#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkx s TYR 20 N 0.00 -0.26 0.43 0.00 -0.85 0.78 -4.82 117.35 112.64 1vkx s TYR 20 Ca 0.00 0.64 -0.21 0.00 -0.52 0.00 0.00 57.07 56.98 1vkx s TYR 20 Cb 0.00 0.07 -0.11 0.00 0.38 0.00 0.00 41.96 42.30 1vkx s TYR 20 CO 0.00 -0.15 0.96 0.08 -1.52 0.00 0.00 175.55 174.92 1vkx s VAL 21 N 0.47 4.28 -0.24 -3.49 1.01 -1.26 0.01 120.40 121.17 1vkx s VAL 21 Ca -0.03 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 1vkx s VAL 21 Cb -0.04 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1vkx s VAL 21 CO -0.02 -0.28 0.62 -0.70 0.00 0.00 0.00 175.10 174.71 1vkx s GLU 22 N -3.13 0.70 -0.51 2.72 2.12 -1.25 -4.93 118.70 114.41 1vkx s GLU 22 Ca 0.62 0.94 -0.23 0.00 0.36 0.00 0.00 54.97 56.66 1vkx s GLU 22 Cb -0.11 0.28 0.04 0.00 0.26 0.00 0.00 34.13 34.60 1vkx s GLU 22 CO 0.15 -0.11 0.83 0.42 -0.54 0.00 0.00 175.26 176.02 1vkx s ILE 23 N 0.70 4.56 -2.17 -3.70 1.01 -1.26 0.22 121.20 120.55 1vkx s ILE 23 Ca -0.03 0.18 0.18 0.00 0.00 0.00 0.00 60.65 60.99 1vkx s ILE 23 Cb -0.05 -4.43 0.44 0.00 0.01 0.00 0.00 42.46 38.43 1vkx s ILE 23 CO -0.05 -0.93 1.53 2.30 0.00 0.00 0.00 174.94 177.79 1vkx n ILE 24 N 6.07 0.18 -3.15 2.92 -5.35 -0.14 -4.69 119.36 115.20 1vkx n ILE 24 Ca 0.00 -0.27 0.05 0.00 -0.27 0.00 0.00 62.75 62.26 1vkx n ILE 24 Cb 0.47 0.20 -0.01 0.00 -1.74 0.00 0.00 39.64 38.56 1vkx n ILE 24 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1vkx s GLU 25 N -1.82 0.35 0.71 6.28 2.56 -1.15 -4.94 118.70 120.70 1vkx s GLU 25 Ca 0.29 0.60 -0.11 0.00 0.00 0.00 0.00 54.97 55.75 1vkx s GLU 25 Cb 0.15 0.33 0.02 0.00 2.00 0.00 0.00 34.13 36.63 1vkx s GLU 25 CO 0.23 -0.41 1.07 -0.65 -0.56 0.00 0.00 175.26 174.94 1vkx s GLN 26 N 2.91 2.81 0.20 4.30 -1.52 -1.26 -2.34 119.66 124.77 1vkx s GLN 26 Ca 0.10 0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 53.94 1vkx s GLN 26 Cb -0.12 -1.99 -0.08 0.00 -0.22 0.00 0.00 33.01 30.60 1vkx s GLN 26 CO -0.16 -1.13 1.05 -1.25 -0.25 0.00 0.00 175.29 173.55 1vkx s PRO 27 N -5.17 4.67 -0.70 2.91 0.04 -1.26 0.26 135.00 135.75 1vkx s PRO 27 Ca 0.58 1.66 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 1vkx s PRO 27 Cb -0.13 -3.27 -0.13 0.00 0.04 0.00 0.00 34.50 31.01 1vkx s PRO 27 CO 0.54 0.21 2.42 1.17 0.04 0.00 0.00 177.00 181.38 1vkx n LYS 28 N 1.98 0.67 0.00 4.56 4.81 0.37 -4.07 118.16 126.48 1vkx n LYS 28 Ca 0.01 -0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.06 1vkx n LYS 28 Cb 0.46 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.27 1vkx n LYS 28 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1vkx n GLN 29 N 8.61 0.00 -2.45 1.64 7.27 -1.26 -4.55 117.38 126.64 1vkx n GLN 29 Ca 0.46 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.12 1vkx n GLN 29 Cb 0.43 -0.08 -0.04 0.00 2.41 0.00 0.00 30.24 32.95 1vkx n GLN 29 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1vkx s ARG 30 N 0.00 4.60 0.00 3.69 0.52 -1.26 -3.18 118.95 123.31 1vkx s ARG 30 Ca 0.00 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 1vkx s ARG 30 Cb 0.00 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1vkx s ARG 30 CO 0.00 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1vkx n GLY 31 N 1.48 1.45 3.84 -3.53 0.00 -1.26 -5.00 105.19 102.17 1vkx n GLY 31 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1vkx n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1vkx s MET 32 N 0.00 3.90 -0.36 1.61 1.75 -1.26 -4.83 119.30 120.11 1vkx s MET 32 Ca 0.00 0.39 -0.10 0.00 -1.25 0.00 0.00 55.69 54.73 1vkx s MET 32 Cb 0.00 -3.20 0.03 0.00 2.84 0.00 0.00 34.83 34.49 1vkx s MET 32 CO 0.00 0.68 0.18 -0.98 -0.65 0.00 0.00 175.02 174.25 1vkx s ARG 33 N -1.14 2.85 0.30 4.11 1.70 -1.26 -1.32 118.95 124.19 1vkx s ARG 33 Ca 0.24 -1.05 -0.28 0.00 -0.47 0.00 0.00 55.73 54.17 1vkx s ARG 33 Cb -0.16 -3.65 -0.14 0.00 -0.57 0.00 0.00 34.95 30.42 1vkx s ARG 33 CO 0.14 -0.66 1.04 1.19 -1.08 0.00 0.00 175.30 175.93 1vkx n PHE 34 N 4.96 1.38 -4.50 5.89 3.72 -1.26 -4.81 117.46 122.83 1vkx n PHE 34 Ca -0.12 0.68 -0.34 0.00 -0.05 0.00 0.00 57.45 57.62 1vkx n PHE 34 Cb 0.46 -2.27 -0.11 0.00 -0.94 0.00 0.00 39.48 36.63 1vkx n PHE 34 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1vkx s ARG 35 N -1.61 2.90 0.62 -1.08 1.81 -1.12 -4.87 118.95 115.60 1vkx s ARG 35 Ca 0.58 -0.49 -0.15 0.00 -1.72 0.00 0.00 55.73 53.96 1vkx s ARG 35 Cb -0.68 -2.70 -0.02 0.00 -0.45 0.00 0.00 34.95 31.10 1vkx s ARG 35 CO 0.60 0.66 1.07 0.71 -0.68 0.00 0.00 175.30 177.66 1vkx s TYR 36 N -0.77 2.89 0.20 -0.53 1.51 -1.26 -1.67 117.35 117.71 1vkx s TYR 36 Ca 0.12 1.52 0.33 0.00 -1.01 0.00 0.00 57.07 58.02 1vkx s TYR 36 Cb -0.11 -3.05 1.76 0.00 -0.11 0.00 0.00 41.96 40.45 1vkx s TYR 36 CO 0.02 -1.29 2.00 -0.22 -1.11 0.00 0.00 175.55 174.95 1vkx h LYS 37 N 0.24 0.00 -0.17 -0.62 1.63 -1.93 -2.49 116.57 113.23 1vkx h LYS 37 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1vkx h LYS 37 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1vkx h LYS 37 CO 0.56 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.56 1vkx s GLU 39 N -1.82 2.08 0.00 0.00 2.02 -0.94 -4.85 118.70 115.19 1vkx s GLU 39 Ca 0.05 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.98 1vkx s GLU 39 Cb 0.03 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1vkx s GLU 39 CO 0.03 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.64 1vkx n GLY 40 N 4.18 0.00 1.84 -1.39 0.00 -1.26 -4.35 105.19 104.21 1vkx n GLY 40 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vkx n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vkx n ARG 41 N 0.24 -4.88 0.00 1.61 1.74 -1.26 -4.84 116.66 109.27 1vkx n ARG 41 Ca 0.00 3.56 0.00 0.00 -0.77 0.00 0.00 57.85 60.64 1vkx n ARG 41 Cb 0.00 -3.99 0.00 0.00 -1.02 0.00 0.00 32.46 27.45 1vkx n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1vkx n SER 42 N 0.06 0.00 -2.66 0.55 7.64 -1.26 -4.95 113.62 113.00 1vkx n SER 42 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1vkx n SER 42 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1vkx n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vkx n ALA 43 N 9.95 -1.49 0.00 -0.43 0.00 -1.26 -4.93 120.51 122.35 1vkx n ALA 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1vkx n ALA 43 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 1vkx n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vkx n GLY 44 N -1.14 0.60 3.51 0.00 0.00 -1.26 -5.13 105.19 101.77 1vkx n GLY 44 Ca -0.16 -2.30 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 1vkx n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vkx s SER 45 N -1.78 -0.36 0.12 1.61 1.04 -1.26 -4.82 113.70 108.25 1vkx s SER 45 Ca 0.00 -0.32 -0.31 0.00 0.48 0.00 0.00 55.95 55.80 1vkx s SER 45 Cb 0.00 0.60 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 1vkx s SER 45 CO 0.00 -1.05 1.33 -0.63 0.98 0.00 0.00 173.24 173.87 1vkx s ILE 46 N -3.83 3.45 0.34 -1.02 1.01 -0.14 -4.99 121.20 116.01 1vkx s ILE 46 Ca 0.06 1.07 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1vkx s ILE 46 Cb -0.01 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1vkx s ILE 46 CO -0.06 0.10 0.29 -2.16 0.00 0.00 0.00 174.94 173.11 1vkx s PRO 47 N 0.85 2.71 0.32 2.79 0.04 -1.26 -4.37 135.00 136.07 1vkx s PRO 47 Ca 0.62 -1.31 -0.06 0.00 0.04 0.00 0.00 61.00 60.29 1vkx s PRO 47 Cb -0.35 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1vkx s PRO 47 CO 0.31 0.09 0.60 0.20 0.04 0.00 0.00 177.00 178.25 1vkx s GLY 48 N -3.99 1.88 0.03 0.56 0.00 -1.21 0.14 107.32 104.73 1vkx s GLY 48 Ca 0.41 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.59 1vkx s GLY 48 CO 0.26 -0.35 0.59 -1.84 0.00 0.00 0.00 173.10 171.77 1vkx n GLU 49 N -1.02 -0.09 -2.76 2.90 0.28 0.73 -3.32 120.64 117.35 1vkx n GLU 49 Ca -0.01 0.59 -0.42 0.00 -0.16 0.00 0.00 57.16 57.15 1vkx n GLU 49 Cb 0.54 -0.87 -0.03 0.00 1.43 0.00 0.00 31.44 32.51 1vkx n GLU 49 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1vkx s ARG 50 N -3.99 4.18 -0.06 3.44 0.52 -1.26 -4.69 118.95 117.08 1vkx s ARG 50 Ca -0.03 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 55.99 1vkx s ARG 50 Cb 0.02 -3.67 0.11 0.00 0.52 0.00 0.00 34.95 31.94 1vkx s ARG 50 CO 0.13 -0.64 0.95 0.45 0.02 0.00 0.00 175.30 176.21 1vkx s SER 51 N 1.36 -0.34 -0.24 0.23 0.15 -1.21 -4.53 113.70 109.12 1vkx s SER 51 Ca 0.40 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.84 1vkx s SER 51 Cb -0.15 0.34 0.17 0.00 -1.71 0.00 0.00 66.02 64.67 1vkx s SER 51 CO 0.08 -0.51 1.23 0.28 1.20 0.00 0.00 173.24 175.52 1vkx s THR 52 N -2.63 0.00 0.56 6.45 -1.32 -1.25 -5.00 115.64 112.45 1vkx s THR 52 Ca 0.04 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.81 1vkx s THR 52 Cb -0.01 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 1vkx s THR 52 CO -0.06 0.00 1.92 -2.24 -2.21 0.00 0.00 174.62 172.02 1vkx h ASP 53 N 2.40 0.00 -0.18 8.08 2.03 -2.02 -2.04 116.42 124.69 1vkx h ASP 53 Ca -0.14 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.08 1vkx h ASP 53 Cb 1.18 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1vkx h ASP 53 CO 0.24 0.00 -0.19 0.74 -1.03 0.00 0.00 179.24 179.00 1vkx h THR 54 N 0.00 1.34 -2.69 1.15 2.02 -2.06 -3.39 112.91 109.28 1vkx h THR 54 Ca 0.28 -1.37 -0.60 0.00 0.77 0.00 0.00 66.41 65.50 1vkx h THR 54 Cb 1.29 1.81 -0.39 0.00 -1.74 0.00 0.00 