#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bv3 s ASP 8 N 0.00 0.67 0.41 2.98 3.68 -1.26 -5.06 116.67 118.09 2bv3 s ASP 8 Ca 0.00 0.30 0.12 0.00 2.13 0.00 0.00 52.55 55.09 2bv3 s ASP 8 Cb 0.00 0.63 0.95 0.00 -1.45 0.00 0.00 42.92 43.05 2bv3 s ASP 8 CO 0.00 -0.27 1.97 0.25 0.13 0.00 0.00 175.17 177.24 2bv3 h LEU 9 N 8.29 0.45 -1.13 -1.34 5.85 -1.99 0.22 115.31 125.66 2bv3 h LEU 9 Ca -0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2bv3 h LEU 9 Cb 1.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2bv3 h LEU 9 CO 0.19 0.27 0.00 0.11 -0.34 0.00 0.00 178.44 178.68 2bv3 h LYS 10 N 0.50 0.00 -0.65 1.25 1.57 -2.00 -2.98 116.57 114.27 2bv3 h LYS 10 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2bv3 h LYS 10 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2bv3 h LYS 10 CO -0.09 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.33 2bv3 n ARG 11 N -2.39 2.68 -3.42 3.15 1.74 0.07 -4.82 116.66 113.66 2bv3 n ARG 11 Ca 0.01 -2.58 -0.38 0.00 -0.77 0.00 0.00 57.85 54.13 2bv3 n ARG 11 Cb 0.17 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 2bv3 n ARG 11 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2bv3 s LEU 12 N -1.11 4.46 -0.38 0.55 2.96 -1.12 -1.21 118.68 122.83 2bv3 s LEU 12 Ca 0.47 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 2bv3 s LEU 12 Cb 0.25 -2.67 0.12 0.00 0.50 0.00 0.00 46.19 44.39 2bv3 s LEU 12 CO 0.33 0.27 0.16 -0.13 -1.32 0.00 0.00 176.35 175.66 2bv3 s ARG 13 N -0.83 1.12 -0.44 1.98 1.81 0.22 -4.21 118.95 118.60 2bv3 s ARG 13 Ca 0.25 -1.67 -0.24 0.00 -1.72 0.00 0.00 55.73 52.36 2bv3 s ARG 13 Cb -0.17 -2.35 0.02 0.00 -0.45 0.00 0.00 34.95 32.00 2bv3 s ARG 13 CO 0.14 -1.07 0.82 -0.80 -0.68 0.00 0.00 175.30 173.71 2bv3 s ASN 14 N 0.87 6.44 0.16 0.23 0.01 -1.26 -1.79 114.94 119.60 2bv3 s ASN 14 Ca 0.14 -0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 2bv3 s ASN 14 Cb -0.21 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2bv3 s ASN 14 CO -0.10 -0.93 -0.13 0.27 -1.51 0.00 0.00 177.10 174.70 2bv3 s ILE 15 N 3.38 1.47 0.03 0.60 -4.36 -0.46 -1.21 121.20 120.64 2bv3 s ILE 15 Ca 0.32 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.73 2bv3 s ILE 15 Cb -0.12 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 2bv3 s ILE 15 CO 0.23 -0.59 -0.18 -0.83 0.24 0.00 0.00 174.94 173.81 2bv3 s GLY 16 N -3.03 0.94 -0.23 6.27 0.00 0.01 -0.95 107.32 110.32 2bv3 s GLY 16 Ca 0.17 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 2bv3 s GLY 16 CO 0.04 -0.82 0.28 -0.42 0.00 0.00 0.00 173.10 172.18 2bv3 s ILE 17 N -0.69 5.27 0.03 0.90 -1.09 -1.26 -1.78 121.20 122.57 2bv3 s ILE 17 Ca 0.05 0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.98 2bv3 s ILE 17 Cb -0.08 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2bv3 s ILE 17 CO 0.01 0.28 -0.23 0.00 -1.23 0.00 0.00 174.94 173.76 2bv3 s ALA 18 N 1.35 2.36 -0.01 9.38 0.00 -0.15 -4.94 121.76 129.74 2bv3 s ALA 18 Ca 0.13 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2bv3 s ALA 18 Cb -0.14 -0.59 0.11 0.00 0.00 0.00 0.00 23.12 22.50 2bv3 s ALA 18 CO 0.07 0.54 1.21 0.00 0.00 0.00 0.00 175.76 177.58 2bv3 s ALA 19 N -0.80 -2.11 1.12 0.00 0.00 -1.26 -0.54 121.76 118.18 2bv3 s ALA 19 Ca 0.12 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2bv3 s ALA 19 Cb -0.10 0.34 0.26 0.00 0.00 0.00 0.00 23.12 23.62 2bv3 s ALA 19 CO 0.02 -0.98 1.05 -1.58 0.00 0.00 0.00 175.76 174.27 2bv3 s HIS 20 N -2.59 1.46 -0.72 0.00 2.46 -1.26 -4.90 115.29 109.74 2bv3 s HIS 20 Ca 0.13 1.24 0.22 0.00 0.47 0.00 0.00 55.06 57.12 2bv3 s HIS 20 Cb 0.03 -3.14 0.88 0.00 -0.13 0.00 0.00 32.58 30.22 2bv3 s HIS 20 CO -0.03 -3.65 1.68 0.44 -2.47 0.00 0.00 174.74 170.71 2bv3 n ILE 21 N -4.77 0.74 0.38 0.89 -6.64 -1.26 -3.04 119.36 105.66 2bv3 n ILE 21 Ca 0.04 0.12 0.04 0.00 -1.77 0.00 0.00 62.75 61.18 2bv3 n ILE 21 Cb 0.54 -0.94 0.01 0.00 -1.44 0.00 0.00 39.64 37.81 2bv3 n ILE 21 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2bv3 n ASP 22 N -1.97 1.35 0.04 7.28 2.03 -1.26 -4.76 116.55 119.26 2bv3 n ASP 22 Ca 0.04 -1.17 -0.07 0.00 0.52 0.00 0.00 54.79 54.11 2bv3 n ASP 22 Cb 0.26 0.30 0.11 0.00 -0.72 0.00 0.00 41.12 41.07 2bv3 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bv3 h ALA 23 N 1.60 0.84 0.00 -1.67 0.00 -1.88 -3.47 119.26 114.67 2bv3 h ALA 23 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bv3 h ALA 23 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bv3 h ALA 23 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2bv3 n GLY 24 N 0.13 1.53 0.34 0.00 0.00 -1.26 -4.68 105.19 101.24 2bv3 n GLY 24 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2bv3 n GLY 24 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bv3 h LYS 25 N 0.00 1.15 0.01 1.61 3.64 -1.91 -1.32 116.57 119.75 2bv3 h LYS 25 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2bv3 h LYS 25 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 2bv3 h LYS 25 CO 0.00 0.76 -0.01 1.15 -2.27 0.00 0.00 179.45 179.08 2bv3 h THR 26 N 1.18 1.54 -0.16 1.00 2.02 -1.97 -1.33 112.91 115.19 2bv3 h THR 26 Ca 0.33 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 2bv3 h THR 26 Cb -0.11 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2bv3 h THR 26 CO -0.08 0.47 -0.18 0.00 0.37 0.00 0.00 175.52 176.10 2bv3 h THR 27 N -0.84 1.21 -0.28 3.16 1.03 -1.99 0.84 112.91 116.04 2bv3 h THR 27 Ca -0.00 -0.96 -0.10 0.00 -0.01 0.00 0.00 66.41 65.34 2bv3 h THR 27 Cb 0.78 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 69.13 2bv3 h THR 27 CO 0.00 0.30 -0.23 0.74 -0.01 0.00 0.00 175.52 176.32 2bv3 h THR 28 N 0.26 1.26 0.01 0.00 2.02 -1.26 -1.95 112.91 113.24 2bv3 h THR 28 Ca 0.05 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2bv3 h THR 28 Cb 0.47 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2bv3 h THR 28 CO 0.03 0.40 -0.00 0.74 0.37 0.00 0.00 175.52 177.06 2bv3 h THR 29 N 0.47 1.37 -0.56 3.16 2.02 -0.29 -2.50 112.91 116.59 2bv3 h THR 29 Ca 0.07 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 2bv3 h THR 29 Cb 0.66 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2bv3 h THR 29 CO 0.05 0.29 0.08 1.05 0.37 0.00 0.00 175.52 177.36 2bv3 h GLU 30 N -0.49 0.89 -0.57 6.66 -0.00 -0.87 -0.62 114.58 119.58 2bv3 h GLU 30 Ca -0.00 -0.22 -0.09 0.00 -0.00 0.00 0.00 59.36 59.05 2bv3 h GLU 30 Cb 0.48 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 29.09 2bv3 h GLU 30 CO 0.00 0.84 -0.01 0.00 -0.00 0.00 0.00 179.01 179.84 2bv3 h ARG 31 N 0.84 1.01 -0.13 1.06 2.47 -1.42 0.25 114.38 118.47 2bv3 h ARG 31 Ca 0.17 -0.33 0.05 0.00 -1.26 0.00 0.00 59.98 58.61 2bv3 h ARG 31 Cb 0.38 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 2bv3 h ARG 31 CO 0.01 1.01 -0.28 0.82 0.56 0.00 0.00 179.97 182.09 2bv3 h ILE 32 N 0.90 0.36 -0.33 2.04 2.04 -0.98 0.12 117.51 121.66 2bv3 h ILE 32 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2bv3 h ILE 32 Cb 0.56 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2bv3 h ILE 32 CO 0.03 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.33 2bv3 h LEU 33 N -0.35 0.36 0.64 1.44 4.07 -0.90 -0.14 115.31 120.42 2bv3 h LEU 33 Ca 0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 2bv3 h LEU 33 Cb 0.50 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.16 2bv3 h LEU 33 CO -0.33 0.26 -0.31 0.22 -1.08 0.00 0.00 178.44 177.21 2bv3 h TYR 34 N 0.42 -0.79 -0.80 1.13 3.20 -0.27 -2.64 116.97 117.22 2bv3 h TYR 34 Ca 0.12 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2bv3 h TYR 34 Cb -0.01 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2bv3 h TYR 34 CO -0.00 -0.45 0.44 1.88 -1.64 0.00 0.00 178.16 178.39 2bv3 h TYR 35 N -1.00 1.09 0.00 -3.82 -1.99 -0.36 -2.42 116.97 108.46 2bv3 h TYR 35 Ca -0.09 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.62 2bv3 h TYR 35 Cb 0.69 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2bv3 h TYR 35 CO -0.01 0.75 0.00 1.79 -0.00 0.00 0.00 178.16 180.70 2bv3 h THR 36 N 1.12 0.00 -0.37 -2.88 1.35 -1.09 -3.25 112.91 107.78 2bv3 h THR 36 Ca 0.28 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2bv3 h THR 36 Cb 0.02 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2bv3 h THR 36 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 2bv3 n GLY 37 N 0.37 2.69 0.24 5.82 0.00 -0.92 -4.30 105.19 109.09 2bv3 n GLY 37 Ca 0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2bv3 n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bv3 h ARG 38 N 2.22 0.82 -6.48 1.61 3.08 -1.57 -3.34 114.38 110.72 2bv3 h ARG 38 Ca 0.00 -0.29 -0.53 0.00 0.07 0.00 0.00 59.98 59.22 2bv3 h ARG 38 Cb 0.75 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.75 2bv3 h ARG 38 CO 0.00 0.91 0.75 0.42 -1.07 0.00 0.00 179.97 180.98 2bv3 s ILE 39 N -4.88 3.52 0.00 2.04 1.01 -1.26 -4.00 121.20 117.63 2bv3 s ILE 39 Ca -0.12 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2bv3 s ILE 39 Cb 0.11 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2bv3 s ILE 39 CO 0.82 0.05 0.00 1.41 0.00 0.00 0.00 174.94 177.22 2bv3 n HIS 40 N 4.47 0.00 -1.27 3.97 -0.00 -1.26 -5.14 115.22 115.99 2bv3 n HIS 40 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2bv3 n HIS 40 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2bv3 n HIS 40 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2bv3 n LYS 41 N 0.00 0.66 0.04 -0.41 2.85 -1.25 -5.23 118.16 114.81 2bv3 n LYS 41 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2bv3 n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2bv3 n LYS 41 