 0.06 0.00 -1.81 0.00 0.00 61.98 57.95 3kvc s VAL 485 Cb 0.00 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 3kvc s VAL 485 CO 0.00 -0.42 -0.22 0.68 -0.31 0.00 0.00 175.10 174.84 3kvc s VAL 486 N -2.73 2.42 -0.10 1.32 -7.23 -0.17 -0.88 120.40 113.04 3kvc s VAL 486 Ca 0.28 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3kvc s VAL 486 Cb -0.02 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3kvc s VAL 486 CO 0.12 0.58 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.70 3kvc s LEU 487 N -0.62 3.31 -0.01 1.32 1.43 0.49 -1.58 118.68 123.03 3kvc s LEU 487 Ca 0.09 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3kvc s LEU 487 Cb -0.10 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 3kvc s LEU 487 CO -0.00 0.31 0.07 -0.55 0.23 0.00 0.00 176.35 176.42 3kvc s SER 488 N -0.50 0.04 -0.22 2.29 0.15 -0.73 -0.57 113.70 114.14 3kvc s SER 488 Ca 0.08 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 3kvc s SER 488 Cb -0.12 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3kvc s SER 488 CO 0.02 -0.22 0.32 -0.69 1.20 0.00 0.00 173.24 173.88 3kvc s VAL 489 N -0.83 5.24 -0.11 4.45 1.01 -1.26 0.02 120.40 128.93 3kvc s VAL 489 Ca -0.09 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3kvc s VAL 489 Cb -0.05 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3kvc s VAL 489 CO 0.00 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 3kvc s VAL 490 N 1.33 2.49 -0.18 2.92 1.01 0.69 -1.26 120.40 127.39 3kvc s VAL 490 Ca 0.15 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3kvc s VAL 490 Cb -0.14 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3kvc s VAL 490 CO 0.07 0.55 0.23 -0.69 0.00 0.00 0.00 175.10 175.26 3kvc s VAL 491 N 0.25 5.34 -0.39 2.92 1.01 -0.44 -0.82 120.40 128.28 3kvc s VAL 491 Ca -0.13 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.36 3kvc s VAL 491 Cb -0.17 -3.57 0.32 0.00 0.00 0.00 0.00 36.38 32.96 3kvc s VAL 491 CO 0.07 0.39 0.70 -1.54 0.00 0.00 0.00 175.10 174.72 3kvc n SER 492 N 3.69 0.29 -4.77 3.32 3.41 -0.16 -1.02 113.62 118.38 3kvc n SER 492 Ca -0.13 -2.98 -0.36 0.00 -0.26 0.00 0.00 58.87 55.14 3kvc n SER 492 Cb 0.52 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.78 3.43 0.00 4.33 0.05 -1.25 -4.46 135.00 135.32 3kvc s PRO 493 Ca 0.37 1.77 0.00 0.00 0.05 0.00 0.00 61.00 63.20 3kvc s PRO 493 Cb 0.29 -2.18 0.00 0.00 0.05 0.00 0.00 34.50 32.66 3kvc s PRO 493 CO -0.09 -0.83 0.00 0.41 0.05 0.00 0.00 177.00 176.54 3kvc n GLY 494 N 0.39 3.36 3.67 0.56 0.00 -1.26 -4.95 105.19 106.96 3kvc n GLY 494 Ca 0.10 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 3.66 0.00 4.61 0.00 -1.26 -2.39 121.76 124.38 3kvc s ALA 495 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3kvc s ALA 495 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3kvc s ALA 495 CO 0.00 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.80 3kvc n GLY 496 N 4.32 2.93 3.80 0.00 0.00 -1.26 -5.02 105.19 109.96 3kvc n GLY 496 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.17 4.42 0.33 1.61 -0.21 -1.01 -5.01 119.66 119.62 3kvc s GLN 497 Ca 0.00 1.20 -0.29 0.00 0.02 0.00 0.00 55.36 56.28 3kvc s GLN 497 Cb 0.00 -2.58 -0.11 0.00 1.00 0.00 0.00 33.01 31.32 3kvc s GLN 497 CO 