68.15 69.12 1vkx h THR 54 CO -0.00 0.41 -0.82 -0.89 0.37 0.00 0.00 175.52 174.59 1vkx s THR 55 N -4.29 1.06 0.95 3.16 2.01 -0.90 -5.13 115.64 112.51 1vkx s THR 55 Ca -0.14 -2.80 -0.12 0.00 0.31 0.00 0.00 61.69 58.95 1vkx s THR 55 Cb 0.06 -1.73 0.16 0.00 0.01 0.00 0.00 72.50 71.00 1vkx s THR 55 CO 0.78 -1.07 1.09 -1.59 -0.69 0.00 0.00 174.62 173.13 1vkx s LYS 56 N -0.01 0.79 0.13 4.92 0.00 -0.82 -3.79 119.74 120.97 1vkx s LYS 56 Ca 0.25 0.78 -0.09 0.00 0.00 0.00 0.00 55.97 56.92 1vkx s LYS 56 Cb -0.09 -1.76 -0.01 0.00 0.00 0.00 0.00 37.83 35.98 1vkx s LYS 56 CO -0.11 -2.55 0.23 0.99 0.00 0.00 0.00 175.35 173.91 1vkx s THR 57 N -2.88 0.10 -0.03 3.79 2.01 -1.26 -4.91 115.64 112.47 1vkx s THR 57 Ca 0.65 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 1vkx s THR 57 Cb -0.19 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.71 1vkx s THR 57 CO 0.58 -0.46 0.29 -1.00 -0.69 0.00 0.00 174.62 173.34 1vkx s HIS 58 N -3.92 -0.18 0.20 4.92 3.76 -1.26 -3.30 115.29 115.51 1vkx s HIS 58 Ca 0.12 0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 1vkx s HIS 58 Cb 0.04 0.08 -0.16 0.00 1.11 0.00 0.00 32.58 33.65 1vkx s HIS 58 CO -0.05 -0.35 0.89 -2.30 -0.85 0.00 0.00 174.74 172.08 1vkx n PRO 59 N 1.53 0.71 -3.87 8.40 -0.02 -1.26 -4.59 135.00 135.89 1vkx n PRO 59 Ca -0.21 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.41 1vkx n PRO 59 Cb 0.56 -1.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 1vkx n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1vkx s THR 60 N -0.71 0.04 -0.00 3.45 2.01 -0.99 -1.35 115.64 118.10 1vkx s THR 60 Ca 0.67 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1vkx s THR 60 Cb -0.87 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1vkx s THR 60 CO 0.56 -0.20 -0.21 0.27 -0.69 0.00 0.00 174.62 174.36 1vkx s ILE 61 N -0.62 1.65 -0.46 1.82 -4.36 -1.13 -0.97 121.20 117.13 1vkx s ILE 61 Ca -0.07 -0.96 -0.05 0.00 -0.26 0.00 0.00 60.65 59.31 1vkx s ILE 61 Cb -0.04 -1.39 0.12 0.00 1.25 0.00 0.00 42.46 42.40 1vkx s ILE 61 CO 0.00 0.41 0.29 -0.75 0.24 0.00 0.00 174.94 175.13 1vkx s LYS 62 N -0.65 2.24 0.18 0.37 2.20 0.13 -2.12 119.74 122.10 1vkx s LYS 62 Ca 0.08 -1.90 -0.33 0.00 -0.36 0.00 0.00 55.97 53.45 1vkx s LYS 62 Cb -0.08 -3.72 -0.14 0.00 -1.51 0.00 0.00 37.83 32.38 1vkx s LYS 62 CO -0.00 -1.13 1.57 -0.89 -0.36 0.00 0.00 175.35 174.54 1vkx n ILE 63 N 4.54 0.15 -4.94 5.43 2.08 0.21 -3.76 119.36 123.07 1vkx n ILE 63 Ca -0.02 -0.04 -0.33 0.00 0.56 0.00 0.00 62.75 62.92 1vkx n ILE 63 Cb 0.41 -1.58 -0.14 0.00 -0.75 0.00 0.00 39.64 37.59 1vkx n ILE 63 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1vkx s ASN 64 N 0.84 3.89 0.00 4.38 0.02 0.10 -4.67 114.94 119.50 1vkx s ASN 64 Ca 0.77 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 52.36 1vkx s ASN 64 Cb -0.66 -0.84 0.00 0.00 0.02 0.00 0.00 41.25 39.77 1vkx s ASN 64 CO 0.39 0.33 0.00 0.61 0.02 0.00 0.00 177.10 178.45 1vkx n GLY 65 N 2.43 0.39 3.63 0.66 0.00 -1.26 -0.15 105.19 110.88 1vkx n GLY 65 Ca -0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1vkx n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vkx s TYR 66 N -2.00 -0.10 -0.10 1.61 6.14 -1.26 -4.07 117.35 117.56 1vkx s TYR 66 Ca 0.00 0.16 -0.11 0.00 0.64 0.00 0.00 57.07 57.76 1vkx s TYR 66 Cb 0.00 0.49 0.03 0.00 0.42 0.00 0.00 41.96 42.90 1vkx s TYR 66 CO 0.00 -0.10 0.31 0.99 0.64 0.00 0.00 175.55 177.39 1vkx s THR 67 N -1.19 0.01 -3.23 4.34 2.01 -1.26 -4.86 115.64 111.46 1vkx s THR 67 Ca 0.07 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1vkx s THR 67 Cb -0.01 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1vkx s THR 67 CO -0.06 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 1vkx n GLY 68 N 2.63 0.77 3.77 4.40 0.00 -1.04 -5.02 105.19 110.70 1vkx n GLY 68 Ca -0.14 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1vkx n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vkx s PRO 69 N -1.29 4.18 0.00 1.61 0.04 -1.26 -4.24 135.00 134.03 1vkx s PRO 69 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1vkx s PRO 69 Cb 0.00 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1vkx s PRO 69 CO 0.00 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1vkx n GLY 70 N 0.74 -1.14 3.24 0.56 0.00 -1.26 -4.15 105.19 103.17 1vkx n GLY 70 Ca 0.02 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1vkx n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vkx s THR 71 N -3.00 1.70 -0.78 2.61 -4.23 -0.01 -3.01 115.64 108.93 1vkx s THR 71 Ca 0.00 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1vkx s THR 71 Cb 0.00 -1.43 0.22 0.00 1.34 0.00 0.00 72.50 72.64 1vkx s THR 71 CO 0.00 0.44 0.75 0.55 -0.54 0.00 0.00 174.62 175.82 1vkx n VAL 72 N 2.43 2.62 -2.58 2.29 3.14 -0.36 -0.28 118.33 125.58 1vkx n VAL 72 Ca -0.16 -5.15 -0.41 0.00 -2.96 0.00 0.00 64.34 55.66 1vkx n VAL 72 Cb 0.53 -2.21 -0.05 0.00 -1.06 0.00 0.00 33.84 31.05 1vkx n VAL 72 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1vkx s ARG 73 N -1.88 4.68 0.15 1.45 6.06 -1.15 -4.32 118.95 123.94 1vkx s ARG 73 Ca 0.31 1.67 0.06 0.00 -2.50 0.00 0.00 55.73 55.26 1vkx s ARG 73 Cb 0.02 -3.26 -0.04 0.00 0.06 0.00 0.00 34.95 31.72 1vkx s ARG 73 CO -0.08 0.24 -0.12 0.42 -2.50 0.00 0.00 175.30 173.25 1vkx s ILE 74 N -0.73 1.33 0.04 4.11 1.01 -0.63 -0.10 121.20 126.22 1vkx s ILE 74 Ca 0.46 -1.98 -0.28 0.00 0.00 0.00 0.00 60.65 58.85 1vkx s ILE 74 Cb -0.29 -1.78 0.09 0.00 0.01 0.00 0.00 42.46 40.50 1vkx s ILE 74 CO 0.36 -0.61 0.85 -0.94 0.00 0.00 0.00 174.94 174.60 1vkx s SER 75 N -2.96 -0.38 0.10 3.58 1.04 -1.22 -2.57 113.70 111.29 1vkx s SER 75 Ca 0.15 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.40 1vkx s SER 75 Cb -0.01 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1vkx s SER 75 CO 0.03 -0.70 0.50 -0.76 0.98 0.00 0.00 173.24 173.28 1vkx s LEU 76 N -2.56 4.39 0.09 2.42 1.43 -1.26 -0.31 118.68 122.87 1vkx s LEU 76 Ca 0.05 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1vkx s LEU 76 Cb -0.01 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1vkx s LEU 76 CO -0.08 0.17 -0.07 0.68 0.23 0.00 0.00 176.35 177.28 1vkx s VAL 77 N -1.34 0.71 0.39 -1.59 -7.23 -0.28 -3.46 120.40 107.59 1vkx s VAL 77 Ca 0.33 -1.77 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 1vkx s VAL 77 Cb -0.16 -1.48 -0.13 0.00 0.56 0.00 0.00 36.38 35.17 1vkx s VAL 77 CO 0.18 -0.76 0.51 0.41 -0.31 0.00 0.00 175.10 175.13 1vkx n THR 78 N 0.25 1.65 0.71 5.32 -1.04 0.48 -2.60 114.28 119.06 1vkx n THR 78 Ca -0.14 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.49 1vkx n THR 78 Cb 0.59 -0.46 0.48 0.00 -1.82 0.00 0.00 70.33 69.13 1vkx n THR 78 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1vkx n LYS 79 N 0.72 0.11 -4.15 -2.82 4.81 -1.26 -4.61 118.16 110.96 1vkx n LYS 79 Ca 0.12 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.60 1vkx n LYS 79 Cb 0.38 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 1vkx n LYS 79 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1vkx s ASP 80 N -3.64 1.20 0.00 3.14 1.11 -1.26 -5.01 116.67 112.21 1vkx s ASP 80 Ca 0.10 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 52.02 1vkx s ASP 80 Cb 0.14 0.04 0.00 0.00 1.07 0.00 0.00 42.92 44.17 1vkx s ASP 80 CO 0.48 -0.32 0.00 -2.65 1.18 0.00 0.00 175.17 173.87 1vkx n PRO 81 N 0.58 0.00 -2.51 8.23 -0.02 -1.26 -3.42 135.00 136.60 1vkx n PRO 81 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 1vkx n PRO 81 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.04 1vkx n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1vkx s PRO 82 N 0.00 3.43 -1.24 0.52 0.02 -1.26 -4.84 135.00 131.63 1vkx s PRO 82 Ca 0.00 0.33 -0.20 0.00 0.02 0.00 0.00 61.00 61.15 1vkx s PRO 82 Cb 0.00 -4.06 0.03 0.00 0.02 0.00 0.00 34.50 30.49 1vkx s PRO 82 CO 0.00 -1.78 1.77 -1.01 -0.33 0.00 0.00 177.00 175.65 1vkx s HIS 83 N 5.38 2.53 0.40 6.54 3.76 -1.22 -4.67 115.29 128.01 1vkx s HIS 83 Ca 0.46 -1.00 -0.13 0.00 -0.15 0.00 0.00 55.06 54.25 1vkx s HIS 83 Cb -0.09 -4.55 -0.07 0.00 1.11 0.00 0.00 32.58 28.98 1vkx s HIS 83 CO 0.25 -1.66 0.79 1.03 -0.85 0.00 0.00 174.74 174.30 1vkx s ARG 84 N 4.91 3.87 0.05 1.40 0.52 -1.26 -4.53 118.95 123.90 1vkx s ARG 84 Ca 0.57 0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 1vkx s ARG 84 Cb 0.02 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 1vkx s ARG 84 CO 0.08 -0.01 1.60 -1.25 0.02 0.00 0.00 175.30 175.74 1vkx s PRO 85 N -3.62 4.21 0.35 3.54 0.04 -1.26 -0.39 135.00 137.88 1vkx s PRO 85 Ca 0.53 2.24 -0.25 0.00 0.04 0.00 0.00 61.00 63.56 1vkx s PRO 85 Cb -0.10 -3.62 -0.09 0.00 0.04 0.00 0.00 34.50 30.72 1vkx s PRO 85 CO 0.27 -0.71 1.00 -1.58 0.04 0.00 0.00 177.00 176.03 1vkx s HIS 86 N 2.68 3.50 0.43 0.56 2.46 -1.23 -4.80 115.29 118.89 1vkx s HIS 86 Ca 0.72 1.71 0.40 0.00 0.47 0.00 0.00 55.06 58.36 1vkx s HIS 86 Cb -0.37 -3.04 2.02 0.00 -0.13 0.00 0.00 32.58 31.06 1vkx s HIS 86 CO 0.31 -0.21 2.21 -1.00 -2.47 0.00 0.00 174.74 173.58 1vkx h PRO 87 N 2.92 0.00 -7.27 2.88 0.13 -1.93 -3.45 132.00 125.28 1vkx h PRO 87 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 1vkx h PRO 87 Cb 1.20 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.53 1vkx h PRO 87 CO 0.64 0.00 0.07 -1.01 -0.23 0.00 0.00 178.00 177.46 1vkx s HIS 88 N -3.96 0.57 -0.02 1.56 3.76 -1.26 -4.70 115.29 111.25 1vkx