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2bv3 n ARG 61 N -0.71 0.00 -2.39 -1.58 0.00 -1.26 -4.91 116.66 105.81 2bv3 n ARG 61 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2bv3 n ARG 61 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 32.46 32.30 2bv3 n ARG 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2bv3 s GLY 62 N -4.91 0.86 0.03 5.14 0.00 -1.26 -4.98 107.32 102.20 2bv3 s GLY 62 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 2bv3 s GLY 62 CO 0.00 2.82 -0.02 -0.26 0.00 0.00 0.00 173.10 175.64 2bv3 s ILE 63 N 6.17 0.15 -0.39 0.90 -5.25 -1.26 -5.11 121.20 116.41 2bv3 s ILE 63 Ca 0.51 -1.23 -0.19 0.00 -0.99 0.00 0.00 60.65 58.75 2bv3 s ILE 63 Cb -0.11 -0.75 0.01 0.00 2.95 0.00 0.00 42.46 44.57 2bv3 s ILE 63 CO 0.24 -0.68 0.57 -0.89 -1.79 0.00 0.00 174.94 172.39 2bv3 s THR 64 N -2.40 4.94 -0.77 8.37 2.01 -1.26 -4.97 115.64 121.56 2bv3 s THR 64 Ca -0.07 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 2bv3 s THR 64 Cb -0.03 -4.08 -0.17 0.00 0.01 0.00 0.00 72.50 68.23 2bv3 s THR 64 CO -0.04 -0.40 2.07 2.30 -0.69 0.00 0.00 174.62 177.85 2bv3 n ILE 65 N 5.61 0.00 -3.37 1.82 -5.35 -1.26 -4.87 119.36 111.94 2bv3 n ILE 65 Ca -0.03 -0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 61.99 2bv3 n ILE 65 Cb 0.48 -0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 2bv3 n ILE 65 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bv3 s THR 66 N 6.87 5.37 -0.30 7.28 -4.23 -1.26 -4.94 115.64 124.43 2bv3 s THR 66 Ca 1.04 -2.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2bv3 s THR 66 Cb -0.96 -4.35 0.19 0.00 1.34 0.00 0.00 72.50 68.72 2bv3 s THR 66 CO 0.38 -0.99 0.78 0.00 -0.54 0.00 0.00 174.62 174.25 2bv3 s ALA 67 N 0.34 -2.85 0.35 3.99 0.00 -1.26 -5.06 121.76 117.27 2bv3 s ALA 67 Ca 0.16 1.50 0.15 0.00 0.00 0.00 0.00 51.96 53.77 2bv3 s ALA 67 Cb -0.14 -2.43 1.07 0.00 0.00 0.00 0.00 23.12 21.63 2bv3 s ALA 67 CO -0.07 -1.57 1.69 0.00 0.00 0.00 0.00 175.76 175.81 2bv3 h ALA 68 N 7.90 2.01 -3.42 0.00 0.00 -1.92 -3.34 119.26 120.49 2bv3 h ALA 68 Ca -0.14 0.16 -0.40 0.00 0.00 0.00 0.00 54.91 54.52 2bv3 h ALA 68 Cb 1.17 0.11 -0.35 0.00 0.00 0.00 0.00 17.79 18.73 2bv3 h ALA 68 CO 0.09 -0.57 -0.77 0.54 0.00 0.00 0.00 179.25 178.54 2bv3 s VAL 69 N -5.64 0.44 -0.09 0.00 0.11 -1.26 -1.04 120.40 112.92 2bv3 s VAL 69 Ca -0.10 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2bv3 s VAL 69 Cb 0.29 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 2bv3 s VAL 69 CO 0.79 0.22 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.69 2bv3 s THR 70 N 1.15 2.49 -0.01 5.04 2.01 -0.33 -4.46 115.64 121.53 2bv3 s THR 70 Ca -0.08 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 2bv3 s THR 70 Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 2bv3 s THR 70 CO -0.01 0.56 0.10 0.28 -0.69 0.00 0.00 174.62 174.86 2bv3 s THR 71 N 0.02 4.90 0.34 -0.82 -1.32 -0.16 -0.53 115.64 118.07 2bv3 s THR 71 Ca -0.07 -0.34 -0.09 0.00 -1.21 0.00 0.00 61.69 59.98 2bv3 s THR 71 Cb -0.15 -3.25 0.02 0.00 -1.51 0.00 0.00 72.50 67.61 2bv3 s THR 71 CO 0.05 0.35 0.58 0.00 -2.21 0.00 0.00 174.62 173.40 2bv3 s PHE 73 N -3.05 1.93 -0.16 0.00 0.40 -1.26 -0.77 117.98 115.08 2bv3 s PHE 73 Ca 0.24 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.05 2bv3 s PHE 73 Cb -0.02 -1.27 0.07 0.00 0.51 0.00 0.00 43.02 42.31 2bv3 s PHE 73 CO 0.15 -0.12 0.20 -0.46 0.70 0.00 0.00 175.22 175.69 2bv3 s TRP 74 N -0.24 -0.24 -1.23 0.36 -0.11 -0.51 -4.63 118.94 112.34 2bv3 s TRP 74 Ca 0.01 0.41 -0.17 0.00 1.22 0.00 0.00 56.10 57.57 2bv3 s TRP 74 Cb -0.10 -0.31 0.00 0.00 -1.50 0.00 0.00 33.47 31.56 2bv3 s TRP 74 CO 0.01 -0.46 0.65 1.63 -4.62 0.00 0.00 176.95 174.16 2bv3 n LYS 75 N 5.32 -1.60 -1.86 5.86 5.02 -1.26 -1.81 118.16 127.83 2bv3 n LYS 75 Ca -0.05 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 2bv3 n LYS 75 Cb 0.50 -3.94 -0.04 0.00 -0.02 0.00 0.00 35.03 31.53 2bv3 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bv3 n ASP 76 N -2.67 -4.91 -4.29 4.39 10.43 -1.26 -4.99 116.55 113.25 2bv3 n ASP 76 Ca -0.16 0.21 -0.26 0.00 2.57 0.00 0.00 54.79 57.15 2bv3 n ASP 76 Cb 0.61 -3.92 -0.13 0.00 1.84 0.00 0.00 41.12 39.52 2bv3 n ASP 76 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 2bv3 s HIS 77 N -2.70 1.90 -0.18 1.24 3.76 -0.75 -4.92 115.29 113.64 2bv3 s HIS 77 Ca 0.00 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.34 2bv3 s HIS 77 Cb 0.00 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 2bv3 s HIS 77 CO 0.00 0.17 0.46 0.50 -0.85 0.00 0.00 174.74 175.02 2bv3 s ARG 78 N -1.57 4.22 -0.21 1.40 3.52 -0.35 -1.43 118.95 124.53 2bv3 s ARG 78 Ca 0.08 0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 55.96 2bv3 s ARG 78 Cb -0.09 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2bv3 s ARG 78 CO 0.03 -0.04 0.03 0.42 -0.81 0.00 0.00 175.30 174.93 2bv3 s ILE 79 N 1.29 4.21 -0.31 4.11 1.01 0.05 -0.61 121.20 130.95 2bv3 s ILE 79 Ca 0.23 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 2bv3 s ILE 79 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.41 2bv3 s ILE 79 CO 0.09 0.41 0.11 0.20 0.00 0.00 0.00 174.94 175.75 2bv3 s ASN 80 N 1.03 5.30 -0.32 3.58 0.01 -0.74 -0.84 114.94 122.95 2bv3 s ASN 80 Ca 0.03 -0.68 -0.19 0.00 -0.71 0.00 0.00 52.86 51.32 2bv3 s ASN 80 Cb -0.14 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 2bv3 s ASN 80 CO 0.02 -0.21 0.55 -0.63 -1.51 0.00 0.00 177.10 175.32 2bv3 s ILE 81 N 1.54 5.00 -0.31 0.60 1.01 0.31 -1.35 121.20 128.01 2bv3 s ILE 81 Ca 0.03 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.12 2bv3 s ILE 81 Cb -0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2bv3 s ILE 81 CO 0.04 -0.12 0.53 -0.63 0.00 0.00 0.00 174.94 174.76 2bv3 s ILE 82 N 2.44 5.02 0.15 2.92 1.09 -0.13 -1.18 121.20 131.52 2bv3 s ILE 82 Ca 0.21 0.63 -0.18 0.00 -1.10 0.00 0.00 60.65 60.21 2bv3 s ILE 82 Cb -0.15 -3.91 -0.07 0.00 -1.06 0.00 0.00 42.46 37.26 2bv3 s ILE 82 CO 0.12 -0.08 0.62 -0.62 -0.10 0.00 0.00 174.94 174.88 2bv3 s ASP 83 N 1.67 6.99 -0.63 3.58 2.15 -0.21 -4.56 116.67 125.66 2bv3 s ASP 83 Ca 0.21 1.26 0.06 0.00 0.43 0.00 0.00 52.55 54.50 2bv3 s ASP 83 Cb -0.15 -2.36 0.21 0.00 -0.30 0.00 0.00 42.92 40.32 2bv3 s ASP 83 CO 0.12 0.13 0.58 0.00 -0.17 0.00 0.00 175.17 175.83 2bv3 n ALA 84 N 1.05 3.54 0.13 3.66 0.00 -1.26 -4.91 120.51 122.73 2bv3 n ALA 84 Ca -0.06 -4.40 -0.06 0.00 0.00 0.00 0.00 53.44 48.93 2bv3 n ALA 84 Cb 0.51 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2bv3 n ALA 84 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bv3 h PRO 85 N 4.80 -0.39 0.00 0.00 0.13 -1.99 -3.46 132.00 131.10 2bv3 h PRO 85 Ca 0.17 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2bv3 h PRO 85 Cb 0.74 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2bv3 h PRO 85 CO 0.71 -0.26 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 2bv3 n GLY 86 N 0.60 0.54 0.00 1.56 0.00 -1.26 -4.67 105.19 101.96 2bv3 n GLY 86 Ca -0.05 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2bv3 n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2bv3 n HIS 87 N 0.00 0.00 0.94 1.61 -0.00 -1.26 -4.98 115.22 111.53 2bv3 n HIS 87 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2bv3 n HIS 87 Cb 0.00 0.00 0.46 0.00 -0.12 0.00 0.00 29.99 30.33 2bv3 n HIS 87 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2bv3 n VAL 88 N 0.00 0.19 -0.67 3.57 0.24 -1.26 -4.83 118.33 115.58 2bv3 n VAL 88 Ca 0.00 0.05 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 2bv3 n VAL 88 Cb 0.00 -0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 31.57 2bv3 n VAL 88 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2bv3 n ASP 89 N -1.10 -1.84 0.02 -1.34 5.68 -1.26 -4.68 116.55 112.02 2bv3 n ASP 89 Ca 0.11 0.07 0.12 0.00 -0.50 0.00 0.00 54.79 54.58 2bv3 n ASP 89 Cb 0.08 -1.63 0.16 0.00 -1.14 0.00 0.00 41.12 38.59 2bv3 n ASP 89 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2bv3 n PHE 90 N -0.96 0.17 -0.94 2.11 3.01 -1.26 -4.94 117.46 114.65 2bv3 n PHE 90 Ca -0.03 0.05 -0.32 0.00 1.01 0.00 0.00 57.45 58.17 2bv3 n PHE 90 Cb 0.18 -0.36 0.14 0.00 -0.01 0.00 0.00 39.48 39.44 2bv3 n PHE 90 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2bv3 s THR 91 N -3.08 2.29 -1.00 4.37 -4.23 -1.26 -4.93 115.64 107.80 2bv3 s THR 91 Ca 0.08 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 60.95 2bv3 s THR 91 Cb 0.16 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.89 2bv3 s THR 91 CO 0.74 -0.11 1.81 0.00 -0.54 0.00 0.00 174.62 176.52 2bv3 n ILE 92 N -3.79 0.25 0.28 2.99 0.13 -1.26 -3.05 119.36 114.91 2bv3 n ILE 92 Ca 0.12 0.06 0.17 0.00 -1.10 0.00 0.00 62.75 62.00 2bv3 n ILE 92 Cb 0.52 -0.63 0.94 0.00 -0.84 0.00 0.00 39.64 39.63 2bv3 n ILE 92 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2bv3 h GLU 93 N 0.00 0.00 -0.37 9.51 4.81 -1.98 -3.06 114.58 123.49 2bv3 h GLU 93 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2bv3 h GLU 93 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2bv3 h GLU 93 CO 0.00 0.00 -0.04 0.28 -0.73 0.00 0.00 179.01 178.52 2bv3 h VAL 94 N 0.00 1.22 0.00 0.32 2.07 -1.90 -3.09 116.25 114.86 2bv3 h VAL 94 Ca 0.03 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2bv3 h VAL 94 Cb 0.18 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2bv3 h VAL 94 CO -0.00 0.31 -0.04 1.05 0.02 0.00 0.00 177.57 178.91 2bv3 h GLU 95 N 0.56 0.00 0.01 1.57 -0.00 -1.80 0.13 114.58 115.05 2bv3 h GLU 95 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.47 