0.00 0.18 1.55 1.63 -2.12 0.00 0.00 175.29 176.52 3kvc n LYS 498 N 0.12 2.67 0.26 2.91 4.76 -1.26 -4.69 118.16 122.93 3kvc n LYS 498 Ca 0.03 0.94 0.15 0.00 -2.87 0.00 0.00 58.31 56.57 3kvc n LYS 498 Cb 0.52 -2.70 0.65 0.00 -1.84 0.00 0.00 35.03 31.65 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 4.02 0.00 -2.91 1.97 0.13 -1.78 -3.42 132.00 130.01 3kvc h PRO 499 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3kvc h PRO 499 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 3kvc h PRO 499 CO 0.73 0.08 0.25 0.00 -0.23 0.00 0.00 178.00 178.83 3kvc s ALA 500 N -3.73 -1.53 -0.06 -0.56 0.00 -1.25 -0.99 121.76 113.64 3kvc s ALA 500 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 3kvc s ALA 500 Cb 0.10 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.14 3kvc s ALA 500 CO 0.57 -0.83 0.82 1.52 0.00 0.00 0.00 175.76 177.83 3kvc s TYR 501 N -3.72 -0.50 -0.18 0.00 1.13 -0.00 -1.98 117.35 112.10 3kvc s TYR 501 Ca 0.04 0.73 -0.20 0.00 -1.41 0.00 0.00 57.07 56.23 3kvc s TYR 501 Cb -0.02 0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 3kvc s TYR 501 CO -0.08 -0.53 0.59 -1.17 -2.51 0.00 0.00 175.55 171.86 3kvc s LEU 502 N -1.52 4.17 -0.14 -3.49 0.20 -0.15 -0.23 118.68 117.52 3kvc s LEU 502 Ca -0.04 0.82 -0.08 0.00 0.69 0.00 0.00 54.13 55.52 3kvc s LEU 502 Cb -0.00 -2.84 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 3kvc s LEU 502 CO 0.02 -0.21 0.13 -0.22 -0.29 0.00 0.00 176.35 175.77 3kvc s LEU 503 N 1.65 4.31 -0.19 -0.68 2.96 0.10 -0.71 118.68 126.12 3kvc s LEU 503 Ca 0.28 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3kvc s LEU 503 Cb -0.16 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3kvc s LEU 503 CO 0.11 0.35 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.68 3kvc s ILE 504 N -0.64 1.97 0.14 6.68 1.01 0.09 -1.78 121.20 128.66 3kvc s ILE 504 Ca 0.13 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.86 3kvc s ILE 504 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3kvc s ILE 504 CO 0.02 0.41 -0.13 -0.76 0.00 0.00 0.00 174.94 174.48 3kvc s LEU 505 N 1.30 2.89 0.00 2.97 1.43 -0.62 -0.21 118.68 126.45 3kvc s LEU 505 Ca 0.02 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3kvc s LEU 505 Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3kvc s LEU 505 CO -0.11 0.15 1.35 0.21 0.23 0.00 0.00 176.35 178.18 3kvc s ASN 506 N -2.43 6.90 0.47 2.29 3.84 0.11 -1.00 114.94 125.12 3kvc s ASN 506 Ca 0.21 2.07 0.23 0.00 0.21 0.00 0.00 52.86 55.59 3kvc s ASN 506 Cb -0.10 -2.56 1.19 0.00 -0.55 0.00 0.00 41.25 39.22 3kvc s ASN 506 CO 0.13 -0.68 1.97 0.00 -2.79 0.00 0.00 177.10 175.74 3kvc h ALA 507 N 7.63 1.28 -0.63 1.71 0.00 -1.43 0.24 119.26 128.05 3kvc h ALA 507 Ca -0.38 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.41 3kvc h ALA 507 Cb 1.