s HIS 88 Ca -0.03 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 55.57 1vkx s HIS 88 Cb 0.11 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.56 1vkx s HIS 88 CO 0.45 -4.01 -0.08 -1.21 -0.85 0.00 0.00 174.74 169.03 1vkx s GLU 89 N -5.15 0.77 0.25 1.40 2.02 0.22 -4.89 118.70 113.32 1vkx s GLU 89 Ca 0.69 -0.27 -0.22 0.00 0.02 0.00 0.00 54.97 55.19 1vkx s GLU 89 Cb -0.14 -0.74 -0.09 0.00 0.10 0.00 0.00 34.13 33.27 1vkx s GLU 89 CO 0.58 0.12 0.79 -0.51 0.02 0.00 0.00 175.26 176.26 1vkx s LEU 90 N 0.07 4.36 -0.04 1.80 1.43 -0.08 0.88 118.68 127.10 1vkx s LEU 90 Ca -0.01 1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 54.58 1vkx s LEU 90 Cb -0.06 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1vkx s LEU 90 CO 0.00 0.02 0.16 0.68 0.23 0.00 0.00 176.35 177.44 1vkx s VAL 91 N -1.52 0.03 -1.83 -1.59 -7.23 0.69 -4.41 120.40 104.54 1vkx s VAL 91 Ca 0.44 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1vkx s VAL 91 Cb -0.18 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1vkx s VAL 91 CO 0.22 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1vkx n GLY 92 N 2.36 -0.60 3.75 2.32 0.00 -1.26 0.13 105.19 111.89 1vkx n GLY 92 Ca -0.17 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1vkx n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vkx s LYS 93 N -1.55 4.60 -1.67 1.61 2.20 -1.25 -3.78 119.74 119.91 1vkx s LYS 93 Ca 0.00 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1vkx s LYS 93 Cb 0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1vkx s LYS 93 CO 0.00 0.39 0.00 -0.25 -0.36 0.00 0.00 175.35 175.13 1vkx n ASP 94 N 2.24 -5.04 -4.86 1.43 8.00 -1.26 -4.84 116.55 112.22 1vkx n ASP 94 Ca -0.03 0.24 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 1vkx n ASP 94 Cb 0.49 -4.08 -0.06 0.00 -0.02 0.00 0.00 41.12 37.45 1vkx n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vkx s ARG 96 N -1.28 0.82 -1.47 0.00 1.70 -0.69 -4.80 118.95 113.23 1vkx s ARG 96 Ca 0.18 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.44 1vkx s ARG 96 Cb -0.12 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1vkx s ARG 96 CO 0.08 -0.10 0.00 -0.25 -1.08 0.00 0.00 175.30 173.95 1vkx n ASP 97 N 2.76 -3.76 0.00 -2.89 8.00 -1.26 -2.10 116.55 117.30 1vkx n ASP 97 Ca -0.14 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1vkx n ASP 97 Cb 0.55 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1vkx n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vkx n GLY 98 N -0.32 3.21 3.49 0.44 0.00 -1.26 -4.94 105.19 105.80 1vkx n GLY 98 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1vkx n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vkx s TYR 99 N -2.80 2.76 -0.20 1.61 -0.85 -0.89 -0.90 117.35 116.08 1vkx s TYR 99 Ca 0.00 -0.17 -0.29 0.00 -0.52 0.00 0.00 57.07 56.09 1vkx s TYR 99 Cb 0.00 -1.67 0.00 0.00 0.38 0.00 0.00 41.96 40.67 1vkx s TYR 99 CO 0.00 0.17 1.12 -0.47 -1.52 0.00 0.00 175.55 174.85 1vkx s TYR 100 N -0.62 3.18 -0.13 -3.49 6.14 -1.06 -1.71 117.35 119.66 1vkx s TYR 100 Ca 0.09 1.32 -0.03 0.00 0.64 0.00 0.00 57.07 59.09 1vkx s TYR 100 Cb -0.11 -3.35 0.05 0.00 0.42 0.00 0.00 41.96 38.97 1vkx s TYR 100 CO 0.01 -0.89 0.05 -2.00 0.64 0.00 0.00 175.55 173.36 1vkx s GLU 101 N 3.23 0.33 0.21 4.97 2.12 0.14 -1.61 118.70 128.10 1vkx s GLU 101 Ca 0.48 -0.03 -0.13 0.00 0.36 0.00 0.00 54.97 55.64 1vkx s GLU 101 Cb -0.18 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.79 1vkx s GLU 101 CO 0.10 -0.50 0.44 0.00 -0.54 0.00 0.00 175.26 174.76 1vkx s ALA 102 N 2.03 -0.41 0.05 6.30 0.00 -1.26 -4.79 121.76 123.68 1vkx s ALA 102 Ca 0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1vkx s ALA 102 Cb -0.15 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1vkx s ALA 102 CO -0.07 -0.78 1.19 -0.51 0.00 0.00 0.00 175.76 175.59 1vkx s ASP 103 N -2.96 7.09 0.02 0.00 1.01 -1.26 -1.23 116.67 119.34 1vkx s ASP 103 Ca 0.17 1.98 -0.15 0.00 0.71 0.00 0.00 52.55 55.26 1vkx s ASP 103 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1vkx s ASP 103 CO 0.03 -0.47 0.43 -1.48 0.21 0.00 0.00 175.17 173.89 1vkx s LEU 104 N 1.14 4.47 -0.17 1.23 2.34 -1.16 -4.89 118.68 121.64 1vkx s LEU 104 Ca 0.58 0.99 -0.31 0.00 0.06 0.00 0.00 54.13 55.45 1vkx s LEU 104 Cb -0.29 -2.67 -0.08 0.00 -0.56 0.00 0.00 46.19 42.59 1vkx s LEU 104 CO 0.29 0.30 2.13 0.00 -1.06 0.00 0.00 176.35 178.00 1vkx h PRO 106 N 12.98 0.00 -1.11 0.00 0.13 -1.96 -3.27 132.00 138.77 1vkx h PRO 106 Ca -0.41 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.29 1vkx h PRO 106 Cb 1.26 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 1vkx h PRO 106 CO 0.96 0.01 0.54 -0.40 -0.23 0.00 0.00 178.00 178.88 1vkx n ASP 107 N -3.56 4.93 -3.57 1.44 5.75 -1.26 -2.50 116.55 117.79 1vkx n ASP 107 Ca -0.03 -3.26 -0.10 0.00 -0.01 0.00 0.00 54.79 51.40 1vkx n ASP 107 Cb 0.10 -0.85 -0.04 0.00 -1.03 0.00 0.00 41.12 39.29 1vkx n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vkx s ARG 108 N -2.53 0.60 0.00 0.11 1.70 -1.23 -5.08 118.95 112.52 1vkx s ARG 108 Ca 0.43 0.06 0.11 0.00 -0.47 0.00 0.00 55.73 55.87 1vkx s ARG 108 Cb 0.35 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.98 1vkx s ARG 108 CO 0.05 -0.21 0.61 -1.13 -1.08 0.00 0.00 175.30 173.54 1vkx n SER 109 N 0.54 1.05 -4.08 -2.89 3.41 -1.26 -4.70 113.62 105.69 1vkx n SER 109 Ca -0.09 -1.02 -0.32 0.00 -0.26 0.00 0.00 58.87 57.17 1vkx n SER 109 Cb 0.59 0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 65.03 1vkx n SER 109 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1vkx s ILE 110 N -1.67 2.33 -0.03 -1.33 1.01 -1.26 0.68 121.20 120.92 1vkx s ILE 110 Ca 0.08 -1.75 0.02 0.00 0.00 0.00 0.00 60.65 58.99 1vkx s ILE 110 Cb 0.09 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1vkx s ILE 110 CO 0.34 -0.17 -0.06 -1.38 0.00 0.00 0.00 174.94 173.68 1vkx s HIS 111 N 1.08 0.79 0.30 3.97 -3.43 -0.90 -4.98 115.29 112.13 1vkx s HIS 111 Ca -0.04 -0.21 0.07 0.00 -0.80 0.00 0.00 55.06 54.07 1vkx s HIS 111 Cb -0.20 -0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 30.29 1vkx s HIS 111 CO -0.05 -0.15 0.35 -1.12 -2.00 0.00 0.00 174.74 171.77 1vkx s SER 112 N 0.58 5.73 -0.30 7.38 0.01 -1.26 -2.86 113.70 122.98 1vkx s SER 112 Ca -0.08 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.94 1vkx s SER 112 Cb -0.12 -1.28 0.09 0.00 0.21 0.00 0.00 66.02 64.92 1vkx s SER 112 CO 0.00 -0.28 0.03 -0.36 0.41 0.00 0.00 173.24 173.04 1vkx s PHE 113 N -2.18 2.91 -1.55 2.43 0.08 -0.45 -4.95 117.98 114.27 1vkx s PHE 113 Ca 0.40 -2.36 0.12 0.00 0.12 0.00 0.00 56.93 55.21 1vkx s PHE 113 Cb -0.08 -2.24 0.42 0.00 -0.57 0.00 0.00 43.02 40.55 1vkx s PHE 113 CO 0.28 -0.89 1.30 1.04 -0.10 0.00 0.00 175.22 176.85 1vkx n GLN 114 N 4.51 2.43 -3.42 0.44 6.02 -1.26 -4.16 117.38 121.93 1vkx n GLN 114 Ca -0.03 -1.68 -0.27 0.00 -0.01 0.00 0.00 57.00 55.02 1vkx n GLN 114 Cb 0.42 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 1vkx n GLN 114 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1vkx n ASN 115 N 0.66 0.03 -3.79 1.08 3.02 -1.26 -4.84 115.26 110.15 1vkx n ASN 115 Ca 0.15 -2.52 -0.28 0.00 -0.03 0.00 0.00 54.58 51.91 1vkx n ASN 115 Cb 0.51 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.93 1vkx n ASN 115 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vkx s LEU 116 N -0.29 1.39 0.13 3.41 1.43 -1.26 -3.77 118.68 119.72 1vkx s LEU 116 Ca 0.32 -0.77 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1vkx s LEU 116 Cb 0.05 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1vkx s LEU 116 CO -0.18 -0.26 -0.20 -0.83 0.23 0.00 0.00 176.35 175.11 1vkx s GLY 117 N 1.77 1.68 -0.40 -3.19 0.00 0.34 -0.97 107.32 106.54 1vkx s GLY 117 Ca -0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 1vkx s GLY 117 CO -0.07 -1.40 0.18 -0.42 0.00 0.00 0.00 173.10 171.38 1vkx s ILE 118 N -1.23 3.06 -0.13 0.90 1.01 -1.26 -0.22 121.20 123.32 1vkx s ILE 118 Ca 0.18 -2.18 -0.15 0.00 0.00 0.00 0.00 60.65 58.49 1vkx s ILE 118 Cb -0.10 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1vkx s ILE 118 CO 0.10 -0.68 0.37 -1.58 0.00 0.00 0.00 174.94 173.15 1vkx s GLN 119 N 1.02 4.25 0.19 2.79 0.74 0.25 -2.81 119.66 126.09 1vkx s GLN 119 Ca 0.09 0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.81 1vkx s GLN 119 Cb -0.22 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1vkx s GLN 119 CO -0.05 0.25 0.20 0.00 -0.55 0.00 0.00 175.29 175.14 1vkx s VAL 121 N -1.88 4.11 0.23 0.00 -7.23 -1.26 -4.20 120.40 110.17 1vkx s VAL 121 Ca 0.32 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 1vkx s VAL 121 Cb -0.10 -2.86 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 1vkx s VAL 121 CO 0.25 0.33 1.47 -0.54 -0.31 0.00 0.00 175.10 176.30 1vkx s LYS 122 N -1.69 4.25 0.55 4.82 1.02 -1.26 -4.86 119.74 122.58 1vkx s LYS 122 Ca 0.21 2.31 0.43 0.00 0.02 0.00 0.00 55.97 58.94 1vkx s LYS 122 Cb -0.12 -3.12 1.64 0.00 -0.52 0.00 0.00 37.83 35.71 1vkx s LYS 122 CO 0.12 -0.47 1.69 -0.22 -0.92 0.00 0.00 175.35 175.55 1vkx h LYS 123 N 5.49 0.01 -0.04 1.68 1.63 -2.01 -1.08 116.57 122.25 1vkx h LYS 123 Ca -0.45 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.21 1vkx h LYS 123 Cb 1.21 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1vkx h LYS 123 CO 0.81 0.00 -0.61 0.07 -3.45 0.00 0.00 179.45 176.28 1vkx h ARG 124 N 0.01 0.13 -0.67 1.90 0.11 -2.05 -2.89 114.38 110.92 1vkx h ARG 124 Ca 0.76 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.75 1vkx h ARG 124 Cb 3.02 0.01 0.00 0.00 1.11 0.00 0.00 29.97 34.11 1vkx h ARG 124 CO -0.02 0.70 0.00 -0.25 0.10 0.00 0.00 179.97 180.49 1vkx n ASP 125 N -3.85 3.50 0.32 0.08 9.92 -0.41 -4.34 116.55 121.77 1vkx n ASP 125 Ca -0.02 -2.42 0.21 0.00 -0.53 0.00 0.00 54.79 52.04 1vkx n ASP 125 Cb 0.61 -0.53 1.05 0.00 -0.64 0.00 0.00 41.12 41.61 1vkx n ASP 125 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1vkx h LEU 126 N 2.50 0.00 0.12 0.64 6.46 -1.53 -2.73 115.31 120.78 1vkx h LEU 126 Ca 0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.41 1vkx h LEU 126 Cb 1.