2bv3 h GLU 95 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 2bv3 h GLU 95 CO 0.02 0.04 -0.00 -0.09 -0.00 0.00 0.00 179.01 178.98 2bv3 h ARG 96 N 0.00 -0.01 -0.81 1.06 2.43 -1.75 -1.00 114.38 114.29 2bv3 h ARG 96 Ca -0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2bv3 h ARG 96 Cb 0.09 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 2bv3 h ARG 96 CO 0.01 0.43 0.44 0.77 -1.51 0.00 0.00 179.97 180.11 2bv3 h SER 97 N -0.45 0.58 1.02 -3.80 0.02 -1.29 -1.37 113.55 108.26 2bv3 h SER 97 Ca -0.00 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2bv3 h SER 97 Cb 0.44 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2bv3 h SER 97 CO 0.00 0.30 -0.32 -0.03 -1.14 0.00 0.00 176.83 175.65 2bv3 h MET 98 N 0.70 0.00 0.00 3.45 4.05 -0.74 -2.93 114.93 119.45 2bv3 h MET 98 Ca 0.41 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.76 2bv3 h MET 98 Cb 0.47 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2bv3 h MET 98 CO -0.29 0.32 -0.83 -0.09 0.23 0.00 0.00 176.91 176.25 2bv3 h ARG 99 N 0.00 0.00 0.00 0.39 2.43 -0.55 -3.31 114.38 113.34 2bv3 h ARG 99 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2bv3 h ARG 99 Cb 0.91 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2bv3 h ARG 99 CO 0.04 0.19 -0.71 0.28 -1.51 0.00 0.00 179.97 178.27 2bv3 h VAL 100 N 0.00 1.12 -2.26 0.20 2.07 -1.18 -3.46 116.25 112.74 2bv3 h VAL 100 Ca -0.05 -2.60 -0.45 0.00 0.82 0.00 0.00 66.70 64.42 2bv3 h VAL 100 Cb 1.25 2.55 0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2bv3 h VAL 100 CO 0.03 0.64 -0.27 -1.48 0.02 0.00 0.00 177.57 176.50 2bv3 s LEU 101 N -6.51 3.95 -0.18 2.57 0.05 -1.12 -5.00 118.68 112.44 2bv3 s LEU 101 Ca 0.03 0.07 0.02 0.00 0.05 0.00 0.00 54.13 54.30 2bv3 s LEU 101 Cb 0.08 -2.95 -0.12 0.00 -2.05 0.00 0.00 46.19 41.15 2bv3 s LEU 101 CO 0.77 -0.42 -0.15 0.47 -0.55 0.00 0.00 176.35 176.47 2bv3 n ASP 102 N -1.74 2.52 -4.28 1.48 8.00 -0.35 -4.92 116.55 117.26 2bv3 n ASP 102 Ca -0.02 -0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.23 2bv3 n ASP 102 Cb 0.58 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 2bv3 n ASP 102 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2bv3 s GLY 103 N -5.74 1.62 0.03 0.44 0.00 -0.70 -4.29 107.32 98.67 2bv3 s GLY 103 Ca -0.24 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.70 2bv3 s GLY 103 CO 0.43 -1.54 -0.07 0.00 0.00 0.00 0.00 173.10 171.92 2bv3 s ALA 104 N -3.85 0.52 -0.24 3.20 0.00 -0.75 -0.81 121.76 119.83 2bv3 s ALA 104 Ca 0.37 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 2bv3 s ALA 104 Cb 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2bv3 s ALA 104 CO 0.12 0.01 0.09 0.42 0.00 0.00 0.00 175.76 176.40 2bv3 s ILE 105 N -1.07 4.64 -0.26 0.00 1.01 -0.73 -1.84 121.20 122.94 2bv3 s ILE 105 Ca -0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 2bv3 s ILE 105 Cb -0.08 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2bv3 s ILE 105 CO 0.00 0.35 0.17 -0.69 0.00 0.00 0.00 174.94 174.77 2bv3 s VAL 106 N 1.35 5.24 -0.33 2.92 1.01 0.23 -0.98 120.40 129.84 2bv3 s VAL 106 Ca 0.06 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2bv3 s VAL 106 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2bv3 s VAL 106 CO 0.05 0.29 0.21 -0.69 0.00 0.00 0.00 175.10 174.96 2bv3 s VAL 107 N 1.50 5.03 0.02 2.92 1.01 0.30 -0.37 120.40 130.81 2bv3 s VAL 107 Ca 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2bv3 s VAL 107 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2bv3 s VAL 107 CO 0.08 -0.00 0.20 -0.36 0.00 0.00 0.00 175.10 175.02 2bv3 s PHE 108 N 1.68 3.54 -0.23 5.22 0.08 -0.34 -4.32 117.98 123.61 2bv3 s PHE 108 Ca 0.05 0.33 -0.20 0.00 0.12 0.00 0.00 56.93 57.23 2bv3 s PHE 108 Cb -0.17 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 2bv3 s PHE 108 CO 0.09 0.62 0.61 0.34 -0.10 0.00 0.00 175.22 176.79 2bv3 s ASP 109 N -2.14 6.60 0.44 1.36 -1.08 -1.26 -0.13 116.67 120.45 2bv3 s ASP 109 Ca 0.30 0.73 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 2bv3 s ASP 109 Cb -0.13 -2.33 0.97 0.00 -1.46 0.00 0.00 42.92 39.97 2bv3 s ASP 109 CO 0.22 -0.32 1.96 0.28 0.52 0.00 0.00 175.17 177.83 2bv3 h SER 110 N 7.73 0.00 0.33 -0.34 0.02 -1.44 -2.46 113.55 117.39 2bv3 h SER 110 Ca -0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2bv3 h SER 110 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2bv3 h SER 110 CO 0.77 0.22 -0.16 0.77 -1.14 0.00 0.00 176.83 177.28 2bv3 h SER 111 N 0.00 0.00 0.00 3.07 4.64 -1.83 -2.62 113.55 116.81 2bv3 h SER 111 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bv3 h SER 111 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2bv3 h SER 111 CO 0.03 0.16 -1.16 0.00 -0.87 0.00 0.00 176.83 174.99 2bv3 n GLN 112 N -3.85 1.45 0.00 4.77 1.13 -0.93 -4.81 117.38 115.13 2bv3 n GLN 112 Ca -0.02 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 2bv3 n GLN 112 Cb 0.26 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.41 2bv3 n GLN 112 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bv3 n GLY 113 N 1.60 -1.24 3.72 1.08 0.00 -1.20 -4.70 105.19 104.44 2bv3 n GLY 113 Ca -0.00 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2bv3 n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bv3 s VAL 114 N 0.00 3.64 0.16 1.61 -7.23 -1.26 -4.48 120.40 112.84 2bv3 s VAL 114 Ca 0.00 1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 61.36 2bv3 s VAL 114 Cb 0.00 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 2bv3 s VAL 114 CO 0.00 0.11 0.35 -1.61 -0.31 0.00 0.00 175.10 173.64 2bv3 s GLU 115 N 0.90 3.53 0.14 4.82 2.02 -1.26 -4.85 118.70 123.99 2bv3 s GLU 115 Ca 0.61 -0.30 -0.11 0.00 0.02 0.00 0.00 54.97 55.18 2bv3 s GLU 115 Cb -0.33 -2.88 0.14 0.00 0.10 0.00 0.00 34.13 31.16 2bv3 s GLU 115 CO 0.31 0.46 0.96 -2.30 0.02 0.00 0.00 175.26 174.71 2bv3 n PRO 116 N -0.29 -0.15 0.07 0.39 -0.02 -1.26 0.11 135.00 133.85 2bv3 n PRO 116 Ca -0.04 0.95 -0.19 0.00 -2.02 0.00 0.00 63.50 62.20 2bv3 n PRO 116 Cb 0.53 -1.41 -0.10 0.00 -0.02 0.00 0.00 33.50 32.50 2bv3 n PRO 116 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2bv3 h GLN 117 N 0.00 0.57 -0.98 -0.52 4.15 -1.95 -2.76 115.11 113.62 2bv3 h GLN 117 Ca 0.21 -0.68 0.21 0.00 0.77 0.00 0.00 58.65 59.17 2bv3 h GLN 117 Cb 0.37 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 2bv3 h GLN 117 CO -0.61 1.28 0.62 0.77 -1.93 0.00 0.00 178.83 178.96 2bv3 h SER 118 N 0.29 0.57 -0.82 -0.69 0.02 -1.05 1.32 113.55 113.18 2bv3 h SER 118 Ca -0.14 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2bv3 h SER 118 Cb 1.76 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.24 2bv3 h SER 118 CO 0.21 0.19 0.41 -0.08 -1.14 0.00 0.00 176.83 176.42 2bv3 h GLU 119 N 0.54 1.16 -0.11 3.45 4.81 0.10 0.56 114.58 125.10 2bv3 h GLU 119 Ca 0.54 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 59.46 2bv3 h GLU 119 Cb 1.15 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 30.32 2bv3 h GLU 119 CO -0.29 0.88 -0.54 1.15 -0.73 0.00 0.00 179.01 179.48 2bv3 h THR 120 N 1.15 1.35 -0.46 0.32 2.02 -0.03 -1.24 112.91 116.02 2bv3 h THR 120 Ca 0.28 -1.85 0.05 0.00 0.77 0.00 0.00 66.41 65.66 2bv3 h THR 120 Cb 0.09 2.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2bv3 h THR 120 CO -0.04 0.56 0.20 0.58 0.37 0.00 0.00 175.52 177.19 2bv3 h VAL 121 N 0.18 0.91 0.11 3.16 2.07 0.17 0.41 116.25 123.26 2bv3 h VAL 121 Ca -0.04 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2bv3 h VAL 121 Cb 1.19 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2bv3 h VAL 121 CO 0.11 0.07 -0.26 -0.25 0.02 0.00 0.00 177.57 177.27 2bv3 h TRP 122 N 0.40 -0.69 -0.29 1.57 2.91 0.08 -2.86 115.95 117.07 2bv3 h TRP 122 Ca 0.21 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.33 2bv3 h TRP 122 Cb 0.16 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 2bv3 h TRP 122 CO -0.13 -0.36 0.27 -0.09 -1.03 0.00 0.00 178.44 177.10 2bv3 h ARG 123 N -0.46 0.00 -0.31 2.65 9.65 -0.09 0.15 114.38 125.96 2bv3 h ARG 123 Ca 0.03 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.75 2bv3 h ARG 123 Cb 0.49 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2bv3 h ARG 123 CO -0.15 0.00 -0.42 1.96 2.80 0.00 0.00 179.97 184.16 2bv3 h GLN 124 N 0.00 0.84 -0.55 0.20 4.20 -0.73 -3.03 115.11 116.03 2bv3 h GLN 124 Ca 0.14 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 2bv3 h GLN 124 Cb 0.68 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2bv3 h GLN 124 CO -0.00 1.12 0.15 0.00 -0.67 0.00 0.00 178.83 179.43 2bv3 h ALA 125 N 0.71 0.73 0.00 3.87 0.00 -0.60 -2.22 119.26 121.74 2bv3 h ALA 125 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2bv3 h ALA 125 Cb 1.