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3kvc h ALA 507 CO 0.89 0.24 0.34 0.87 0.00 0.00 0.00 179.25 181.59 3kvc h LYS 508 N 0.00 0.62 0.00 0.00 1.79 -1.78 -3.39 116.57 113.82 3kvc h LYS 508 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3kvc h LYS 508 Cb 0.47 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3kvc h LYS 508 CO 0.03 0.41 0.00 -0.40 -1.08 0.00 0.00 179.45 178.41 3kvc n ASP 509 N -4.81 0.00 -1.82 0.86 5.75 -1.15 -5.01 116.55 110.38 3kvc n ASP 509 Ca 0.07 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.65 3kvc n ASP 509 Cb 0.16 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.00 -1.59 -4.78 -2.12 4.77 0.82 -4.77 117.00 109.33 3kvc n LEU 510 Ca 0.00 0.36 -0.37 0.00 -0.03 0.00 0.00 56.01 55.98 3kvc n LEU 510 Cb 0.50 -2.83 -0.04 0.00 -2.33 0.00 0.00 43.42 38.72 3kvc n LEU 510 CO 0.00 -0.83 0.73 -0.94 -1.33 0.00 0.00 177.39 175.02 3kvc s SER 511 N -2.53 6.82 0.11 -1.43 1.04 -1.24 -4.69 113.70 111.77 3kvc s SER 511 Ca 0.00 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.15 3kvc s SER 511 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 3kvc s SER 511 CO 0.00 -0.45 1.18 -0.70 0.98 0.00 0.00 173.24 174.26 3kvc s GLU 512 N -2.44 4.47 -0.19 4.02 2.12 -1.26 0.05 118.70 125.47 3kvc s GLU 512 Ca 0.57 1.79 0.02 0.00 0.36 0.00 0.00 54.97 57.71 3kvc s GLU 512 Cb -0.22 -3.31 -0.13 0.00 0.26 0.00 0.00 34.13 30.73 3kvc s GLU 512 CO 0.27 -0.17 -0.15 0.28 -0.54 0.00 0.00 175.26 174.95 3kvc n VAL 513 N 3.39 1.09 -3.61 3.70 0.31 0.71 -4.84 118.33 119.08 3kvc n VAL 513 Ca 0.07 -0.44 -0.05 0.00 -0.01 0.00 0.00 64.34 63.91 3kvc n VAL 513 Cb 0.46 -1.13 -0.02 0.00 -0.91 0.00 0.00 33.84 32.25 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 -2.38 -1.84 0.01 3.52 0.00 -0.86 -3.13 121.76 117.08 3kvc s ALA 514 Ca -0.24 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 3kvc s ALA 514 Cb 0.06 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 3kvc s ALA 514 CO 0.46 -0.83 0.11 -0.98 0.00 0.00 0.00 175.76 174.51 3kvc s ARG 515 N -3.03 0.46 -0.30 0.00 1.70 -0.34 -0.73 118.95 116.70 3kvc s ARG 515 Ca 0.09 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 54.93 3kvc s ARG 515 Cb -0.01 0.19 0.08 0.00 -0.57 0.00 0.00 34.95 34.64 3kvc s ARG 515 CO -0.04 -0.10 0.00 0.00 -1.08 0.00 0.00 175.30 174.07 3kvc s ALA 516 N -1.41 2.48 0.19 7.88 0.00 0.12 -0.60 121.76 130.41 3kvc s ALA 516 Ca -0.15 -2.04 -0.13 0.00 0.00 0.00 0.00 51.96 49.64 3kvc s ALA 516 Cb -0.08 -1.74 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 3kvc s ALA 516 CO 0.01 -1.49 0.57 -1.21 0.00 0.00 0.00 175.76 173.64 3kvc s GLU 517 N 1.13 3.94 0.25 0.00 2.02 0.16 -0.98 118.70 125.22 3kvc s GLU 517 Ca 0.03 0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.53 3kvc s GLU 517 Cb -0.19 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 3kvc s GLU 517 CO -0.09 0.40 -0.05 0.14 0.02 0.00 0.00 175.26 175.68 3kvc s VAL 518 N -1.62 1.40 -2.48 2.63 -7.23 -0.84 -0.95 120.40 111.31 3kvc s VAL 518 Ca 0.42 -2.09 0.23 0.00 -1.81 0.00 0.00 61.98 58.73 3kvc s VAL 518 Cb -0.13 -2.36 0.42 0.00 0.56 0.00 0.00 36.38 34.87 3kvc s VAL 518 CO 0.20 -0.35 1.41 -0.62 -0.31 0.00 0.00 175.10 175.43 3kvc n GLU 519 N -0.49 2.45 -4.39 4.82 -0.58 -1.26 -3.62 120.64 117.57 3kvc n GLU 519 Ca -0.06 -2.19 -0.20 0.00 -0.42 0.00 0.00 57.16 54.29 3kvc n GLU 519 Cb 0.63 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.53 1.78 0.57 -3.67 -4.36 -1.26 -4.74 121.20 107.99 3kvc s ILE 520 Ca 0.38 -2.20 -0.16 0.00 -0.26 0.00 0.00 60.65 58.41 3kvc s ILE 520 Cb 0.22 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 3kvc s ILE 520 CO 0.31 -0.47 1.05 0.21 0.24 