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1vkx h LEU 126 CO 0.22 0.00 -1.87 -0.08 -0.62 0.00 0.00 178.44 176.09 1vkx h GLU 127 N 0.00 0.26 -0.68 1.25 4.81 -1.84 -3.29 114.58 115.09 1vkx h GLU 127 Ca 0.00 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 58.85 1vkx h GLU 127 Cb 0.15 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1vkx h GLU 127 CO 0.00 1.15 0.45 0.37 -0.73 0.00 0.00 179.01 180.25 1vkx h GLN 128 N 0.07 0.64 0.30 1.92 4.15 -1.81 -1.36 115.11 119.02 1vkx h GLN 128 Ca -0.38 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.99 1vkx h GLN 128 Cb 2.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.59 1vkx h GLN 128 CO 0.11 0.43 -0.14 0.00 -1.93 0.00 0.00 178.83 177.30 1vkx h ALA 129 N 1.64 -0.62 0.00 3.38 0.00 -1.64 -1.69 119.26 120.32 1vkx h ALA 129 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vkx h ALA 129 Cb 0.32 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1vkx h ALA 129 CO -0.10 -0.59 0.19 -0.89 0.00 0.00 0.00 179.25 177.86 1vkx n ILE 130 N -3.85 0.92 0.04 0.00 2.08 -1.15 0.21 119.36 117.61 1vkx n ILE 130 Ca -0.05 0.68 -0.19 0.00 0.56 0.00 0.00 62.75 63.75 1vkx n ILE 130 Cb 0.16 -1.68 -0.14 0.00 -0.75 0.00 0.00 39.64 37.23 1vkx n ILE 130 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1vkx h SER 131 N 0.00 0.44 0.27 4.38 0.87 -1.17 -3.18 113.55 115.17 1vkx h SER 131 Ca 0.00 -0.93 -0.04 0.00 -1.23 0.00 0.00 61.79 59.59 1vkx h SER 131 Cb 0.39 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1vkx h SER 131 CO 0.00 1.34 -0.19 -0.61 -0.53 0.00 0.00 176.83 176.84 1vkx h GLN 132 N -0.38 0.00 -1.05 2.24 4.15 0.35 -0.85 115.11 119.58 1vkx h GLN 132 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1vkx h GLN 132 Cb 1.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1vkx h GLN 132 CO 0.14 0.19 0.00 0.54 -1.93 0.00 0.00 178.83 177.76 1vkx n ARG 133 N -4.05 0.93 0.00 1.69 5.12 0.11 -1.44 116.66 119.02 1vkx n ARG 133 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1vkx n ARG 133 Cb 0.26 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1vkx n ARG 133 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1vkx n ILE 134 N 0.46 0.00 -0.05 0.55 -5.35 -1.09 -3.51 119.36 110.37 1vkx n ILE 134 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 1vkx n ILE 134 Cb 0.43 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.31 1vkx n ILE 134 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1vkx h GLN 135 N 0.00 0.00 0.00 6.28 4.15 -0.82 -3.15 115.11 121.57 1vkx h GLN 135 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1vkx h GLN 135 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1vkx h GLN 135 CO 0.00 0.19 0.00 -2.37 -1.93 0.00 0.00 178.83 174.72 1vkx n THR 136 N -4.74 1.80 -2.41 2.39 5.66 -0.52 -4.83 114.28 111.62 1vkx n THR 136 Ca -0.02 0.45 -0.03 0.00 -3.05 0.00 0.00 64.05 61.40 1vkx n THR 136 Cb 0.10 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 1vkx n THR 136 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1vkx n ASN 137 N -1.46 -5.78 -3.65 1.09 4.05 -1.19 -5.06 115.26 103.25 1vkx n ASN 137 Ca 0.00 0.20 -0.27 0.00 0.45 0.00 0.00 54.58 54.96 1vkx n ASN 137 Cb 0.01 -3.80 -0.17 0.00 1.23 0.00 0.00 39.78 37.06 1vkx n ASN 137 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1vkx s ASN 138 N -2.26 2.66 -0.30 1.20 3.84 -1.23 -4.90 114.94 113.95 1vkx s ASN 138 Ca 0.10 -0.75 -0.15 0.00 0.21 0.00 0.00 52.86 52.27 1vkx s ASN 138 Cb -0.03 -0.39 0.18 0.00 -0.55 0.00 0.00 41.25 40.46 1vkx s ASN 138 CO 0.49 -0.34 1.16 0.21 -2.79 0.00 0.00 177.10 175.82 1vkx s ASN 139 N 2.02 -0.12 0.14 -4.21 3.84 -1.26 -4.46 114.94 110.89 1vkx s ASN 139 Ca 0.01 0.01 -0.16 0.00 0.21 0.00 0.00 52.86 52.94 1vkx s ASN 139 Cb -0.16 1.07 0.00 0.00 -0.55 0.00 0.00 41.25 41.61 1vkx s ASN 139 CO -0.11 -0.02 1.73 -0.65 -2.79 0.00 0.00 177.10 175.26 1vkx h PRO 140 N 7.06 0.57 -0.20 0.43 0.11 -1.97 -2.95 132.00 135.04 1vkx h PRO 140 Ca -0.11 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1vkx h PRO 140 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1vkx h PRO 140 CO -0.16 0.48 0.00 1.19 -0.21 0.00 0.00 178.00 179.30 1vkx n PHE 141 N -4.71 0.26 -3.89 0.65 3.72 -1.26 -4.97 117.46 107.25 1vkx n PHE 141 Ca 0.00 -0.13 -0.38 0.00 -0.05 0.00 0.00 57.45 56.89 1vkx n PHE 141 Cb 0.10 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1vkx n PHE 141 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1vkx n HIS 142 N 0.32 -1.68 -3.02 1.38 8.25 -1.12 -4.95 115.22 114.41 1vkx n HIS 142 Ca 0.15 0.31 -0.39 0.00 -0.26 0.00 0.00 57.72 57.52 1vkx n HIS 142 Cb 0.31 -3.02 -0.06 0.00 1.12 0.00 0.00 29.99 28.34 1vkx n HIS 142 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vkx s VAL 143 N -3.42 4.49 0.65 1.59 1.01 -1.26 -5.06 120.40 118.40 1vkx s VAL 143 Ca 0.41 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.85 1vkx s VAL 143 Cb -0.20 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1vkx s VAL 143 CO 0.92 0.50 1.19 -2.16 0.00 0.00 0.00 175.10 175.55 1vkx s PRO 144 N -0.92 2.65 0.38 2.72 0.04 -1.26 -4.86 135.00 133.75 1vkx s PRO 144 Ca 0.35 1.74 0.11 0.00 0.04 0.00 0.00 61.00 63.25 1vkx s PRO 144 Cb -0.22 -1.90 0.89 0.00 0.04 0.00 0.00 34.50 33.31 1vkx s PRO 144 CO 0.25 -1.44 1.91 0.82 0.04 0.00 0.00 177.00 178.58 1vkx h ILE 145 N 0.34 0.86 -0.88 0.56 1.08 -1.99 0.02 117.51 117.50 1vkx h ILE 145 Ca -0.49 -0.20 0.16 0.00 -0.39 0.00 0.00 64.86 63.93 1vkx h ILE 145 Cb 1.29 0.21 -0.10 0.00 -3.07 0.00 0.00 36.82 35.15 1vkx h ILE 145 CO 0.53 0.11 0.47 -0.08 -0.69 0.00 0.00 178.15 178.48 1vkx h GLU 146 N 0.60 0.62 0.00 2.37 4.81 -2.02 0.35 114.58 121.31 1vkx h GLU 146 Ca 0.39 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1vkx h GLU 146 Cb 0.67 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1vkx h GLU 146 CO -0.15 0.41 -0.86 1.49 -0.73 0.00 0.00 179.01 179.17 1vkx h GLU 147 N 0.64 0.03 0.00 1.92 4.57 -1.36 -3.20 114.58 117.18 1vkx h GLU 147 Ca 0.49 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1vkx h GLU 147 Cb 0.72 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1vkx h GLU 147 CO -0.38 0.87 0.00 1.96 -1.18 0.00 0.00 179.01 180.29 1vkx h GLN 148 N 0.02 0.00 -0.10 1.92 4.20 -0.51 -3.12 115.11 117.52 1vkx h GLN 148 Ca -0.02 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 1vkx h GLN 148 Cb 1.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1vkx h GLN 148 CO 0.12 0.00 -0.76 0.00 -0.67 0.00 0.00 178.83 177.52 1vkx h ARG 149 N 0.00 0.53 -6.37 1.46 3.08 -1.47 -3.46 114.38 108.16 1vkx h ARG 149 Ca 0.00 -0.44 -0.63 0.00 0.07 0.00 0.00 59.98 58.98 1vkx h ARG 149 Cb 0.40 0.09 0.10 0.00 0.08 0.00 0.00 29.97 30.64 1vkx h ARG 149 CO 0.00 1.07 0.10 0.41 -1.07 0.00 0.00 179.97 180.48 1vkx n GLY 150 N 0.63 -0.32 3.57 0.04 0.00 -1.18 -4.86 105.19 103.06 1vkx n GLY 150 Ca -0.05 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 1vkx n GLY 150 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vkx n ASP 151 N 1.59 0.13 -4.84 1.61 5.75 -1.26 -5.00 116.55 114.53 1vkx n ASP 151 Ca 0.12 0.77 -0.22 0.00 -0.01 0.00 0.00 54.79 55.45 1vkx n ASP 151 Cb 0.28 -1.32 0.07 0.00 -1.03 0.00 0.00 41.12 39.13 1vkx n ASP 151 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1vkx s TYR 152 N -1.60 2.06 -0.72 2.11 1.51 -1.26 -5.05 117.35 114.39 1vkx s TYR 152 Ca 0.74 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.61 1vkx s TYR 152 Cb -0.42 -2.80 0.20 0.00 -0.11 0.00 0.00 41.96 38.83 1vkx s TYR 152 CO 0.49 -1.31 0.61 -3.47 -1.11 0.00 0.00 175.55 170.76 1vkx n ASP 153 N -2.56 3.41 -0.37 2.29 -0.08 -1.26 -4.94 116.55 113.04 1vkx n ASP 153 Ca 0.12 -3.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 1vkx n ASP 153 Cb 0.60 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1vkx n ASP 153 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vkx n LEU 154 N 1.73 0.11 -0.32 -2.67 4.77 -1.26 -2.52 117.00 116.84 1vkx n LEU 154 Ca 0.23 -0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.22 1vkx n LEU 154 Cb 0.37 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1vkx n LEU 154 CO 0.32 0.03 0.24 0.59 -1.33 0.00 0.00 177.39 177.24 1vkx n ASN 155 N 0.18 1.51 -3.71 -1.43 3.02 -1.26 -4.93 115.26 108.64 1vkx n ASN 155 Ca 0.00 -1.25 -0.11 0.00 -0.03 0.00 0.00 54.58 53.18 1vkx n ASN 155 Cb 0.03 0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 1vkx n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vkx s ALA 156 N -1.81 -1.09 0.14 5.41 0.00 -1.05 -1.28 121.76 122.08 1vkx s ALA 156 Ca 0.12 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.57 1vkx s ALA 156 Cb 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1vkx s ALA 156 CO 0.38 -0.24 -0.12 0.14 0.00 0.00 0.00 175.76 175.91 1vkx s VAL 157 N 0.93 1.28 -0.09 0.00 -7.23 0.54 -4.15 120.40 111.68 1vkx s VAL 157 Ca -0.06 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1vkx s VAL 157 Cb -0.06 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1vkx s VAL 157 CO -0.08 -0.56 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.82 1vkx s ARG 158 N -3.14 2.62 0.36 4.82 0.52 -1.07 0.23 118.95 123.28 1vkx s ARG 158 Ca 0.13 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.35 1vkx s ARG 158 Cb -0.02 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.34 1vkx s ARG 158 CO 0.02 0.12 1.02 -0.51 0.02 0.00 0.00 175.30 175.98 1vkx s LEU 159 N 0.47 4.27 -0.56 2.53 1.43 -1.26 -1.13 118.68 124.43 1vkx s LEU 159 Ca -0.17 2.