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bv3 h ALA 125 CO 0.10 0.41 -0.14 1.49 0.00 0.00 0.00 179.25 181.11 2bv3 h GLU 126 N 0.78 0.00 0.00 0.00 4.81 -1.70 -2.30 114.58 116.17 2bv3 h GLU 126 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2bv3 h GLU 126 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2bv3 h GLU 126 CO -0.00 0.14 0.00 1.17 -0.73 0.00 0.00 179.01 179.59 2bv3 n LYS 127 N -3.14 0.11 -0.10 1.92 4.81 -0.87 -2.87 118.16 118.03 2bv3 n LYS 127 Ca 0.03 0.59 0.03 0.00 -0.87 0.00 0.00 58.31 58.10 2bv3 n LYS 127 Cb 0.58 -1.86 0.04 0.00 0.02 0.00 0.00 35.03 33.82 2bv3 n LYS 127 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2bv3 n TYR 128 N -2.09 0.00 -2.61 5.64 4.01 -0.96 -5.02 117.16 116.12 2bv3 n TYR 128 Ca -0.01 -0.50 -0.18 0.00 -0.16 0.00 0.00 57.90 57.05 2bv3 n TYR 128 Cb 0.04 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2bv3 n TYR 128 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2bv3 n LYS 129 N -0.64 -2.56 -3.45 -0.72 5.02 -1.10 -4.97 118.16 109.74 2bv3 n LYS 129 Ca 0.05 0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 56.72 2bv3 n LYS 129 Cb 0.48 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 29.94 2bv3 n LYS 129 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bv3 s VAL 130 N -2.88 5.21 0.33 -0.18 0.11 -0.90 -5.03 120.40 117.05 2bv3 s VAL 130 Ca 0.09 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.93 2bv3 s VAL 130 Cb -0.04 -3.75 -0.13 0.00 -1.53 0.00 0.00 36.38 30.93 2bv3 s VAL 130 CO 0.11 -0.00 1.19 -2.65 -3.33 0.00 0.00 175.10 170.41 2bv3 n PRO 131 N 5.28 1.85 -3.97 1.54 -0.02 -1.26 -4.70 135.00 133.72 2bv3 n PRO 131 Ca -0.10 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 2bv3 n PRO 131 Cb 0.50 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 2bv3 n PRO 131 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2bv3 s ARG 132 N -1.79 0.32 0.25 -0.52 1.70 -1.26 -1.81 118.95 115.85 2bv3 s ARG 132 Ca 0.57 -0.57 0.11 0.00 -0.47 0.00 0.00 55.73 55.36 2bv3 s ARG 132 Cb -0.61 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 33.84 2bv3 s ARG 132 CO 0.61 -0.06 -0.12 0.96 -1.08 0.00 0.00 175.30 175.62 2bv3 s ILE 133 N -1.42 2.92 0.12 4.99 -4.36 -0.77 -4.55 121.20 118.15 2bv3 s ILE 133 Ca -0.15 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.19 2bv3 s ILE 133 Cb -0.10 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2bv3 s ILE 133 CO -0.01 -0.33 0.10 0.00 0.24 0.00 0.00 174.94 174.95 2bv3 s ALA 134 N -2.26 3.55 -0.24 2.27 0.00 -0.56 -0.60 121.76 123.92 2bv3 s ALA 134 Ca 0.29 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2bv3 s ALA 134 Cb -0.06 -1.38 0.07 0.00 0.00 0.00 0.00 23.12 21.74 2bv3 s ALA 134 CO 0.16 0.63 0.01 0.12 0.00 0.00 0.00 175.76 176.68 2bv3 s PHE 135 N -1.55 1.89 -0.86 0.00 5.36 0.50 -1.33 117.98 121.98 2bv3 s PHE 135 Ca 0.30 -1.52 -0.25 0.00 -0.96 0.00 0.00 56.93 54.51 2bv3 s PHE 135 Cb -0.11 -1.48 0.05 0.00 -0.34 0.00 0.00 43.02 41.13 2bv3 s PHE 135 CO 0.22 -0.75 1.32 0.00 -1.46 0.00 0.00 175.22 174.55 2bv3 s ALA 136 N 1.56 2.80 0.64 11.12 0.00 0.12 -1.20 121.76 136.80 2bv3 s ALA 136 Ca -0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 2bv3 s ALA 136 Cb -0.18 -4.33 0.05 0.00 0.00 0.00 0.00 23.12 18.66 2bv3 s ALA 136 CO -0.10 -3.37 0.91 1.21 0.00 0.00 0.00 175.76 174.42 2bv3 s ASN 137 N 4.23 5.00 -1.43 0.00 3.04 0.81 -1.40 114.94 125.19 2bv3 s ASN 137 Ca 0.38 0.25 -0.04 0.00 0.04 0.00 0.00 52.86 53.49 2bv3 s ASN 137 Cb -0.05 -1.00 0.00 0.00 -1.54 0.00 0.00 41.25 38.67 2bv3 s ASN 137 CO 0.03 -1.41 0.54 0.29 -3.04 0.00 0.00 177.10 173.51 2bv3 n LYS 138 N -2.68 -4.39 0.03 0.43 5.02 -1.02 -1.25 118.16 114.30 2bv3 n LYS 138 Ca 0.08 0.84 0.05 0.00 -2.02 0.00 0.00 58.31 57.26 2bv3 n LYS 138 Cb 0.60 -5.53 0.22 0.00 -0.02 0.00 0.00 35.03 30.31 2bv3 n LYS 138 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2bv3 n MET 139 N -3.71 0.04 0.16 1.97 2.81 -0.96 -1.78 117.12 115.64 2bv3 n MET 139 Ca -0.11 0.43 0.12 0.00 -1.81 0.00 0.00 57.70 56.33 2bv3 n MET 139 Cb 0.61 -1.60 0.13 0.00 -0.71 0.00 0.00 33.22 31.65 2bv3 n MET 139 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2bv3 h ASP 140 N 0.00 0.00 -3.78 7.83 2.03 -1.84 -3.24 116.42 117.42 2bv3 h ASP 140 Ca 0.00 -0.02 -0.48 0.00 -0.73 0.00 0.00 57.03 55.80 2bv3 h ASP 140 Cb 0.11 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.59 2bv3 h ASP 140 CO 0.00 0.01 0.30 -0.75 -1.03 0.00 0.00 179.24 177.77 2bv3 s LYS 141 N -3.25 4.61 0.14 4.15 2.20 -0.73 -2.62 119.74 124.23 2bv3 s LYS 141 Ca 0.04 1.29 -0.35 0.00 -0.36 0.00 0.00 55.97 56.60 2bv3 s LYS 141 Cb 0.08 -2.96 -0.15 0.00 -1.51 0.00 0.00 37.83 33.29 2bv3 s LYS 141 CO 0.71 0.38 1.53 -2.37 -0.36 0.00 0.00 175.35 175.23 2bv3 n THR 142 N 0.89 0.01 0.00 3.43 5.66 -1.26 -1.33 114.28 121.68 2bv3 n THR 142 Ca -0.00 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2bv3 n THR 142 Cb 0.49 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 2bv3 n THR 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bv3 n GLY 143 N 3.22 3.29 3.68 1.09 0.00 -1.26 -4.86 105.19 110.34 2bv3 n GLY 143 Ca 0.17 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.61 2bv3 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bv3 n ALA 144 N -1.38 -0.83 -3.57 4.61 0.00 -0.44 -4.41 120.51 114.49 2bv3 n ALA 144 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 2bv3 n ALA 144 Cb 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.22 2bv3 n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bv3 s ASP 145 N 2.53 0.79 0.30 0.00 2.15 -0.99 -4.69 116.67 116.76 2bv3 s ASP 145 Ca 0.96 0.21 -0.02 0.00 0.43 0.00 0.00 52.55 54.14 2bv3 s ASP 145 Cb -1.14 0.57 0.46 0.00 -0.30 0.00 0.00 42.92 42.52 2bv3 s ASP 145 CO 0.64 -0.28 1.97 0.25 -0.17 0.00 0.00 175.17 177.57 2bv3 h LEU 146 N 8.30 0.94 -0.69 -1.34 6.46 -1.93 -3.01 115.31 124.04 2bv3 h LEU 146 Ca -0.16 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.44 2bv3 h LEU 146 Cb 1.13 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2bv3 h LEU 146 CO 0.21 0.67 -0.57 -0.50 -0.62 0.00 0.00 178.44 177.63 2bv3 h TRP 147 N 1.10 0.33 -0.25 1.25 4.06 -1.95 -1.19 115.95 119.30 2bv3 h TRP 147 Ca 0.31 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 61.05 2bv3 h TRP 147 Cb -0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2bv3 h TRP 147 CO -0.00 0.77 -0.21 1.25 -3.56 0.00 0.00 178.44 176.69 2bv3 h LEU 148 N 0.20 0.45 0.09 -4.49 5.85 -1.88 -0.64 115.31 114.89 2bv3 h LEU 148 Ca -0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2bv3 h LEU 148 Cb 1.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2bv3 h LEU 148 CO 0.09 0.68 -0.04 0.58 -0.34 0.00 0.00 178.44 179.41 2bv3 h VAL 149 N 0.41 1.07 -0.21 1.05 2.07 -1.30 -2.79 116.25 116.56 2bv3 h VAL 149 Ca 0.07 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2bv3 h VAL 149 Cb 0.61 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2bv3 h VAL 149 CO 0.04 0.14 -0.00 0.40 0.02 0.00 0.00 177.57 178.17 2bv3 h ILE 150 N -0.38 0.85 -0.45 4.57 1.08 -1.04 -2.32 117.51 119.82 2bv3 h ILE 150 Ca -0.01 -0.02 -0.11 0.00 -0.39 0.00 0.00 64.86 64.33 2bv3 h ILE 150 Cb 0.32 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2bv3 h ILE 150 CO 0.02 0.01 -0.15 0.03 -0.69 0.00 0.00 178.15 177.37 2bv3 h ARG 151 N 0.06 0.84 0.00 2.37 3.08 -1.18 -2.01 114.38 117.55 2bv3 h ARG 151 Ca 0.10 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 2bv3 h ARG 151 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2bv3 h ARG 151 CO -0.17 0.94 -0.38 1.79 -1.07 0.00 0.00 179.97 181.08 2bv3 h THR 152 N 0.75 0.81 -0.24 2.04 1.35 -1.45 0.32 112.91 116.50 2bv3 h THR 152 Ca 0.12 -1.63 -0.19 0.00 -0.55 0.00 0.00 66.41 64.16 2bv3 h THR 152 Cb 0.66 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2bv3 h THR 152 CO 0.05 0.37 -0.59 0.24 -0.25 0.00 0.00 175.52 175.34 2bv3 h MET 153 N 0.00 0.78 0.24 4.72 2.86 -1.07 0.14 114.93 122.60 2bv3 h MET 153 Ca -0.00 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 2bv3 h MET 153 Cb 1.00 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2bv3 h MET 153 CO 0.05 1.15 -0.12 1.96 1.06 0.00 0.00 176.91 181.01 2bv3 h GLN 154 N 0.59 -0.31 0.06 1.72 4.20 -1.09 -0.01 115.11 120.26 2bv3 h GLN 154 Ca 0.00 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2bv3 h GLN 154 Cb 1.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2bv3 h GLN 154 CO 0.12 -0.06 -0.03 1.49 -0.67 0.00 0.00 178.83 179.68 2bv3 h GLU 155 N -0.53 -0.07 0.16 1.46 4.57 -0.92 -2.44 114.58 116.81 2bv3 h GLU 155 Ca -0.03 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.82 2bv3 h GLU 155 Cb 0.39 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2bv3 h GLU 155 CO 0.05 0.52 -1.69 0.00 -1.18 0.00 0.00 179.01 176.72 2bv3 h ARG 156 N -0.77 0.33 0.00 1.92 3.08 -1.14 -3.37 114.38 114.43 2bv3 h ARG 156 Ca -0.01 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2bv3 h ARG 156 Cb 0.63 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2bv3 h ARG 156 CO 0.01 1.22 -1.08 1.28 -1.07 0.00 0.00 179.97 180.34 2bv3 n LEU 157 N -3.52 0.80 -3.76 3.04 4.77 -1.13 -4.91 117.00 112.28 2bv3 n LEU 157 Ca -0.22 -0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 55.11 2bv3 n LEU 157 Cb 1.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.18 2bv3 n LEU 157 CO 0.51 0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 177.29 2bv3 n GLY 158 N 1.45 -0.29 0.12 -0.72 0.00 -0.73 -4.64 105.19 100.37 2bv3 n GLY 158 Ca 0.03 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2bv3 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bv3 h ALA 159 N 0.87 0.65 -6.14 4.61 0.00 -1.17 -3.48 119.26 114.59 2bv3 h ALA 159 Ca -0.61 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 53.45 2bv3 h ALA 159 Cb 1.