0.00 0.00 174.94 176.28 3kvc s ASN 521 N -3.38 5.96 -0.07 4.36 2.47 -1.26 -4.02 114.94 118.99 3kvc s ASN 521 Ca 0.26 1.79 0.01 0.00 0.42 0.00 0.00 52.86 55.34 3kvc s ASN 521 Cb 0.00 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.29 3kvc s ASN 521 CO 0.09 -1.05 -0.07 -0.63 -3.72 0.00 0.00 177.10 171.73 3kvc s ILE 522 N -2.43 0.82 1.00 -5.21 1.01 -1.26 -5.01 121.20 110.11 3kvc s ILE 522 Ca 0.63 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.88 3kvc s ILE 522 Cb -0.15 -0.82 0.21 0.00 0.01 0.00 0.00 42.46 41.71 3kvc s ILE 522 CO 0.35 0.30 1.28 -2.84 0.00 0.00 0.00 174.94 174.03 3kvc s PRO 523 N 1.14 0.35 0.22 2.79 0.02 -1.26 -4.69 135.00 133.57 3kvc s PRO 523 Ca -0.07 -0.33 -0.31 0.00 0.02 0.00 0.00 61.00 60.32 3kvc s PRO 523 Cb -0.14 -1.80 -0.15 0.00 0.02 0.00 0.00 34.50 32.42 3kvc s PRO 523 CO -0.01 -2.62 1.12 1.55 -0.33 0.00 0.00 177.00 176.70 3kvc n VAL 524 N -3.93 1.28 -4.67 3.83 3.14 -0.03 -4.98 118.33 112.96 3kvc n VAL 524 Ca 0.15 -0.32 -0.25 0.00 -2.96 0.00 0.00 64.34 60.96 3kvc n VAL 524 Cb 0.59 -0.93 -0.14 0.00 -1.06 0.00 0.00 33.84 32.30 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 -0.48 1.49 -0.08 1.55 -4.23 -1.26 -3.74 115.64 108.89 3kvc s THR 525 Ca 0.68 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 3kvc s THR 525 Cb -0.79 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 3kvc s THR 525 CO 0.55 0.24 -0.12 0.49 -0.54 0.00 0.00 174.62 175.24 3kvc n PHE 526 N 2.13 0.37 -4.27 3.99 3.72 0.46 -4.60 117.46 119.27 3kvc n PHE 526 Ca -0.16 0.16 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3kvc n PHE 526 Cb 0.54 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.77 1.34 0.00 1.38 3.76 -0.98 -4.59 115.29 114.44 3kvc s HIS 527 Ca -0.10 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 3kvc s HIS 527 Cb 0.01 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.94 3kvc s HIS 527 CO 0.15 -0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 3kvc n GLY 528 N -0.34 0.88 3.66 -2.22 0.00 -1.26 -1.39 105.19 104.53 3kvc n GLY 528 Ca -0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.22 -0.27 0.99 0.05 0.15 -4.88 118.68 114.50 3kvc s LEU 529 Ca 0.00 -0.46 -0.02 0.00 0.05 0.00 0.00 54.13 53.71 3kvc s LEU 529 Cb 0.00 2.51 0.03 0.00 -2.05 0.00 0.00 46.19 46.68 3kvc s LEU 529 CO 0.00 -1.18 -0.04 0.12 -0.55 0.00 0.00 176.35 174.70 3kvc s PHE 530 N -3.88 3.14 -0.40 3.48 5.36 -1.26 -0.15 117.98 124.28 3kvc s PHE 530 Ca 0.09 -1.68 -0.21 0.00 -0.96 0.00 0.00 56.93 54.17 3kvc s PHE 530 Cb -0.03 -2.07 0.01 0.00 -0.34 0.00 0.00 43.02 40.59 3kvc s PHE 530 CO 0.00 -0.76 0.68 0.21 -1.46 0.00 0.00 175.22 173.90 3kvc s LYS 531 N 1.30 3.51 0.24 10.12 2.20 0.50 -4.93 119.74 132.68 3kvc s LYS 531 Ca -0.02 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3kvc s LYS 531 Cb -0.18 -3.88 -0.09 0.00 -1.51 0.00 0.00 37.83 32.17 3kvc s LYS 531 CO -0.03 -0.91 1.27 0.15 -0.36 0.00 0.00 175.35 175.48 3kvc s LYS 532 N 2.89 4.42 0.00 4.03 1.02 -1.26 -0.37 119.74 130.47 3kvc s LYS 532 Ca 0.25 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.29 3kvc s LYS 532 Cb -0.14 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3kvc s LYS 532 CO 0.18 -0.16 0.50 0.45 -0.92 0.00 0.00 175.35 175.39