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 1vkx s LEU 159 Cb -0.17 -4.04 0.14 0.00 0.03 0.00 0.00 46.19 42.15 1vkx s LEU 159 CO 0.07 -0.30 0.33 0.00 0.23 0.00 0.00 176.35 176.68 1vkx s PHE 161 N -0.55 2.22 -0.30 0.00 0.40 -0.01 -3.40 117.98 116.35 1vkx s PHE 161 Ca 0.20 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1vkx s PHE 161 Cb -0.18 -3.88 0.09 0.00 0.51 0.00 0.00 43.02 39.56 1vkx s PHE 161 CO -0.06 -2.93 0.06 1.14 0.70 0.00 0.00 175.22 174.13 1vkx s GLN 162 N 4.28 1.00 0.21 0.44 -2.07 0.85 -0.68 119.66 123.69 1vkx s GLN 162 Ca 0.68 -1.17 -0.11 0.00 -1.82 0.00 0.00 55.36 52.94 1vkx s GLN 162 Cb -0.26 -2.34 -0.07 0.00 -1.09 0.00 0.00 33.01 29.25 1vkx s GLN 162 CO 0.27 -0.89 0.56 0.08 -1.32 0.00 0.00 175.29 173.98 1vkx s VAL 163 N 1.46 4.90 -0.24 3.63 1.01 -1.26 -2.92 120.40 126.97 1vkx s VAL 163 Ca 0.07 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1vkx s VAL 163 Cb -0.18 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1vkx s VAL 163 CO -0.18 0.02 -0.06 -0.89 0.00 0.00 0.00 175.10 173.99 1vkx s THR 164 N -1.71 1.64 0.00 3.92 2.01 0.61 0.09 115.64 122.19 1vkx s THR 164 Ca 0.45 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1vkx s THR 164 Cb -0.12 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1vkx s THR 164 CO 0.20 -0.09 0.00 1.33 -0.69 0.00 0.00 174.62 175.37 1vkx n VAL 165 N 4.63 0.00 -4.88 3.82 0.24 -0.51 -0.83 118.33 120.81 1vkx n VAL 165 Ca -0.12 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.85 1vkx n VAL 165 Cb 0.44 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 32.12 1vkx n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vkx s ARG 166 N -0.08 2.66 0.56 7.34 1.81 -1.26 0.10 118.95 130.09 1vkx s ARG 166 Ca 0.00 -0.70 -0.17 0.00 -1.72 0.00 0.00 55.73 53.15 1vkx s ARG 166 Cb 0.00 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 1vkx s ARG 166 CO 0.00 0.55 1.04 0.16 -0.68 0.00 0.00 175.30 176.37 1vkx s ASP 167 N -0.54 6.02 0.24 0.23 -4.77 -0.27 -4.86 116.67 112.73 1vkx s ASP 167 Ca 0.07 1.79 0.14 0.00 -3.30 0.00 0.00 52.55 51.25 1vkx s ASP 167 Cb -0.12 -2.53 0.88 0.00 -1.09 0.00 0.00 42.92 40.06 1vkx s ASP 167 CO 0.01 -1.00 1.03 -2.65 0.70 0.00 0.00 175.17 173.26 1vkx n PRO 168 N -1.79 -0.04 0.25 2.11 -0.02 -1.26 0.64 135.00 134.88 1vkx n PRO 168 Ca 0.08 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1vkx n PRO 168 Cb 0.53 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 1vkx n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vkx h ALA 169 N 1.30 -0.69 0.00 3.55 0.00 -2.03 -3.48 119.26 117.90 1vkx h ALA 169 Ca 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1vkx h ALA 169 Cb 1.48 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1vkx h ALA 169 CO -0.50 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1vkx n GLY 170 N 0.01 0.19 3.82 0.00 0.00 0.21 -5.16 105.19 104.26 1vkx n GLY 170 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1vkx n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vkx s ARG 171 N 0.00 2.99 0.43 1.61 0.52 -1.26 -4.65 118.95 118.60 1vkx s ARG 171 Ca 0.00 0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 55.90 1vkx s ARG 171 Cb 0.00 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.38 1vkx s ARG 171 CO 0.00 -1.06 1.33 -2.30 0.02 0.00 0.00 175.30 173.29 1vkx n PRO 172 N -3.08 2.04 -4.40 3.54 -0.02 -1.26 -1.12 135.00 130.70 1vkx n PRO 172 Ca 0.07 0.73 -0.26 0.00 -2.02 0.00 0.00 63.50 62.02 1vkx n PRO 172 Cb 0.54 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 1vkx n PRO 172 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vkx s LEU 173 N -2.03 1.56 -0.53 2.45 2.96 0.28 -4.68 118.68 118.69 1vkx s LEU 173 Ca 0.61 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.95 1vkx s LEU 173 Cb -0.49 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.35 1vkx s LEU 173 CO 0.58 -0.01 0.94 -1.48 -1.32 0.00 0.00 176.35 175.06 1vkx s LEU 174 N 0.98 4.08 0.69 -0.68 2.34 -1.26 -1.43 118.68 123.39 1vkx s LEU 174 Ca -0.08 -0.26 -0.11 0.00 0.06 0.00 0.00 54.13 53.74 1vkx s LEU 174 Cb -0.15 -2.90 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 1vkx s LEU 174 CO -0.00 -1.20 1.06 -0.76 -1.06 0.00 0.00 176.35 174.39 1vkx s LEU 175 N 3.92 3.08 0.32 1.48 1.02 0.11 -4.99 118.68 123.62 1vkx s LEU 175 Ca 0.32 1.48 -0.29 0.00 0.02 0.00 0.00 54.13 55.66 1vkx s LEU 175 Cb -0.12 -4.37 -0.10 0.00 0.02 0.00 0.00 46.19 41.61 1vkx s LEU 175 CO 0.21 -1.32 1.40 -0.89 0.02 0.00 0.00 176.35 175.77 1vkx s THR 176 N -3.12 2.50 0.10 5.49 2.01 -1.26 -4.38 115.64 116.98 1vkx s THR 176 Ca 0.57 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 1vkx s THR 176 Cb -0.13 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1vkx s THR 176 CO 0.54 0.10 1.19 -2.84 -0.69 0.00 0.00 174.62 172.92 1vkx s PRO 177 N -1.37 4.46 0.00 4.92 0.02 -1.26 -4.52 135.00 137.25 1vkx s PRO 177 Ca 0.54 1.78 0.08 0.00 0.02 0.00 0.00 61.00 63.41 1vkx s PRO 177 Cb -0.42 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 1vkx s PRO 177 CO 0.52 -0.18 -0.23 0.14 -0.33 0.00 0.00 177.00 176.91 1vkx s VAL 178 N 0.69 1.86 0.08 3.83 -7.23 0.14 -4.97 120.40 114.80 1vkx s VAL 178 Ca 0.56 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1vkx s VAL 178 Cb -0.30 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1vkx s VAL 178 CO 0.31 0.45 0.18 -0.76 -0.31 0.00 0.00 175.10 174.96 1vkx s LEU 179 N -0.76 4.18 0.21 1.32 2.01 -1.26 -0.83 118.68 123.55 1vkx s LEU 179 Ca 0.09 0.17 0.05 0.00 0.01 0.00 0.00 54.13 54.45 1vkx s LEU 179 Cb -0.09 -2.80 -0.03 0.00 0.01 0.00 0.00 46.19 43.28 1vkx s LEU 179 CO 0.00 0.16 0.23 -0.94 1.01 0.00 0.00 176.35 176.81 1vkx s SER 180 N -2.57 5.83 0.39 2.29 1.04 -0.48 -4.97 113.70 115.23 1vkx s SER 180 Ca 0.33 -0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.44 1vkx s SER 180 Cb -0.12 -1.59 -0.13 0.00 0.10 0.00 0.00 66.02 64.27 1vkx s SER 180 CO 0.26 -0.01 0.54 1.41 0.98 0.00 0.00 173.24 176.43 1vkx n HIS 181 N -0.94 -0.49 -1.08 5.02 8.25 -1.26 -4.22 115.22 120.50 1vkx n HIS 181 Ca -0.08 0.64 -0.34 0.00 -0.26 0.00 0.00 57.72 57.68 1vkx n HIS 181 Cb 0.56 -1.99 0.13 0.00 1.12 0.00 0.00 29.99 29.81 1vkx n HIS 181 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1vkx n PRO 182 N 0.70 0.14 -5.11 -0.41 -0.04 -1.26 -4.62 135.00 124.39 1vkx n PRO 182 Ca 0.12 0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.38 1vkx n PRO 182 Cb 0.38 -2.37 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 1vkx n PRO 182 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1vkx s ILE 183 N -2.14 2.48 -0.06 0.52 1.01 0.64 -4.50 121.20 119.15 1vkx s ILE 183 Ca 0.72 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1vkx s ILE 183 Cb -0.29 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1vkx s ILE 183 CO 0.52 0.58 -0.19 -0.36 0.00 0.00 0.00 174.94 175.49 1vkx s PHE 184 N -0.48 2.58 1.10 3.97 0.08 -1.19 -0.34 117.98 123.70 1vkx s PHE 184 Ca 0.06 -0.47 -0.14 0.00 0.12 0.00 0.00 56.93 56.51 1vkx s PHE 184 Cb -0.11 -1.64 0.20 0.00 -0.57 0.00 0.00 43.02 40.90 1vkx s PHE 184 CO 0.01 -0.04 0.76 -3.47 -0.10 0.00 0.00 175.22 172.37 1vkx n ASP 185 N 2.74 -1.56 -0.03 1.36 2.03 -0.41 -4.20 116.55 116.48 1vkx n ASP 185 Ca -0.17 -0.01 -0.03 0.00 0.52 0.00 0.00 54.79 55.10 1vkx n ASP 185 Cb 0.52 -1.23 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 1vkx n ASP 185 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1vkx n ASN 186 N -3.78 3.43 0.00 1.67 5.15 -0.44 -4.21 115.26 117.09 1vkx n ASN 186 Ca 0.04 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.92 1vkx n ASN 186 Cb 0.55 0.69 -0.05 0.00 -0.53 0.00 0.00 39.78 40.44 1vkx n ASN 186 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1vkx h ARG 187 N 0.00 0.02 -5.87 1.20 2.47 -1.89 -3.40 114.38 106.91 1vkx h ARG 187 Ca -0.16 -0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.98 1vkx h ARG 187 Cb 1.34 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1vkx h ARG 187 CO 0.01 0.02 1.52 0.00 0.56 0.00 0.00 179.97 182.08 1vkx n ALA 188 N -2.21 1.40 0.00 0.04 0.00 -1.26 -4.77 120.51 113.71 1vkx n ALA 188 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1vkx n ALA 188 Cb 0.07 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1vkx n ALA 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vkx n PRO 189 N 8.72 0.00 -0.00 0.00 -0.04 -1.26 0.14 135.00 142.56 1vkx n PRO 189 Ca 0.35 0.20 0.02 0.00 -0.04 0.00 0.00 63.50 64.03 1vkx n PRO 189 Cb 0.42 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1vkx