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2bv3 h ALA 159 CO 0.58 0.66 -0.62 -2.13 0.00 0.00 0.00 179.25 177.74 2bv3 n ARG 160 N -2.97 -1.45 -2.39 0.00 0.63 -1.26 -4.36 116.66 104.86 2bv3 n ARG 160 Ca -0.04 1.09 -0.38 0.00 -0.92 0.00 0.00 57.85 57.60 2bv3 n ARG 160 Cb 0.75 -3.82 -0.03 0.00 0.45 0.00 0.00 32.46 29.82 2bv3 n ARG 160 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2bv3 s PRO 161 N -4.08 4.11 -0.20 -0.14 0.04 -1.26 -2.57 135.00 130.90 2bv3 s PRO 161 Ca 0.00 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 2bv3 s PRO 161 Cb -0.00 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 2bv3 s PRO 161 CO 0.83 -0.24 -0.04 0.08 0.04 0.00 0.00 177.00 177.67 2bv3 s VAL 162 N -1.49 3.50 -0.49 -0.36 1.01 -0.73 -4.87 120.40 116.97 2bv3 s VAL 162 Ca 0.57 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 2bv3 s VAL 162 Cb -0.28 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2bv3 s VAL 162 CO 0.35 0.44 1.65 -0.69 0.00 0.00 0.00 175.10 176.84 2bv3 s VAL 163 N 1.13 3.59 -0.54 2.92 1.01 -1.26 -1.22 120.40 126.03 2bv3 s VAL 163 Ca 0.02 0.52 0.22 0.00 0.00 0.00 0.00 61.98 62.74 2bv3 s VAL 163 Cb -0.15 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 31.99 2bv3 s VAL 163 CO -0.00 -0.83 0.85 0.23 0.00 0.00 0.00 175.10 175.35 2bv3 n MET 164 N 8.67 0.32 -3.73 2.72 2.81 -1.12 -4.82 117.12 121.97 2bv3 n MET 164 Ca 0.18 -0.05 -0.12 0.00 -1.81 0.00 0.00 57.70 55.90 2bv3 n MET 164 Cb 0.49 -1.56 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 2bv3 n MET 164 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2bv3 s GLN 165 N -3.24 0.82 -0.00 0.03 -0.21 -1.25 -1.95 119.66 113.85 2bv3 s GLN 165 Ca 0.02 -0.41 0.04 0.00 0.02 0.00 0.00 55.36 55.02 2bv3 s GLN 165 Cb 0.15 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.50 2bv3 s GLN 165 CO 0.85 -0.26 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.13 2bv3 s LEU 166 N -1.91 2.04 0.31 2.90 1.02 -0.26 -4.94 118.68 117.83 2bv3 s LEU 166 Ca -0.07 -0.24 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 2bv3 s LEU 166 Cb -0.02 -0.58 -0.10 0.00 0.02 0.00 0.00 46.19 45.52 2bv3 s LEU 166 CO -0.02 0.12 0.88 -2.16 0.02 0.00 0.00 176.35 175.20 2bv3 s PRO 167 N -0.38 4.43 -0.22 1.29 0.04 -1.26 -0.48 135.00 138.41 2bv3 s PRO 167 Ca 0.04 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 2bv3 s PRO 167 Cb -0.05 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2bv3 s PRO 167 CO -0.00 0.27 0.12 0.42 0.04 0.00 0.00 177.00 177.85 2bv3 s ILE 168 N -1.67 5.09 0.01 0.56 1.01 -0.40 -4.89 121.20 120.91 2bv3 s ILE 168 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2bv3 s ILE 168 Cb -0.17 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2bv3 s ILE 168 CO 0.21 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2bv3 n GLY 169 N 4.10 -2.19 3.22 6.18 0.00 -1.26 -2.00 105.19 113.24 2bv3 n GLY 169 Ca -0.16 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2bv3 n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bv3 s ARG 170 N -0.72 0.38 2.12 1.61 3.52 -1.25 -4.62 118.95 119.99 2bv3 s ARG 170 Ca 0.00 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2bv3 s ARG 170 Cb 0.00 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 2bv3 s ARG 170 CO 0.00 -0.06 0.00 0.39 -0.81 0.00 0.00 175.30 174.82 2bv3 n GLU 171 N 3.08 0.00 0.02 5.12 1.02 -1.23 0.09 120.64 128.74 2bv3 n GLU 171 Ca -0.14 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.20 2bv3 n GLU 171 Cb 0.57 0.00 0.54 0.00 -0.02 0.00 0.00 31.44 32.53 2bv3 n GLU 171 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2bv3 h ASP 172 N 0.24 0.00 -0.34 1.62 2.03 -1.81 0.48 116.42 118.63 2bv3 h ASP 172 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2bv3 h ASP 172 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2bv3 h ASP 172 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.56 2bv3 n THR 173 N -3.27 0.43 -1.68 1.15 -2.24 0.11 -4.93 114.28 103.86 2bv3 n THR 173 Ca 0.12 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2bv3 n THR 173 Cb 1.02 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 2bv3 n THR 173 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2bv3 s PHE 174 N -1.57 1.30 0.00 4.78 5.36 0.17 -3.89 117.98 124.13 2bv3 s PHE 174 Ca 0.37 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 2bv3 s PHE 174 Cb 0.21 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 2bv3 s PHE 174 CO 0.30 -4.47 0.05 -1.13 -1.46 0.00 0.00 175.22 168.51 2bv3 n SER 175 N 9.97 0.10 -3.80 6.13 3.41 -0.85 -4.93 113.62 123.65 2bv3 n SER 175 Ca 0.25 -0.42 -0.06 0.00 -0.26 0.00 0.00 58.87 58.38 2bv3 n SER 175 Cb 0.44 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 2bv3 n SER 175 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bv3 s GLY 176 N -0.22 -0.17 -0.01 5.00 0.00 -1.21 -1.33 107.32 109.38 2bv3 s GLY 176 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2bv3 s GLY 176 CO 0.00 -0.04 0.01 -0.42 0.00 0.00 0.00 173.10 172.65 2bv3 s ILE 177 N -3.71 -0.00 -0.27 0.90 1.01 0.69 -1.28 121.20 118.54 2bv3 s ILE 177 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 2bv3 s ILE 177 Cb -0.04 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 2bv3 s ILE 177 CO 0.04 0.05 0.18 -0.63 0.00 0.00 0.00 174.94 174.58 2bv3 s ILE 178 N 0.51 5.30 -0.52 2.92 1.01 0.36 -0.28 121.20 130.50 2bv3 s ILE 178 Ca -0.04 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 2bv3 s ILE 178 Cb -0.06 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.93 2bv3 s ILE 178 CO -0.01 0.27 0.92 -0.62 0.00 0.00 0.00 174.94 175.50 2bv3 s ASP 179 N 1.60 6.39 0.00 3.58 -1.08 0.96 -1.10 116.67 127.01 2bv3 s ASP 179 Ca 0.07 -0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.17 2bv3 s ASP 179 Cb -0.15 -2.44 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 2bv3 s ASP 179 CO 0.09 -1.15 1.73 1.33 0.52 0.00 0.00 175.17 177.69 2bv3 n VAL 180 N 6.25 0.00 -0.02 1.11 0.24 -0.82 -0.37 118.33 124.71 2bv3 n VAL 180 Ca 0.03 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2bv3 n VAL 180 Cb 0.48 -0.05 -0.11 0.00 -1.47 0.00 0.00 33.84 32.69 2bv3 n VAL 180 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2bv3 h LEU 181 N 0.34 -0.02 -1.87 1.34 7.12 -1.92 -3.35 115.31 116.94 2bv3 h LEU 181 Ca 0.00 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 57.38 2bv3 h LEU 181 Cb 0.44 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2bv3 h LEU 181 CO 0.00 0.64 -0.01 0.54 -0.13 0.00 0.00 178.44 179.48 2bv3 n ARG 182 N -4.78 2.28 -3.79 1.25 1.74 -1.22 -4.96 116.66 107.18 2bv3 n ARG 182 Ca -0.09 -1.87 -0.27 0.00 -0.77 0.00 0.00 57.85 54.85 2bv3 n ARG 182 Cb 0.32 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 2bv3 n ARG 182 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2bv3 n MET 183 N 1.28 -2.68 -4.30 5.56 2.81 0.50 -4.99 117.12 115.30 2bv3 n MET 183 Ca 0.14 0.47 -0.20 0.00 -1.81 0.00 0.00 57.70 56.29 2bv3 n MET 183 Cb 0.59 -4.47 -0.11 0.00 -0.71 0.00 0.00 33.22 28.52 2bv3 n MET 183 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2bv3 s LYS 184 N -6.20 1.20 0.26 0.03 1.02 -0.78 -4.82 119.74 110.44 2bv3 s LYS 184 Ca 0.21 -1.37 0.09 0.00 0.02 0.00 0.00 55.97 54.92 2bv3 s LYS 184 Cb -0.07 -1.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.02 2bv3 s LYS 184 CO 0.86 0.23 -0.14 0.00 -0.92 0.00 0.00 175.35 175.39 2bv3 s ALA 185 N -2.18 2.42 0.00 5.17 0.00 -0.92 -0.03 121.76 126.23 2bv3 s ALA 185 Ca 0.14 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.28 2bv3 s ALA 185 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2bv3 s ALA 185 CO 0.05 0.10 -0.05 0.71 0.00 0.00 0.00 175.76 176.57 2bv3 s TYR 186 N -2.80 0.47 0.01 0.00 2.02 0.62 -1.03 117.35 116.64 2bv3 s TYR 186 Ca 0.27 -0.14 0.06 0.00 -0.37 0.00 0.00 57.07 56.89 2bv3 s TYR 186 Cb -0.01 -0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 2bv3 s TYR 186 CO 0.12 -0.02 -0.18 -0.08 -1.57 0.00 0.00 175.55 173.82 2bv3 s THR 187 N -0.29 1.41 -0.17 -0.71 -1.32 -0.45 -0.23 115.64 113.88 2bv3 s THR 187 Ca 0.00 -0.91 -0.02 0.00 -1.21 0.00 0.00 61.69 59.56 2bv3 s THR 187 Cb -0.03 -1.20 -0.01 0.00 -1.51 0.00 0.00 72.50 69.75 2bv3 s THR 187 CO -0.00 0.28 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.27 2bv3 s TYR 188 N -0.58 2.87 0.11 9.09 2.02 -0.45 -2.32 117.35 128.08 2bv3 s TYR 188 Ca 0.06 -0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 55.85 2bv3 s TYR 188 Cb -0.07 -1.96 -0.20 0.00 -0.40 0.00 0.00 41.96 39.33 2bv3 s TYR 188 CO 0.00 -0.43 1.23 0.78 -1.57 0.00 0.00 175.55 175.56 2bv3 h GLY 189 N 7.45 0.27 -0.21 0.71 0.00 -1.73 -3.48 103.07 106.09 2bv3 h GLY 189 Ca -0.35 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.31 2bv3 h GLY 189 CO 0.59 0.53 -0.06 1.16 0.00 0.00 0.00 176.54 178.76 2bv3 n ASN 190 N -3.56 0.18 -1.27 0.19 0.23 -1.26 -5.06 115.26 104.72 2bv3 n ASN 190 Ca -0.06 -1.27 0.01 0.00 -0.53 0.00 0.00 54.58 52.73 2bv3 n ASN 190 Cb 0.95 0.19 0.26 0.00 -2.08 0.00 0.00 39.78 39.09 2bv3 n ASN 190 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2bv3 n ASP 191 N -2.62 3.80 -0.02 0.53 10.43 -1.26 -4.59 116.55 122.82 2bv3 n ASP 191 Ca 0.01 -3.27 0.04 0.00 2.57 0.00 0.00 54.79 54.14 2bv3 n ASP 191 Cb 0.08 -0.62 -0.05 0.00 1.84 0.00 0.00 41.12 42.37 2bv3 n ASP 191 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2bv3 n LEU 192 N -0.57 0.47 -0.14 0.64 4.77 -1.26 -4.06 117.00 116.85 2bv3 n LEU 192 Ca 0.30 -0.52 -0.02 0.00 -0.03 0.00 0.00 56.01 55.74 2bv3 n LEU 192 Cb 1.07 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 2bv3 n LEU 192 CO 0.24 0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 177.01 2bv3 n GLY 193 N 1.18 0.43 0.21 -0.72 0.00 -1.26 -4.94 105.19 100.09 2bv3 n GLY 193 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.13 2bv3 n GLY 193 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bv3 n THR 194 N -3.35 1.23 -3.25 2.61 -2.24 -1.26 -4.90 114.28 103.11 2bv3 n THR 194 Ca -0.02 -1.26 -0.06 0.00 -2.27 0.00 0.00 64.05 60.45 2bv3 n THR 194 Cb 0.22 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 