n PRO 189 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1vkx n ASN 190 N -1.13 1.81 -0.52 3.54 6.94 -1.26 -4.57 115.26 120.08 1vkx n ASN 190 Ca 0.00 -0.35 0.06 0.00 -0.02 0.00 0.00 54.58 54.27 1vkx n ASN 190 Cb 0.11 1.10 0.15 0.00 -2.36 0.00 0.00 39.78 38.78 1vkx n ASN 190 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1vkx n THR 191 N -1.35 1.42 -1.21 5.53 5.66 0.12 -4.99 114.28 119.46 1vkx n THR 191 Ca 0.00 -1.36 -0.08 0.00 -3.05 0.00 0.00 64.05 59.57 1vkx n THR 191 Cb 0.10 0.23 0.06 0.00 -1.55 0.00 0.00 70.33 69.16 1vkx n THR 191 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vkx n ALA 192 N -0.15 -0.43 -3.12 1.79 0.00 -0.90 -4.58 120.51 113.11 1vkx n ALA 192 Ca 0.12 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 1vkx n ALA 192 Cb 0.53 -0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 1vkx n ALA 192 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1vkx s GLU 193 N -3.76 2.84 0.17 0.00 2.12 -1.26 -4.96 118.70 113.85 1vkx s GLU 193 Ca 0.20 -1.04 -0.33 0.00 0.36 0.00 0.00 54.97 54.16 1vkx s GLU 193 Cb -0.01 -3.49 -0.15 0.00 0.26 0.00 0.00 34.13 30.75 1vkx s GLU 193 CO 0.14 -0.59 1.33 1.28 -0.54 0.00 0.00 175.26 176.88 1vkx n LEU 194 N 4.87 2.22 -3.34 2.70 4.77 -1.26 -4.95 117.00 122.01 1vkx n LEU 194 Ca -0.13 1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.85 1vkx n LEU 194 Cb 0.46 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 1vkx n LEU 194 CO 0.33 -0.88 -0.11 -0.75 -1.33 0.00 0.00 177.39 174.65 1vkx s LYS 195 N -0.04 0.48 0.95 3.23 2.20 -1.26 -4.54 119.74 120.76 1vkx s LYS 195 Ca 0.75 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.99 1vkx s LYS 195 Cb -0.79 -0.49 0.08 0.00 -1.51 0.00 0.00 37.83 35.12 1vkx s LYS 195 CO 0.48 -1.09 0.66 -0.89 -0.36 0.00 0.00 175.35 174.15 1vkx n ILE 196 N 4.97 0.00 0.00 5.43 5.41 -1.26 -2.34 119.36 131.57 1vkx n ILE 196 Ca 0.04 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1vkx n ILE 196 Cb 0.48 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 1vkx n ILE 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vkx s ARG 198 N 0.27 2.02 -0.30 0.00 0.52 -1.26 -4.99 118.95 115.22 1vkx s ARG 198 Ca 0.00 -1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 53.85 1vkx s ARG 198 Cb 0.00 -2.49 0.19 0.00 0.52 0.00 0.00 34.95 33.17 1vkx s ARG 198 CO 0.00 -1.12 0.81 0.54 0.02 0.00 0.00 175.30 175.55 1vkx s VAL 199 N -2.89 -0.65 0.00 3.52 0.11 -1.26 -3.14 120.40 116.09 1vkx s VAL 199 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1vkx s VAL 199 Cb -0.06 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1vkx s VAL 199 CO 0.41 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.98 1vkx n ASN 200 N 5.32 0.00 -1.87 3.54 4.05 0.10 -4.76 115.26 121.65 1vkx n ASN 200 Ca 0.04 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.03 1vkx n ASN 200 Cb 0.55 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.57 1vkx n ASN 200 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1vkx n ARG 201 N -3.47 0.50 0.00 1.20 1.74 -1.26 -4.92 116.66 110.45 1vkx n ARG 201 Ca 0.00 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1vkx n ARG 201 Cb 0.00 1.25 0.00 0.00 -1.02 0.00 0.00 32.46 32.69 1vkx n ARG 201 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1vkx n ASN 202 N -1.20 0.00 0.04 0.55 0.23 -1.26 -4.86 115.26 108.75 1vkx n ASN 202 Ca -0.04 -0.51 -0.11 0.00 -0.53 0.00 0.00 54.58 53.39 1vkx n ASN 202 Cb 0.28 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.89 1vkx n ASN 202 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1vkx h SER 203 N 0.00 -0.14 0.00 0.53 0.02 -1.92 0.92 113.55 112.96 1vkx h SER 203 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1vkx h SER 203 Cb 0.25 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1vkx h SER 203 CO 0.00 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 1vkx n GLY 204 N 0.60 0.91 3.61 -3.77 0.00 -1.26 -1.91 105.19 103.37 1vkx n GLY 204 Ca -0.08 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1vkx n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vkx s SER 205 N -4.00 -0.38 0.31 1.61 1.04 -1.26 -3.41 113.70 107.60 1vkx s SER 205 Ca 0.00 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1vkx s SER 205 Cb 0.00 0.58 0.87 0.00 0.10 0.00 0.00 66.02 67.57 1vkx s SER 205 CO 0.00 -1.00 1.64 0.00 0.98 0.00 0.00 173.24 174.86 1vkx h LEU 207 N 0.21 0.44 0.00 0.00 4.07 -1.86 0.97 115.31 119.13 1vkx h LEU 207 Ca 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.49 1vkx h LEU 207 Cb 1.37 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1vkx h LEU 207 CO -0.67 0.59 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1vkx n GLY 208 N -0.69 1.94 0.70 0.83 0.00 0.35 -3.84 105.19 104.49 1vkx n GLY 208 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1vkx n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkx n GLY 209 N 0.00 0.00 3.26 -0.02 0.00 -0.50 -3.76 105.19 104.17 1vkx n GLY 209 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1vkx n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vkx s ASP 210 N 0.25 2.60 -0.24 1.61 1.11 -1.21 -4.82 116.67 115.97 1vkx s ASP 210 Ca 0.00 -0.46 -0.22 0.00 0.18 0.00 0.00 52.55 52.05 1vkx s ASP 210 Cb 0.00 -0.26 -0.02 0.00 1.07 0.00 0.00 42.92 43.72 1vkx s ASP 210 CO 0.00 0.23 0.68 -0.70 1.18 0.00 0.00 175.17 176.56 1vkx s GLU 211 N -0.83 4.15 0.21 8.23 2.12 -1.26 0.36 118.70 131.68 1vkx s GLU 211 Ca 0.08 0.67 0.08 0.00 0.36 0.00 0.00 54.97 56.17 1vkx s GLU 211 Cb -0.09 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1vkx s GLU 211 CO 0.00 -0.41 0.00 0.42 -0.54 0.00 0.00 175.26 174.73 1vkx s ILE 212 N 2.50 3.64 -0.11 -3.70 -1.09 -0.65 -4.93 121.20 116.86 1vkx s ILE 212 Ca 0.29 -1.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.13 1vkx s ILE 212 Cb -0.15 -2.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1vkx s ILE 212 CO 0.08 -0.21 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.04 1vkx s PHE 213 N -1.95 2.70 -0.05 3.97 0.40 -1.26 -3.41 117.98 118.38 1vkx s PHE 213 Ca 0.29 -0.81 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1vkx s PHE 213 Cb -0.08 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1vkx s PHE 213 CO 0.19 -0.29 -0.21 -1.17 0.70 0.00 0.00 175.22 174.44 1vkx s LEU 214 N 0.32 2.32 -0.83 -0.37 0.20 -0.55 -0.72 118.68 119.06 1vkx s LEU 214 Ca -0.14 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.31 1vkx s LEU 214 Cb -0.17 -1.44 0.31 0.00 -0.43 0.00 0.00 46.19 44.47 1vkx s LEU 214 CO 0.07 0.30 1.29 0.18 -0.29 0.00 0.00 176.35 177.90 1vkx n LEU 215 N 2.63 5.64 -4.48 -0.68 4.77 -1.19 -2.36 117.00 121.33 1vkx n LEU 215 Ca -0.17 -5.46 -0.28 0.00 -0.03 0.00 0.00 56.01 50.07 1vkx n LEU 215 Cb 0.52 -0.91 0.26 0.00 -2.33 0.00 0.00 43.42 40.96 1vkx n LEU 215 CO 0.25 2.08 0.51 0.00 -1.33 0.00 0.00 177.39 178.90 1vkx s ASP 217 N -2.51 5.58 -0.89 0.00 2.15 -0.99 -4.70 116.67 115.31 1vkx s ASP 217 Ca 0.69 0.56 -0.31 0.00 0.43 0.00 0.00 52.55 53.91 1vkx s ASP 217 Cb -0.25 -1.58 -0.20 0.00 -0.30 0.00 0.00 42.92 40.59 1vkx s ASP 217 CO 0.65 -1.02 2.62 1.17 -0.17 0.00 0.00 175.17 178.42 1vkx n LYS 218 N -2.48 0.16 -1.90 4.34 4.81 -1.26 -4.72 118.16 117.11 1vkx n LYS 218 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.43 1vkx n LYS 218 Cb 0.58 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1vkx n LYS 218 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1vkx n VAL 219 N 7.50 0.00 -3.80 3.15 0.24 0.23 -4.92 118.33 120.74 1vkx n VAL 219 Ca 0.61 -0.44 -0.25 0.00 -2.04 0.00 0.00 64.34 62.22 1vkx n VAL 219 Cb 0.10 -0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 31.82 1vkx n VAL 219 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1vkx s GLN 220 N -2.48 0.83 0.66 7.34 -0.21 -1.26 -4.51 119.66 120.04 1vkx s GLN 220 Ca 0.07 -0.06 0.33 0.00 0.02 0.00 0.00 55.36 55.72 1vkx s GLN 220 Cb -0.01 -1.30 1.79 0.00 1.00 0.00 0.00 33.01 34.49 1vkx s GLN 220 CO 0.05 -0.35 2.01 1.57 -2.12 0.00 0.00 175.29 176.45 1vkx h LYS 221 N 8.28 0.00 0.10 2.91 2.10 -1.91 -2.53 116.57 125.51 1vkx h LYS 221 Ca -0.21 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.24 1vkx h LYS 221 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1vkx h LYS 221 CO 0.31 0.00 -0.94 0.93 -2.00 0.00 0.00 179.45 177.74 1vkx h GLU 222 N 0.00 0.20 -3.14 0.07 3.07 -1.95 -3.41 114.58 109.42 1vkx h GLU 222 Ca 0.00 -0.34 -0.64 0.00 -0.50 0.00 0.00 59.36 57.88 1vkx h GLU 222 Cb 0.54 0.13 -0.41 0.00 -0.84 0.00 0.00 28.75 28.18 1vkx h GLU 222 CO -0.00 1.16 -0.47 0.34 -1.40 0.00 0.00 179.01 178.64 1vkx s ASP 223 N -6.86 5.07 -0.25 1.42 2.15 -0.95 -5.03 116.67 112.21 1vkx s ASP 223 Ca -0.18 -3.82 -0.35 0.00 0.43 0.00 0.00 52.55 48.63 1vkx s ASP 223 Cb 0.02 -1.70 0.16 0.00 -0.30 0.00 0.00 42.92 41.10 1vkx s ASP 223 CO 0.76 -0.11 1.30 -0.51 -0.17 0.00 0.00 175.17 176.45 1vkx s ILE 224 N -1.43 0.00 0.00 4.11 -1.16 -1.23 -4.42 121.20 117.07 1vkx s ILE 224 Ca 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.39 1vkx s ILE 224 Cb -0.05 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.02 1vkx s ILE 224 CO -0.16 0.00 0.00 -1.84 -2.81 0.00 0.00 174.94 170.13 1vkx n GLU 225 N 0.12 0.00 -1.69 3.50 0.28 -0.35 -4.88 120.64 117.62 1vkx n GLU 225 Ca 0.02 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.49 