2bv3 n THR 194 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bv3 s ASP 195 N -1.36 -0.53 -0.06 3.42 3.68 -1.26 -5.04 116.67 115.52 2bv3 s ASP 195 Ca 0.13 -1.13 0.04 0.00 2.13 0.00 0.00 52.55 53.72 2bv3 s ASP 195 Cb 0.09 1.43 -0.02 0.00 -1.45 0.00 0.00 42.92 42.98 2bv3 s ASP 195 CO 0.05 -0.20 -0.18 -0.51 0.13 0.00 0.00 175.17 174.46 2bv3 s ILE 196 N 1.64 2.69 -0.03 4.11 2.07 -1.26 -1.98 121.20 128.44 2bv3 s ILE 196 Ca 0.17 -0.84 -0.01 0.00 -1.41 0.00 0.00 60.65 58.56 2bv3 s ILE 196 Cb -0.08 -2.04 0.03 0.00 0.13 0.00 0.00 42.46 40.50 2bv3 s ILE 196 CO -0.05 0.57 0.04 -0.13 -1.91 0.00 0.00 174.94 173.46 2bv3 s ARG 197 N -0.37 -0.03 0.26 3.50 0.52 -0.98 -5.02 118.95 116.83 2bv3 s ARG 197 Ca 0.03 0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.18 2bv3 s ARG 197 Cb -0.12 -0.33 -0.10 0.00 0.52 0.00 0.00 34.95 34.91 2bv3 s ARG 197 CO 0.02 -0.21 1.45 -2.00 0.02 0.00 0.00 175.30 174.58 2bv3 s GLU 198 N 1.36 4.25 0.11 3.54 2.12 -1.26 -1.34 118.70 127.48 2bv3 s GLU 198 Ca -0.05 2.34 0.01 0.00 0.36 0.00 0.00 54.97 57.63 2bv3 s GLU 198 Cb -0.13 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2bv3 s GLU 198 CO -0.03 -0.44 -0.05 0.96 -0.54 0.00 0.00 175.26 175.17 2bv3 s ILE 199 N -0.11 0.61 0.55 -3.70 -4.36 -0.20 -4.91 121.20 109.08 2bv3 s ILE 199 Ca 0.59 -1.93 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 2bv3 s ILE 199 Cb -0.43 -1.75 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2bv3 s ILE 199 CO 0.45 -0.80 1.16 -2.84 0.24 0.00 0.00 174.94 173.15 2bv3 s PRO 200 N -3.87 3.30 -0.05 0.37 0.02 -1.26 -2.17 135.00 131.35 2bv3 s PRO 200 Ca 0.14 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 2bv3 s PRO 200 Cb 0.06 -2.04 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 2bv3 s PRO 200 CO -0.04 -0.91 2.05 -0.89 -0.33 0.00 0.00 177.00 176.88 2bv3 n ILE 201 N -1.26 0.63 -1.79 2.83 5.41 -1.26 -4.78 119.36 119.15 2bv3 n ILE 201 Ca 0.12 -0.24 -0.37 0.00 1.00 0.00 0.00 62.75 63.26 2bv3 n ILE 201 Cb 0.50 -2.37 0.06 0.00 -0.71 0.00 0.00 39.64 37.12 2bv3 n ILE 201 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2bv3 s PRO 202 N 5.04 2.67 0.33 0.38 0.02 -1.26 -4.76 135.00 137.42 2bv3 s PRO 202 Ca 0.93 2.05 0.06 0.00 0.02 0.00 0.00 61.00 64.06 2bv3 s PRO 202 Cb -0.42 -1.89 0.72 0.00 0.02 0.00 0.00 34.50 32.93 2bv3 s PRO 202 CO 0.41 -1.50 1.87 1.49 -0.33 0.00 0.00 177.00 178.94 2bv3 h GLU 203 N 0.68 0.78 0.00 5.54 4.57 -2.01 -0.60 114.58 123.53 2bv3 h GLU 203 Ca -0.51 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2bv3 h GLU 203 Cb 1.33 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2bv3 h GLU 203 CO 0.54 0.52 0.00 -0.85 -1.18 0.00 0.00 179.01 178.03 2bv3 n GLU 204 N -4.56 0.82 -0.02 1.92 0.00 -1.26 -2.27 120.64 115.27 2bv3 n GLU 204 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.37 2bv3 n GLU 204 Cb 0.39 -1.49 0.05 0.00 0.00 0.00 0.00 31.44 30.39 2bv3 n GLU 204 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2bv3 n TYR 205 N -0.99 0.06 -0.16 -1.84 4.01 -0.24 -4.69 117.16 113.30 2bv3 n TYR 205 Ca 0.19 -0.09 -0.11 0.00 -0.16 0.00 0.00 57.90 57.74 2bv3 n TYR 205 Cb 0.09 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2bv3 n TYR 205 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2bv3 h LEU 206 N 1.57 0.91 -0.28 7.72 5.85 -1.40 -0.11 115.31 129.57 2bv3 h LEU 206 Ca 0.00 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 2bv3 h LEU 206 Cb 0.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2bv3 h LEU 206 CO 0.00 1.05 -0.03 0.44 -0.34 0.00 0.00 178.44 179.57 2bv3 h ASP 207 N 0.75 0.51 -0.76 1.25 5.19 -1.84 0.69 116.42 122.22 2bv3 h ASP 207 Ca 0.12 -0.33 -0.05 0.00 -0.62 0.00 0.00 57.03 56.14 2bv3 h ASP 207 Cb 0.65 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 2bv3 h ASP 207 CO 0.04 0.72 0.26 -0.61 -3.12 0.00 0.00 179.24 176.54 2bv3 h GLN 208 N 0.29 1.16 -0.37 3.56 4.15 -1.86 -1.16 115.11 120.88 2bv3 h GLN 208 Ca 0.08 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 2bv3 h GLN 208 Cb 0.48 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2bv3 h GLN 208 CO 0.02 0.97 -0.00 0.00 -1.93 0.00 0.00 178.83 177.89 2bv3 h ALA 209 N 1.16 0.49 -0.34 3.38 0.00 -0.69 -0.53 119.26 122.73 2bv3 h ALA 209 Ca 0.25 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2bv3 h ALA 209 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2bv3 h ALA 209 CO -0.01 0.27 0.21 0.00 0.00 0.00 0.00 179.25 179.72 2bv3 h ARG 210 N 0.47 0.42 -0.52 0.00 3.08 -0.67 0.10 114.38 117.26 2bv3 h ARG 210 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2bv3 h ARG 210 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2bv3 h ARG 210 CO 0.02 0.28 0.31 1.49 -1.07 0.00 0.00 179.97 181.00 2bv3 h GLU 211 N 0.43 0.71 0.00 0.04 4.81 -1.03 -2.04 114.58 117.50 2bv3 h GLU 211 Ca 0.13 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2bv3 h GLU 211 Cb -0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2bv3 h GLU 211 CO -0.04 0.52 -0.74 1.88 -0.73 0.00 0.00 179.01 179.90 2bv3 h TYR 212 N 0.69 0.00 -0.45 0.92 0.05 -0.84 -2.34 116.97 115.00 2bv3 h TYR 212 Ca 0.19 0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.01 2bv3 h TYR 212 Cb -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 2bv3 h TYR 212 CO -0.03 0.74 0.21 1.25 -1.05 0.00 0.00 178.16 179.28 2bv3 h HIS 213 N 0.00 0.38 -0.77 4.88 2.76 -0.62 -1.14 115.15 120.63 2bv3 h HIS 213 Ca -0.01 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2bv3 h HIS 213 Cb 1.40 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 2bv3 h HIS 213 CO 0.00 0.17 0.31 0.93 -1.30 0.00 0.00 177.93 178.04 2bv3 h GLU 214 N 0.41 1.15 -0.35 5.26 4.39 -1.19 -0.14 114.58 124.12 2bv3 h GLU 214 Ca 0.20 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2bv3 h GLU 214 Cb 0.14 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2bv3 h GLU 214 CO -0.17 0.93 0.21 0.87 -1.16 0.00 0.00 179.01 179.70 2bv3 h LYS 215 N 1.13 0.42 -0.73 2.33 1.57 -1.23 -0.41 116.57 119.66 2bv3 h LYS 215 Ca 0.26 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2bv3 h LYS 215 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2bv3 h LYS 215 CO -0.02 0.28 0.28 1.25 -0.57 0.00 0.00 179.45 180.67 2bv3 h LEU 216 N 0.44 1.01 -0.71 2.94 6.46 -0.71 -0.27 115.31 124.47 2bv3 h LEU 216 Ca 0.13 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2bv3 h LEU 216 Cb -0.02 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 2bv3 h LEU 216 CO -0.05 0.91 0.46 0.58 -0.62 0.00 0.00 178.44 179.73 2bv3 h VAL 217 N 1.05 1.15 -1.00 1.05 2.07 -0.87 -0.76 116.25 118.93 2bv3 h VAL 217 Ca 0.24 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2bv3 h VAL 217 Cb 0.22 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2bv3 h VAL 217 CO -0.02 0.17 0.66 -0.08 0.02 0.00 0.00 177.57 178.32 2bv3 h GLU 218 N 0.93 1.32 -0.13 1.57 4.81 -0.45 0.12 114.58 122.75 2bv3 h GLU 218 Ca 0.27 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2bv3 h GLU 218 Cb -0.06 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.02 2bv3 h GLU 218 CO -0.08 0.88 0.05 0.28 -0.73 0.00 0.00 179.01 179.41 2bv3 h VAL 219 N 1.36 1.16 -0.57 0.32 2.07 -0.65 -3.17 116.25 116.77 2bv3 h VAL 219 Ca 0.37 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2bv3 h VAL 219 Cb -0.15 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2bv3 h VAL 219 CO -0.08 0.14 0.28 0.00 0.02 0.00 0.00 177.57 177.93 2bv3 h ALA 220 N 0.89 1.42 -0.10 1.67 0.00 -0.55 -1.41 119.26 121.18 2bv3 h ALA 220 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2bv3 h ALA 220 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bv3 h ALA 220 CO -0.00 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.81 2bv3 h ALA 221 N 1.51 1.71 0.00 0.00 0.00 -0.76 0.13 119.26 121.85 2bv3 h ALA 221 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bv3 h ALA 221 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bv3 h ALA 221 CO -0.03 -0.16 0.00 -0.44 0.00 0.00 0.00 179.25 178.62 2bv3 h ASP 222 N 0.00 0.00 -0.01 0.00 3.32 -1.26 -3.24 116.42 115.23 2bv3 h ASP 222 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2bv3 h ASP 222 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2bv3 h ASP 222 CO -0.00 0.00 -0.25 0.49 -1.72 0.00 0.00 179.24 177.76 2bv3 n PHE 223 N -2.71 0.00 -3.57 4.55 3.72 -0.02 -4.91 117.46 114.52 2bv3 n PHE 223 Ca 0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.22 2bv3 n PHE 223 Cb 0.31 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.70 2bv3 n PHE 223 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2bv3 s ASP 224 N -1.46 1.40 0.20 4.37 3.68 -0.88 -4.96 116.67 119.02 2bv3 s ASP 224 Ca 0.08 -0.13 -0.13 0.00 2.13 0.00 0.00 52.55 54.49 2bv3 s ASP 224 Cb 0.08 0.21 0.22 0.00 -1.45 0.00 0.00 42.92 41.98 2bv3 s ASP 224 CO 0.28 -0.31 1.68 -0.33 0.13 0.00 0.00 175.17 176.63 2bv3 h GLU 225 N 8.35 0.13 -0.94 4.34 3.07 -1.90 -1.83 114.58 125.81 2bv3 h GLU 225 Ca -0.15 -0.01 0.15 0.00 -0.50 0.00 0.00 59.36 58.85 2bv3 h GLU 225 Cb 1.14 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.94 2bv3 h GLU 225 CO 0.24 0.09 0.60 -0.91 -1.40 0.00 0.00 179.01 177.63 2bv3 h ASN 226 N 0.14 0.73 -0.27 1.42 -0.26 -1.96 -1.93 115.58 113.45 2bv3 h ASN 226 Ca 0.27 0.05 -0.19 0.00 -0.56 0.00 0.00 56.30 55.88 2bv3 h ASN 226 Cb 0.42 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2bv3 h ASN 226 CO -0.43 0.35 -0.56 0.40 -1.06 0.00 0.00 177.43 176.13 2bv3 h ILE 227 N 0.76 1.28 -1.00 2.81 2.04 -1.66 -2.92 117.51 118.82 2bv3 h ILE 227 Ca 0.49 -1.74 0.10 0.00 1.00 0.00 0.00 64.86 64.71 2bv3 h ILE 227 Cb 0.73 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 2bv3 h ILE 227 CO -0.25 0.57 0.63 -0.03 0.00 0.00 0.00 178.15 179.07 2bv3 h MET 228 N 0.62 1.01 0.22 2.37 4.05 -1.07 -0.30 114.93 121.83 2bv3 h MET 228 Ca 0.01 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2bv3 h MET 228 Cb 1.17 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2bv3 h MET 228 CO 0.12 0.67 -0.11 1.25 0.23 0.00 0.00 176.91 179.08 2bv3 h LEU 229 N 1.04 -0.25 -0.84 3.39 6.46 -1.42 -1.68 115.31 122.01 2bv3 h LEU 229 Ca 0.47 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 58.13 2bv3 h LEU 229 Cb 0.39 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.32 2bv3 h LEU 229 CO -0.23 0.05 0.50 0.11 -0.62 0.00 0.00 178.44 178.25 2bv3 h LYS 230 N -0.56 0.85 -0.53 1.25 1.57 -1.29 -1.02 116.57 116.84 2bv3 h LYS 230 Ca -0.03 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2bv3 h LYS 230 Cb 0.41 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 2bv3 h LYS 230 CO 0.05 0.57 0.13 -0.92 -0.57 0.00 0.00 179.45 178.70 2bv3 h TYR 231 N 0.88 0.21 -0.49 -1.35 3.20 -0.90 0.46 116.97 118.98 2bv3 h TYR 231 Ca 0.39 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.23 2bv3 h TYR 231 Cb 0.27 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2bv3 h TYR 231 CO -0.04 0.01 0.06 -0.07 -1.64 0.00 0.00 178.16 176.48 2bv3 h LEU 232 N 0.27 0.73 0.00 2.82 4.07 -0.32 -2.78 115.31 120.09 2bv3 h LEU 232 Ca 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2bv3 h LEU 232 Cb 0.36 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2bv3 h LEU 232 CO -0.33 0.76 -0.39 -0.62 -1.08 0.00 0.00 178.44 176.78 2bv3 n GLU 233 N -4.25 0.10 -0.83 1.13 1.02 -0.49 -4.95 120.64 112.38 2bv3 n GLU 233 Ca 0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2bv3 n GLU 233 Cb 0.26 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2bv3 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bv3 n GLY 234 N 1.44 0.51 3.80 0.62 0.00 0.14 -5.06 105.19 106.64 2bv3 n GLY 234 Ca 0.05 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2bv3 n GLY 234 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bv3 s GLU 235 N -1.30 4.35 -0.08 1.61 2.12 0.12 -4.99 118.70 120.52 2bv3 s GLU 235 Ca 0.00 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 55.94 2bv3 s GLU 235 Cb 0.00 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 2bv3 s GLU 235 CO 0.00 0.60 1.03 -2.00 -0.54 0.00 0.00 175.26 174.35 2bv3 s GLU 236 N -1.17 4.43 0.90 4.30 2.56 -1.26 -4.13 118.70 124.33 2bv3 s GLU 236 Ca 0.32 1.43 -0.12 0.00 0.00 0.00 0.00 54.97 56.60 2bv3 s GLU 236 Cb -0.21 -3.53 0.13 0.00 2.00 0.00 0.00 34.13 32.52 2bv3 s GLU 236 CO 0.22 -0.29 1.13 -2.14 -0.56 0.00 0.00 175.26 173.62 2bv3 s PRO 237 N 1.89 1.26 0.22 4.30 0.02 -1.26 -5.05 135.00 136.38 2bv3 s PRO 237 Ca 0.50 0.33 -0.14 0.00 0.02 0.00 0.00 61.00 61.71 2bv3 s PRO 237 Cb -0.19 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 2bv3 s PRO 237 CO 0.20 -2.13 0.61 0.95 -0.33 0.00 0.00 177.00 176.31 2bv3 s THR 238 N -3.27 4.80 0.31 0.99 -4.23 -1.26 -4.96 115.64 108.02 2bv3 s THR 238 Ca 0.63 0.81 0.04 0.00 -1.18 0.00 0.00 61.69 62.00 2bv3 s THR 238 Cb -0.15 -3.69 0.37 0.00 1.34 0.00 0.00 72.50 70.38 2bv3 s THR 238 CO 0.53 0.05 1.60 -0.08 -0.54 0.00 0.00 174.62 176.18 2bv3 h GLU 239 N 2.94 0.06 -0.11 3.99 4.81 -1.96 -0.73 114.58 123.58 2bv3 h GLU 239 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2bv3 h GLU 239 Cb 1.18 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2bv3 h GLU 239 CO 0.67 0.04 0.04 0.93 -0.73 0.00 0.00 179.01 179.96 2bv3 h GLU 240 N 0.06 0.16 -0.24 1.92 3.07 -1.99 -1.12 114.58 116.45 2bv3 h GLU 240 Ca 0.62 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.47 2bv3 h GLU 240 Cb 1.33 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 2bv3 h GLU 240 CO -0.82 0.27 0.08 0.93 -1.40 0.00 0.00 179.01 178.07 2bv3 h GLU 241 N 0.02 0.19 0.26 2.33 5.08 -1.55 -0.29 114.58 120.61 2bv3 h GLU 241 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bv3 h GLU 241 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bv3 h GLU 241 CO -0.00 0.12 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.94 2bv3 h LEU 242 N 0.19 -0.29 -0.67 1.33 3.38 -1.28 0.72 115.31 118.68 2bv3 h LEU 242 Ca 0.10 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2bv3 h LEU 242 Cb 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 2bv3 h LEU 242 CO -0.11 -0.13 0.26 0.58 0.09 0.00 0.00 178.44 179.14 2bv3 h VAL 243 N -0.44 0.73 -0.41 1.22 2.07 -1.12 -0.62 116.25 117.68 2bv3 h VAL 243 Ca -0.04 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2bv3 h VAL 243 Cb 0.34 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2bv3 h VAL 243 CO 0.06 0.08 0.26 0.00 0.02 0.00 0.00 177.57 177.99 2bv3 h ALA 244 N 1.47 0.52 -0.49 1.67 0.00 -0.61 -0.26 119.26 121.56 2bv3 h ALA 244 Ca 0.35 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2bv3 h ALA 244 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bv3 h ALA 244 CO -0.34 -0.01 -0.14 0.00 0.00 0.00 0.00 179.25 178.75 2bv3 h ALA 245 N 1.14 0.68 -0.50 0.00 0.00 -0.31 0.07 119.26 120.34 2bv3 h ALA 245 Ca 0.15 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2bv3 h ALA 245 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2bv3 h ALA 245 CO -0.03 0.61 -0.08 0.82 0.00 0.00 0.00 179.25 180.57 2bv3 h ILE 246 N 0.82 1.26 -0.03 0.00 1.08 -1.08 -2.45 117.51 117.11 2bv3 h ILE 246 Ca 0.12 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 2bv3 h ILE 246 Cb 0.71 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2bv3 h ILE 246 CO 0.05 0.41 0.02 -0.09 -0.69 0.00 0.00 178.15 177.86 2bv3 h ARG 247 N 0.81 0.05 -0.29 2.37 2.43 -0.54 -0.67 114.38 118.54 2bv3 h ARG 247 Ca 0.14 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2bv3 h ARG 247 Cb 0.60 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 2bv3 h ARG 247 CO 0.04 0.05 -0.34 -0.22 -1.51 0.00 0.00 179.97 177.99 2bv3 h LYS 248 N 0.03 -0.31 -0.86 0.20 3.64 -0.96 -0.56 116.57 117.74 2bv3 h LYS 248 Ca 0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2bv3 h LYS 248 Cb 0.02 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2bv3 h LYS 248 CO -0.00 -0.21 0.45 0.78 -2.27 0.00 0.00 179.45 178.20 2bv3 h GLY 249 N -0.33 1.30 0.92 5.01 0.00 -1.27 0.17 103.07 108.87 2bv3 h GLY 249 Ca 0.14 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2bv3 h GLY 249 CO -0.47 0.58 0.02 -0.84 0.00 0.00 0.00 176.54 175.82 2bv3 h THR 250 N 1.21 1.07 -0.41 4.70 2.02 -0.89 0.92 112.91 121.54 2bv3 h THR 250 Ca 0.30 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 2bv3 h THR 250 Cb 0.06 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2bv3 h THR 250 CO -0.04 0.06 -0.19 0.40 0.37 0.00 0.00 175.52 176.12 2bv3 h ILE 251 N -0.04 1.27 0.00 3.11 2.04 -0.93 -1.82 117.51 121.13 2bv3 h ILE 251 Ca 0.01 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2bv3 h ILE 251 Cb 0.08 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2bv3 h ILE 251 CO -0.00 0.43 0.00 -0.67 0.00 0.00 0.00 178.15 177.91 2bv3 n ASP 252 N -4.13 0.00 -0.93 1.72 4.64 0.57 -4.75 116.55 113.66 2bv3 n ASP 252 Ca 0.01 -0.72 -0.12 0.00 -1.38 0.00 0.00 54.79 52.58 2bv3 n ASP 252 Cb 0.41 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.44 2bv3 n ASP 252 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2bv3 n LEU 253 N -0.93 -0.85 -0.07 -2.67 4.32 -0.68 -4.90 117.00 111.22 2bv3 n LEU 253 Ca 0.13 0.30 -0.13 0.00 -0.02 0.00 0.00 56.01 56.29 2bv3 n LEU 253 Cb 0.06 -1.96 -0.14 0.00 -1.62 0.00 0.00 43.42 39.76 2bv3 n LEU 253 CO 0.10 -0.68 -0.98 0.29 -1.22 0.00 0.00 177.39 174.90 2bv3 n LYS 254 N -2.50 0.68 -4.56 3.23 4.76 0.25 -4.98 118.16 115.04 2bv3 n LYS 254 Ca -0.12 0.15 -0.26 0.00 -2.87 0.00 0.00 58.31 55.21 2bv3 n LYS 254 Cb 0.42 -1.62 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 2bv3 n LYS 254 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2bv3 s ILE 255 N -2.54 1.63 -0.29 -0.18 -4.36 -1.16 -4.70 121.20 109.60 2bv3 s ILE 255 Ca -0.16 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.19 2bv3 s ILE 255 Cb 0.07 -2.88 0.10 0.00 1.25 0.00 0.00 42.46 41.01 2bv3 s ILE 255 CO 0.77 0.00 0.12 -0.89 0.24 0.00 0.00 174.94 175.18 2bv3 s THR 256 N -2.95 0.18 0.21 8.37 2.01 -1.06 -4.36 115.64 118.03 2bv3 s THR 256 Ca 0.34 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 2bv3 s THR 256 Cb 0.09 -1.14 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 2bv3 s THR 256 CO 0.16 -0.69 1.56 -2.84 -0.69 0.00 0.00 174.62 172.11 2bv3 s PRO 257 N 1.97 4.20 -0.21 4.92 0.02 -1.26 -1.77 135.00 142.87 2bv3 s PRO 257 Ca 0.09 2.40 -0.09 0.00 0.02 0.00 0.00 61.00 63.42 2bv3 s PRO 257 Cb -0.16 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 2bv3 s PRO 257 CO -0.33 -0.58 0.12 0.08 -0.33 0.00 0.00 177.00 175.96 2bv3 s VAL 258 N 0.69 5.15 0.30 3.83 1.01 -0.36 -1.50 120.40 129.52 2bv3 s VAL 258 Ca 0.67 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.85 2bv3 s VAL 258 Cb -0.44 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2bv3 s VAL 258 CO 0.37 0.40 -0.06 -0.36 0.00 0.00 0.00 175.10 175.45 2bv3 s PHE 259 N 0.72 2.51 0.18 5.22 0.40 -0.44 -2.79 117.98 123.77 2bv3 s PHE 259 Ca 0.06 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2bv3 s PHE 259 Cb -0.13 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2bv3 s PHE 259 CO 0.02 0.60 0.09 -0.48 0.70 0.00 0.00 175.22 176.14 2bv3 s LEU 260 N -3.64 1.54 0.00 -0.37 -0.00 -1.26 0.13 118.68 115.08 2bv3 s LEU 260 Ca 0.32 -1.30 0.00 0.00 -0.00 0.00 0.00 54.13 53.15 2bv3 s LEU 260 Cb -0.04 0.25 0.00 0.00 -0.00 0.00 0.00 46.19 46.40 2bv3 s LEU 260 CO 0.18 -0.76 0.00 0.61 -0.00 0.00 0.00 176.35 176.38 2bv3 n GLY 261 N -0.24 -1.10 2.64 -3.48 0.00 -0.50 -4.65 105.19 97.87 2bv3 n GLY 261 Ca -0.02 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2bv3 n GLY 261 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bv3 s SER 262 N -4.00 3.56 0.25 1.61 0.15 0.24 -2.27 113.70 113.25 2bv3 s SER 262 Ca 0.00 -1.31 -0.05 0.00 0.70 0.00 0.00 55.95 55.28 2bv3 s SER 262 Cb 0.00 -0.56 0.30 0.00 -1.71 0.00 0.00 66.02 64.05 2bv3 s SER 262 CO 0.00 -0.41 1.90 0.00 1.20 0.00 0.00 173.24 175.93 2bv3 h ALA 263 N 8.27 1.27 -0.60 5.45 0.00 -1.95 -0.75 119.26 130.95 2bv3 h ALA 263 Ca -0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2bv3 h ALA 263 Cb 1.