1vkx n GLU 225 Cb 0.58 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.39 1vkx n GLU 225 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1vkx n VAL 226 N 0.00 0.40 -2.98 3.84 0.31 -1.26 -2.24 118.33 116.40 1vkx n VAL 226 Ca 0.00 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 1vkx n VAL 226 Cb 0.00 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1vkx n VAL 226 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1vkx n TYR 227 N 5.74 2.40 -1.63 3.52 4.02 0.53 -0.91 117.16 130.84 1vkx n TYR 227 Ca 0.24 -2.69 -0.47 0.00 -0.01 0.00 0.00 57.90 54.97 1vkx n TYR 227 Cb 0.21 -1.19 -0.04 0.00 -0.02 0.00 0.00 39.34 38.31 1vkx n TYR 227 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1vkx n PHE 228 N 1.08 1.75 -3.82 -0.72 3.01 0.85 -3.86 117.46 115.75 1vkx n PHE 228 Ca 0.29 0.54 -0.07 0.00 1.01 0.00 0.00 57.45 59.22 1vkx n PHE 228 Cb 0.33 -2.38 0.01 0.00 -0.01 0.00 0.00 39.48 37.43 1vkx n PHE 228 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1vkx s THR 229 N -0.02 0.00 0.00 4.37 -1.32 0.32 0.40 115.64 119.40 1vkx s THR 229 Ca 0.72 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1vkx s THR 229 Cb -0.76 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1vkx s THR 229 CO 0.50 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 1vkx n GLY 230 N -0.53 0.00 3.01 6.08 0.00 -1.25 -0.16 105.19 112.33 1vkx n GLY 230 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1vkx n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vkx n PRO 231 N 0.00 -1.70 0.00 1.61 -0.02 -1.26 -4.59 135.00 129.04 1vkx n PRO 231 Ca 0.00 1.56 0.00 0.00 -2.02 0.00 0.00 63.50 63.04 1vkx n PRO 231 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1vkx n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vkx n GLY 232 N 2.03 1.02 0.81 -1.23 0.00 -1.26 -5.06 105.19 101.50 1vkx n GLY 232 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1vkx n GLY 232 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1vkx n TRP 233 N 0.00 -1.01 0.00 1.61 -0.00 -1.26 -5.04 117.44 111.74 1vkx n TRP 233 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.50 57.17 1vkx n TRP 233 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1vkx n TRP 233 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1vkx n GLU 234 N -0.13 0.00 -3.62 5.87 2.13 -1.26 -3.96 120.64 119.67 1vkx n GLU 234 Ca -0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.67 1vkx n GLU 234 Cb 0.12 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.77 1vkx n GLU 234 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vkx s ALA 235 N 0.00 -1.81 0.88 4.31 0.00 1.34 -4.93 121.76 121.56 1vkx s ALA 235 Ca 0.00 1.95 -0.13 0.00 0.00 0.00 0.00 51.96 53.77 1vkx s ALA 235 Cb 0.00 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.13 1vkx s ALA 235 CO 0.00 -0.33 1.21 1.03 0.00 0.00 0.00 175.76 177.68 1vkx s ARG 236 N 0.22 1.34 -0.02 0.00 1.81 -1.26 0.29 118.95 121.33 1vkx s ARG 236 Ca -0.00 -0.02 -0.08 0.00 -1.72 0.00 0.00 55.73 53.91 1vkx s ARG 236 Cb -0.05 -1.89 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 1vkx s ARG 236 CO 0.01 -2.00 0.26 0.20 -0.68 0.00 0.00 175.30 173.08 1vkx s GLY 237 N -4.56 2.26 -0.28 -3.53 0.00 -0.09 -4.46 107.32 96.65 1vkx s GLY 237 Ca 0.66 -0.55 -0.28 0.00 0.00 0.00 0.00 44.72 44.56 1vkx s GLY 237 CO 0.51 -0.33 0.99 -0.45 0.00 0.00 0.00 173.10 173.82 1vkx s SER 238 N -1.49 6.94 0.09 1.64 0.15 -0.96 -4.79 113.70 115.28 1vkx s SER 238 Ca 0.24 1.11 -0.06 0.00 0.70 0.00 0.00 55.95 57.94 1vkx s SER 238 Cb -0.13 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1vkx s SER 238 CO 0.13 -0.72 0.30 2.22 1.20 0.00 0.00 173.24 176.37 1vkx n PHE 239 N 6.47 -1.09 -3.78 3.44 -1.74 -1.26 -0.35 117.46 119.14 1vkx n PHE 239 Ca 0.10 -0.49 -0.10 0.00 -0.56 0.00 0.00 57.45 56.40 1vkx n PHE 239 Cb 0.47 0.24 -0.07 0.00 1.52 0.00 0.00 39.48 41.65 1vkx n PHE 239 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1vkx s SER 240 N -1.73 -0.01 0.46 5.98 0.15 -1.26 -5.00 113.70 112.29 1vkx s SER 240 Ca 0.06 -0.49 0.30 0.00 0.70 0.00 0.00 55.95 56.52 1vkx s SER 240 Cb -0.01 0.38 1.39 0.00 -1.71 0.00 0.00 66.02 66.06 1vkx s SER 240 CO 0.03 -0.74 1.70 1.56 1.20 0.00 0.00 173.24 176.99 1vkx h GLN 241 N 2.74 0.15 -0.30 5.44 4.20 -1.97 2.86 115.11 128.23 1vkx h GLN 241 Ca -0.34 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 1vkx h GLN 241 Cb 1.21 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1vkx h GLN 241 CO 0.52 0.10 -0.14 0.00 -0.67 0.00 0.00 178.83 178.64 1vkx h ALA 242 N 1.51 1.21 0.00 3.87 0.00 -1.95 -2.12 119.26 121.77 1vkx h ALA 242 Ca 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1vkx h ALA 242 Cb 2.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1vkx h ALA 242 CO -0.25 0.51 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 1vkx n ASP 243 N -4.19 0.20 -4.44 0.00 8.00 0.96 -4.50 116.55 112.58 1vkx n ASP 243 Ca 0.01 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 1vkx n ASP 243 Cb 0.34 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 1vkx n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vkx s VAL 244 N -3.09 4.39 -0.85 2.53 1.01 -0.80 -3.38 120.40 120.21 1vkx s VAL 244 Ca 0.06 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 1vkx s VAL 244 Cb 0.10 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 1vkx s VAL 244 CO 0.31 -1.41 1.72 -2.28 0.00 0.00 0.00 175.10 173.44 1vkx s HIS 245 N 3.87 2.02 -1.31 5.22 2.46 0.26 -4.24 115.29 123.57 1vkx s HIS 245 Ca 0.21 0.20 -0.07 0.00 0.47 0.00 0.00 55.06 55.87 1vkx s HIS 245 Cb -0.18 -4.29 0.01 0.00 -0.13 0.00 0.00 32.58 27.98 1vkx s HIS 245 CO 0.10 -1.96 1.14 0.54 -2.47 0.00 0.00 174.74 172.09 1vkx n ARG 246 N 9.00 -7.63 0.00 2.88 5.12 -1.26 -1.28 116.66 123.48 1vkx n ARG 246 Ca 0.29 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 57.04 1vkx n ARG 246 Cb 0.49 -5.85 0.00 0.00 -1.16 0.00 0.00 32.46 25.95 1vkx n ARG 246 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vkx n GLN 247 N -4.78 0.00 -0.13 5.56 6.02 -1.26 -4.68 117.38 118.11 1vkx n GLN 247 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 1vkx n GLN 247 Cb 0.58 -3.46 -0.11 0.00 1.02 0.00 0.00 30.24 28.28 1vkx n GLN 247 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1vkx n VAL 248 N -1.84 1.53 -4.53 5.09 0.31 -1.02 0.78 118.33 118.67 1vkx n VAL 248 Ca 0.00 -0.42 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 1vkx n VAL 248 Cb 0.00 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.07 1vkx n VAL 248 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vkx s ALA 249 N -2.50 3.07 -0.03 3.52 0.00 -0.41 -1.32 121.76 124.10 1vkx s ALA 249 Ca -0.36 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1vkx s ALA 249 Cb 0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1vkx s ALA 249 CO 0.55 0.53 -0.23 0.42 0.00 0.00 0.00 175.76 177.03 1vkx s ILE 250 N -0.68 1.85 -0.38 0.00 1.01 -1.00 0.93 121.20 122.93 1vkx s ILE 250 Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1vkx s ILE 250 Cb -0.11 -1.55 0.11 0.00 0.01 0.00 0.00 42.46 40.92 1vkx s ILE 250 CO 0.02 0.52 0.15 -0.69 0.00 0.00 0.00 174.94 174.94 1vkx s VAL 251 N -0.37 1.55 0.45 2.92 1.01 -1.22 -1.49 120.40 123.26 1vkx s VAL 251 Ca 0.04 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 59.88 1vkx s VAL 251 Cb -0.11 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1vkx s VAL 251 CO 0.01 -0.74 0.38 2.22 0.00 0.00 0.00 175.10 176.97 1vkx n PHE 252 N 4.12 -1.02 -5.09 5.22 1.16 -1.22 -4.72 117.46 115.91 1vkx n PHE 252 Ca 0.03 -1.85 -0.29 0.00 -1.87 0.00 0.00 57.45 53.47 1vkx n PHE 252 Cb 0.39 -0.38 -0.16 0.00 -1.61 0.00 0.00 39.48 37.72 1vkx n PHE 252 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1vkx s ARG 253 N -3.87 2.13 -0.03 3.97 1.70 0.52 -1.64 118.95 121.74 1vkx s ARG 253 Ca 0.29 -0.78 -0.36 0.00 -0.47 0.00 0.00 55.73 54.41 1vkx s ARG 253 Cb -0.02 -1.87 -0.14 0.00 -0.57 0.00 0.00 34.95 32.35 1vkx s ARG 253 CO 0.18 0.36 1.68 2.41 -1.08 0.00 0.00 175.30 178.86 1vkx n THR 254 N 2.92 0.27 -1.76 4.99 -1.04 1.14 -2.27 114.28 118.52 1vkx n THR 254 Ca -0.17 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.41 1vkx n THR 254 Cb 0.52 -1.48 0.05 0.00 -1.82 0.00 0.00 70.33 67.60 1vkx n THR 254 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1vkx s PRO 255 N 2.50 2.93 0.31 -2.82 0.04 -1.26 -1.41 135.00 135.29 1vkx s PRO 255 Ca 0.89 2.18 -0.29 0.00 0.04 0.00 0.00 61.00 63.82 1vkx s PRO 255 Cb -0.80 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.52 1vkx s PRO 255 CO 0.50 -1.34 1.35 -1.25 0.04 0.00 0.00 177.00 176.30 1vkx s PRO 256 N -3.07 4.32 0.77 0.56 0.04 -1.25 -3.71 135.00 132.67 1vkx s PRO 256 Ca 0.75 2.25 -0.11 0.00 0.04 0.00 0.00 61.00 63.93 1vkx s PRO 256 Cb -0.40 -3.08 0.05 0.00 0.04 0.00 0.00 34.50 31.12 1vkx s PRO 256 CO 0.45 -0.26 1.08 -0.47 0.04 0.00 0.00 177.00 177.84 1vkx s TYR 257 N -0.81 2.82 0.25 0.56 5.04 0.33 -4.89 117.35 120.66 1vkx s TYR 257 Ca 0.52 1.33 -0.05 0.00 -2.44 0.00 0.00 57.07 56.42 1vkx s TYR 257 Cb -0.40 -3.03 0.29 0.00 0.35 0.00 0.00 41.96 39.17 1vkx s TYR 257 CO 0.50 -1.67 1.91 0.00 -1.34 0.00 0.00 175.55 174.95 1vkx h ALA 258 N -1.03 1.28 -2.05 3.97 0.00 -1.92 -3.34 119.26 116.17 1vkx h ALA 258 Ca -0.46 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 1vkx h ALA 258 Cb 1.24 -0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1vkx h ALA 258 CO 0.56 0.56 0.36 0.34 0.00 0.00 0.00 179.25 181.08 1vkx s ASP 259 N -6.02 6.41 -0.36 0.00 -1.08 -1.26 -4.92 116.67 109.44 1vkx s ASP 259 Ca -0.13 -0.10 0.07 0.00 -0.52 0.00 0.00 52.55 51.87 1vkx s ASP 259 Cb 0.18 -2.39 0.61 0.00 -1.46 0.00 0.00 42.92 39.87 1vkx s ASP 259 CO 0.81 -0.92 1.70 -2.65 0.52 0.00 0.00 175.17 174.64 1vkx n PRO 260 N 6.72 2.34 -1.62 4.34 -0.02 -1.26 -4.29 135.00 141.22 1vkx n PRO 260 Ca 0.02 -3.08 -0.02 0.00 -2.02 0.00 0.00 63.50 58.40 1vkx n PRO 260 Cb 0.48 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1vkx n PRO 260 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1vkx n SER 261 N -0.96 -0.22 -3.90 2.55 2.88 -1.26 -4.76 113.62 107.93 1vkx n SER 261 Ca 0.45 -2.04 -0.25 0.00 -1.33 0.00 0.00 58.87 55.70 1vkx n SER 261 Cb 1.35 0.11 0.10 0.00 -0.75 0.00 0.00 64.21 65.02 1vkx n SER 261 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1vkx n LEU 262 N -0.18 -2.15 0.00 2.46 7.94 -1.26 -4.97 117.00 118.84 1vkx n LEU 262 Ca -0.13 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 1vkx n LEU 262 Cb 0.87 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1vkx n LEU 262 CO -0.09 -2.82 0.00 0.00 -1.11 0.00 0.00 177.39 173.37 1vkx n GLN 263 N -0.16 0.00 -4.37 1.96 3.00 -1.26 -4.56 117.38 111.99 1vkx n GLN 263 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.80 1vkx n GLN 263 Cb 0.48 -0.46 -0.10 0.00 0.00 0.00 0.00 30.24 30.15 1vkx n GLN 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vkx s ALA 264 N -1.00 2.17 -0.96 -1.58 0.00 -1.26 -4.74 121.76 114.39 1vkx s ALA 264 Ca 0.00 -1.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.04 1vkx s ALA 264 Cb 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 23.12 22.84 1vkx s ALA 264 CO 0.00 0.15 2.15 -1.25 0.00 0.00 0.00 175.76 176.81 1vkx s PRO 265 N -3.41 1.84 0.18 0.00 0.04 -1.26 -4.59 135.00 127.80 1vkx s PRO 265 Ca 0.22 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 1vkx s PRO 265 Cb -0.03 -4.98 -0.08 0.00 0.04 0.00 0.00 34.50 29.45 1vkx s PRO 265 CO 0.09 -4.43 1.23 0.54 0.04 0.00 0.00 177.00 174.47 1vkx s VAL 266 N 13.73 3.50 -0.61 -0.36 0.11 -1.18 -4.96 120.40 130.63 1vkx s VAL 266 Ca 0.80 1.23 0.06 0.00 -2.93 0.00 0.00 61.98 61.15 1vkx s VAL 266 Cb -0.07 -3.79 0.25 0.00 -1.53 0.00 0.00 36.38 31.24 1vkx s VAL 266 CO 0.10 0.18 0.72 -2.11 -3.33 0.00 0.00 175.10 170.66 1vkx n ARG 267 N 2.71 2.32 0.00 1.54 0.00 -1.26 -3.10 116.66 118.87 1vkx n ARG 267 Ca 0.05 -4.52 0.00 0.00 -0.00 0.00 0.00 57.85 53.39 1vkx n ARG 267 Cb 0.44 -2.15 0.00 0.00 -0.00 0.00 0.00 32.46 30.76 1vkx n ARG 267 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1vkx n VAL 268 N 0.93 0.00 -3.71 8.89 0.24 -1.21 -4.72 118.33 118.74 1vkx n VAL 268 Ca 0.29 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.47 1vkx n VAL 268 Cb 0.42 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 1vkx n VAL 268 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1vkx s SER 269 N -2.61 -0.33 -0.06 -1.34 0.01 0.77 -3.69 113.70 106.44 1vkx s SER 269 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1vkx s SER 269 Cb 0.00 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1vkx s SER 269 CO 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 173.24 173.43 1vkx s MET 270 N 1.36 2.79 -0.24 12.44 0.23 -1.21 -0.52 119.30 134.15 1vkx s MET 270 Ca -0.09 -0.54 -0.19 0.00 -1.03 0.00 0.00 55.69 53.85 1vkx s MET 270 Cb -0.10 -2.64 0.06 0.00 -1.53 0.00 0.00 34.83 30.63 1vkx s MET 270 CO -0.10 0.66 0.61 1.14 -2.03 0.00 0.00 175.02 175.30 1vkx s GLN 271 N -0.96 0.68 0.21 3.16 -2.07 -1.25 -2.24 119.66 117.18 1vkx s GLN 271 Ca 0.14 0.94 -0.32 0.00 -1.82 0.00 0.00 55.36 54.30 1vkx s GLN 271 Cb -0.11 0.25 -0.12 0.00 -1.09 0.00 0.00 33.01 31.94 1vkx s GLN 271 CO 0.03 -0.11 1.73 1.28 -1.32 0.00 0.00 175.29 176.90 1vkx n LEU 272 N 3.33 4.03 -4.35 2.60 4.32 -1.26 -0.35 117.00 125.31 1vkx n LEU 272 Ca -0.16 1.06 -0.31 0.00 -0.02 0.00 0.00 56.01 56.58 1vkx n LEU 272 Cb 0.56 -1.58 -0.15 0.00 -1.62 0.00 0.00 43.42 40.64 1vkx n LEU 272 CO 0.05 0.20 -0.56 -0.60 -1.22 0.00 0.00 177.39 175.26 1vkx s ARG 273 N 1.23 1.96 -0.44 3.23 3.52 -0.95 -1.98 118.95 125.51 1vkx s ARG 273 Ca 0.75 -1.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1vkx s ARG 273 Cb -0.50 -2.04 0.11 0.00 -1.56 0.00 0.00 34.95 30.96 1vkx s ARG 273 CO 0.32 0.53 0.28 0.50 -0.81 0.00 0.00 175.30 176.13 1vkx s ARG 274 N -1.05 2.35 0.01 5.12 3.52 0.24 -1.21 118.95 127.93 1vkx s ARG 274 Ca 0.12 -1.73 -0.02 0.00 -0.13 0.00 0.00 55.73 53.96 1vkx s ARG 274 Cb -0.10 -3.79 -0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1vkx s ARG 274 CO 0.01 -1.11 0.86 -2.30 -0.81 0.00 0.00 175.30 171.95 1vkx n PRO 275 N 4.81 -0.03 -0.36 5.12 -0.02 -1.26 0.90 135.00 144.16 1vkx n PRO 275 Ca -0.07 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1vkx n PRO 275 Cb 0.41 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1vkx n PRO 275 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vkx n SER 276 N -3.01 -0.90 0.10 2.55 3.41 -1.26 -2.01 113.62 112.50 1vkx n SER 276 Ca 0.00 1.64 0.10 0.00 -0.26 0.00 0.00 58.87 60.35 1vkx n SER 276 Cb 0.02 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 1vkx n SER 276 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vkx h ASP 277 N 0.00 0.00 0.00 4.04 2.03 -1.92 -3.48 116.42 117.09 1vkx h ASP 277 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1vkx h ASP 277 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1vkx h ASP 277 CO -0.80 0.07 0.00 0.54 -1.03 0.00 0.00 179.24 178.03 1vkx n ARG 278 N -2.72 0.00 -1.30 4.15 1.74 0.26 -5.02 116.66 113.77 1vkx n ARG 278 Ca -0.01 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 1vkx n ARG 278 Cb 0.59 -2.40 0.09 0.00 -1.02 0.00 0.00 32.46 29.72 1vkx n ARG 278 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1vkx n GLU 279 N -2.13 0.43 -4.34 5.56 2.13 -1.23 -4.55 120.64 116.52 1vkx n GLU 279 Ca 0.00 0.21 -0.17 0.00 0.66 0.00 0.00 57.16 57.85 1vkx n GLU 279 Cb 0.00 -2.23 -0.10 0.00 0.27 0.00 0.00 31.44 29.38 1vkx n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1vkx s LEU 280 N -3.31 2.00 0.38 4.31 1.02 -1.26 -0.59 118.68 121.23 1vkx s LEU 280 Ca 0.73 -1.30 0.08 0.00 0.02 0.00 0.00 54.13 53.65 1vkx s LEU 280 Cb -0.33 -0.17 -0.02 0.00 0.02 0.00 0.00 46.19 45.68 1vkx s LEU 280 CO 0.51 -0.61 0.35 -0.94 0.02 0.00 0.00 176.35 175.69 1vkx s SER 281 N -3.33 5.19 0.14 2.29 1.04 -0.84 -4.72 113.70 113.47 1vkx s SER 281 Ca 0.33 -0.62 -0.34 0.00 0.48 0.00 0.00 55.95 55.80 1vkx s SER 281 Cb 0.07 -0.74 -0.14 0.00 0.10 0.00 0.00 66.02 65.31 1vkx s SER 281 CO 0.11 -0.54 1.61 1.21 0.98 0.00 0.00 173.24 176.61 1vkx n GLU 282 N -1.49 2.18 -1.46 4.02 2.13 -1.26 -4.79 120.64 119.96 1vkx n GLU 282 Ca 0.02 0.79 -0.29 0.00 0.66 0.00 0.00 57.16 58.33 1vkx n GLU 282 Cb 0.61 -2.56 0.15 0.00 0.27 0.00 0.00 31.44 29.90 1vkx n GLU 282 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1vkx s PRO 283 N 1.19 0.83 0.40 5.31 0.04 -1.26 -4.81 135.00 136.70 1vkx s PRO 283 Ca 0.80 0.27 0.01 0.00 0.04 0.00 0.00 61.00 62.13 1vkx s PRO 283 Cb -0.67 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1vkx s PRO 283 CO 0.39 -2.40 0.05 -0.12 0.04 0.00 0.00 177.00 174.96 1vkx n MET 284 N -3.91 0.81 -3.61 4.56 1.56 -0.95 -5.00 117.12 110.59 1vkx n MET 284 Ca 0.07 -3.07 -0.39 0.00 -0.27 0.00 0.00 57.70 54.04 1vkx n MET 284 Cb 0.59 1.17 -0.08 0.00 2.15 0.00 0.00 33.22 37.06 1vkx n MET 284 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1vkx s GLU 285 N -3.46 2.83 0.02 2.12 2.56 -1.26 -3.36 118.70 118.14 1vkx s GLU 285 Ca 0.08 -2.49 -0.29 0.00 0.00 0.00 0.00 54.97 52.26 1vkx s GLU 285 Cb 0.00 -3.92 -0.04 0.00 2.00 0.00 0.00 34.13 32.18 1vkx s GLU 285 CO 0.05 -1.20 0.95 0.12 -0.56 0.00 0.00 175.26 174.62 1vkx s PHE 286 N 0.03 3.68 -1.18 5.30 2.19 -1.24 -4.90 117.98 121.87 1vkx s PHE 286 Ca 0.17 1.68 -0.04 0.00 0.33 0.00 0.00 56.93 59.07 1vkx s PHE 286 Cb -0.18 -3.08 0.20 0.00 -1.31 0.00 0.00 43.02 38.66 1vkx s PHE 286 CO -0.05 0.05 2.17 0.94 1.83 0.00 0.00 175.22 180.16 1vkx n GLN 287 N 3.65 4.85 -1.40 10.12 -0.06 0.32 -3.36 117.38 131.50 1vkx n GLN 287 Ca 0.05 -3.91 -0.49 0.00 -2.00 0.00 0.00 57.00 50.64 1vkx n GLN 287 Cb 0.51 -2.55 -0.11 0.00 -4.06 0.00 0.00 30.24 24.02 1vkx n GLN 287 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1vkx n TYR 288 N 0.96 1.05 -2.28 3.69 4.01 -1.13 -4.38 117.16 119.10 1vkx n TYR 288 Ca 0.56 0.48 -0.25 0.00 -0.16 0.00 0.00 57.90 58.53 1vkx n TYR 288 Cb 0.26 -2.40 0.07 0.00 -0.31 0.00 0.00 39.34 36.97 1vkx n TYR 288 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1vkx s LEU 289 N 7.84 2.89 -0.13 7.72 1.43 -0.80 -3.10 118.68 134.53 1vkx s LEU 289 Ca 1.22 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 54.33 1vkx s LEU 289 Cb -1.18 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1vkx s LEU 289 CO 0.53 -1.63 1.38 -2.16 0.23 0.00 0.00 176.35 174.70 1vkx s PRO 290 N -5.21 4.22 0.00 1.29 0.04 -1.26 -0.69 135.00 133.39 1vkx s PRO 290 Ca 0.61 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1vkx s PRO 290 Cb -0.10 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1vkx s PRO 290 CO 0.44 -0.74 0.00 -0.40 0.04 0.00 0.00 177.00 176.34