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2bv3 h ALA 263 CO 0.43 0.53 0.04 1.25 0.00 0.00 0.00 179.25 181.50 2bv3 h LEU 264 N 1.23 1.00 -3.22 0.00 5.85 -1.94 -2.71 115.31 115.53 2bv3 h LEU 264 Ca 0.38 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2bv3 h LEU 264 Cb -0.02 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.74 2bv3 h LEU 264 CO -0.12 1.04 0.00 0.29 -0.34 0.00 0.00 178.44 179.32 2bv3 n LYS 265 N -4.24 4.32 -3.63 1.25 5.02 -1.09 -4.94 118.16 114.85 2bv3 n LYS 265 Ca 0.03 -2.80 -0.27 0.00 -2.02 0.00 0.00 58.31 53.25 2bv3 n LYS 265 Cb 0.32 -2.12 0.03 0.00 -0.02 0.00 0.00 35.03 33.24 2bv3 n LYS 265 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bv3 n ASN 266 N 0.67 -5.57 -3.71 4.39 3.02 -0.40 -4.40 115.26 109.26 2bv3 n ASN 266 Ca 0.25 -0.89 -0.15 0.00 -0.03 0.00 0.00 54.58 53.77 2bv3 n ASN 266 Cb 1.05 -3.29 -0.15 0.00 -0.61 0.00 0.00 39.78 36.78 2bv3 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bv3 s LYS 267 N -5.44 0.08 0.00 3.52 1.02 -0.57 -4.27 119.74 114.09 2bv3 s LYS 267 Ca 0.33 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.80 2bv3 s LYS 267 Cb -0.12 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.99 2bv3 s LYS 267 CO 0.86 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 2bv3 n GLY 268 N 4.68 0.44 0.16 -3.33 0.00 -1.26 -0.59 105.19 105.29 2bv3 n GLY 268 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2bv3 n GLY 268 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bv3 h VAL 269 N 0.00 1.37 -0.75 1.61 2.07 -1.89 -1.01 116.25 117.65 2bv3 h VAL 269 Ca 0.00 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 2bv3 h VAL 269 Cb 0.00 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2bv3 h VAL 269 CO 0.00 0.53 0.26 1.56 0.02 0.00 0.00 177.57 179.94 2bv3 h GLN 270 N 0.08 1.14 -0.17 1.57 4.20 -1.97 -0.33 115.11 119.64 2bv3 h GLN 270 Ca -0.03 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 2bv3 h GLN 270 Cb 1.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2bv3 h GLN 270 CO 0.09 0.95 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.94 2bv3 h LEU 271 N 1.11 0.27 -0.46 1.46 3.38 -1.97 0.14 115.31 119.24 2bv3 h LEU 271 Ca 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2bv3 h LEU 271 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2bv3 h LEU 271 CO -0.01 0.49 0.17 0.25 0.09 0.00 0.00 178.44 179.43 2bv3 h LEU 272 N 0.26 0.64 -0.57 1.67 5.85 -0.66 -1.96 115.31 120.54 2bv3 h LEU 272 Ca 0.05 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2bv3 h LEU 272 Cb 0.50 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2bv3 h LEU 272 CO 0.03 0.65 0.16 -0.07 -0.34 0.00 0.00 178.44 178.87 2bv3 h LEU 273 N 0.60 0.85 -0.92 2.25 -0.00 0.32 -0.52 115.31 117.89 2bv3 h LEU 273 Ca 0.15 -0.22 0.16 0.00 -0.00 0.00 0.00 57.88 57.97 2bv3 h LEU 273 Cb 0.21 -0.22 -0.10 0.00 -0.00 0.00 0.00 40.66 40.55 2bv3 h LEU 273 CO -0.01 0.85 0.52 0.44 -0.00 0.00 0.00 178.44 180.25 2bv3 h ASP 274 N 0.82 0.68 0.01 -0.43 3.32 -0.75 -2.05 116.42 118.02 2bv3 h ASP 274 Ca 0.18 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 2bv3 h ASP 274 Cb 0.32 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2bv3 h ASP 274 CO -0.00 0.28 -0.44 0.00 -1.72 0.00 0.00 179.24 177.36 2bv3 h ALA 275 N 1.58 0.84 -0.51 3.45 0.00 -0.35 0.13 119.26 124.39 2bv3 h ALA 275 Ca 0.51 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2bv3 h ALA 275 Cb 0.70 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2bv3 h ALA 275 CO -0.35 0.65 0.15 0.28 0.00 0.00 0.00 179.25 179.98 2bv3 h VAL 276 N 0.42 0.77 -0.21 0.00 2.07 -0.49 0.13 116.25 118.95 2bv3 h VAL 276 Ca 0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2bv3 h VAL 276 Cb 0.95 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2bv3 h VAL 276 CO 0.08 0.06 -0.04 0.58 0.02 0.00 0.00 177.57 178.27 2bv3 h VAL 277 N 0.31 1.28 0.18 2.57 2.07 -0.98 -2.84 116.25 118.85 2bv3 h VAL 277 Ca 0.25 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2bv3 h VAL 277 Cb 0.31 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2bv3 h VAL 277 CO -0.29 0.31 -0.09 0.44 0.02 0.00 0.00 177.57 177.96 2bv3 h ASP 278 N 0.13 -0.21 0.00 0.57 3.45 -0.42 -3.39 116.42 116.54 2bv3 h ASP 278 Ca 0.05 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 2bv3 h ASP 278 Cb 0.49 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 2bv3 h ASP 278 CO 0.02 0.02 -1.43 -1.22 -1.57 0.00 0.00 179.24 175.06 2bv3 n TYR 279 N -5.11 0.00 -2.99 4.55 4.01 0.44 -4.83 117.16 113.23 2bv3 n TYR 279 Ca -0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.33 2bv3 n TYR 279 Cb 0.19 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 2bv3 n TYR 279 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2bv3 s LEU 280 N -3.80 3.99 0.37 7.72 1.02 -1.07 -4.65 118.68 122.26 2bv3 s LEU 280 Ca -0.03 1.39 -0.22 0.00 0.02 0.00 0.00 54.13 55.29 2bv3 s LEU 280 Cb 0.05 -4.22 -0.10 0.00 0.02 0.00 0.00 46.19 41.94 2bv3 s LEU 280 CO 0.36 -0.28 0.91 -2.16 0.02 0.00 0.00 176.35 175.19 2bv3 s PRO 281 N -3.17 4.31 0.92 1.29 0.04 -1.26 -4.85 135.00 132.28 2bv3 s PRO 281 Ca 0.56 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 2bv3 s PRO 281 Cb -0.10 -2.44 0.18 0.00 0.04 0.00 0.00 34.50 32.19 2bv3 s PRO 281 CO 0.18 0.11 1.28 -1.54 0.04 0.00 0.00 177.00 177.07 2bv3 s SER 282 N -1.99 3.37 0.31 6.66 1.04 -1.26 -4.43 113.70 117.40 2bv3 s SER 282 Ca 0.56 0.26 0.24 0.00 0.48 0.00 0.00 55.95 57.49 2bv3 s SER 282 Cb -0.12 -0.38 1.13 0.00 0.10 0.00 0.00 66.02 66.74 2bv3 s SER 282 CO 0.17 -2.57 1.71 -0.65 0.98 0.00 0.00 173.24 172.89 2bv3 h PRO 283 N -1.48 0.00 0.00 4.02 0.11 -1.79 -2.20 132.00 130.66 2bv3 h PRO 283 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2bv3 h PRO 283 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2bv3 h PRO 283 CO 0.41 0.00 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.61 2bv3 h LEU 284 N 0.00 0.00 0.00 2.35 3.38 -1.94 -3.35 115.31 115.75 2bv3 h LEU 284 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2bv3 h LEU 284 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bv3 h LEU 284 CO 0.00 0.05 -0.52 0.47 0.09 0.00 0.00 178.44 178.53 2bv3 n ASP 285 N -2.39 0.66 -4.57 -0.43 8.00 -0.83 -4.85 116.55 112.15 2bv3 n ASP 285 Ca 0.03 0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2bv3 n ASP 285 Cb 0.47 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 2bv3 n ASP 285 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2bv3 s ILE 286 N -3.13 3.57 0.39 0.53 -4.36 -1.25 -4.99 121.20 111.96 2bv3 s ILE 286 Ca 0.08 -0.61 -0.25 0.00 -0.26 0.00 0.00 60.65 59.61 2bv3 s ILE 286 Cb 0.14 -2.48 -0.11 0.00 1.25 0.00 0.00 42.46 41.26 2bv3 s ILE 286 CO 0.70 0.54 1.09 -0.81 0.24 0.00 0.00 174.94 176.70 2bv3 n PRO 287 N 2.05 1.55 -2.06 0.37 -0.04 -1.26 -4.92 135.00 130.69 2bv3 n PRO 287 Ca -0.17 0.55 -0.33 0.00 -0.04 0.00 0.00 63.50 63.51 2bv3 n PRO 287 Cb 0.53 -2.11 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 2bv3 n PRO 287 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2bv3 s PRO 288 N -1.97 3.29 0.62 0.54 0.04 -1.26 -5.03 135.00 131.23 2bv3 s PRO 288 Ca 0.61 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 2bv3 s PRO 288 Cb -0.57 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2bv3 s PRO 288 CO 0.58 -0.84 1.15 -1.50 0.04 0.00 0.00 177.00 176.44 2bv3 s ILE 289 N -2.37 2.94 0.03 0.56 2.07 -1.26 -4.78 121.20 118.38 2bv3 s ILE 289 Ca 0.65 0.52 -0.02 0.00 -1.41 0.00 0.00 60.65 60.39 2bv3 s ILE 289 Cb -0.17 -3.12 -0.04 0.00 0.13 0.00 0.00 42.46 39.26 2bv3 s ILE 289 CO 0.36 -0.19 0.21 -0.54 -1.91 0.00 0.00 174.94 172.87 2bv3 s LYS 290 N -3.63 3.46 0.07 3.50 1.02 -1.26 -1.92 119.74 120.99 2bv3 s LYS 290 Ca 0.72 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.42 2bv3 s LYS 290 Cb -0.25 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2bv3 s LYS 290 CO 0.35 0.63 -0.13 0.20 -0.92 0.00 0.00 175.35 175.49 2bv3 s GLY 291 N -2.18 0.81 -0.30 -3.33 0.00 0.10 -4.70 107.32 97.72 2bv3 s GLY 291 Ca 0.31 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.93 2bv3 s GLY 291 CO 0.23 -1.04 0.18 -1.59 0.00 0.00 0.00 173.10 170.88 2bv3 s THR 292 N -1.47 4.96 0.87 0.90 2.01 0.39 -0.75 115.64 122.54 2bv3 s THR 292 Ca -0.02 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 2bv3 s THR 292 Cb -0.09 -3.46 0.11 0.00 0.01 0.00 0.00 72.50 69.07 2bv3 s THR 292 CO 0.02 0.13 1.12 0.42 -0.69 0.00 0.00 174.62 175.61 2bv3 s THR 293 N 1.69 2.44 0.18 -0.82 -4.23 -0.93 -0.93 115.64 113.03 2bv3 s THR 293 Ca 0.06 0.14 -0.20 0.00 -1.18 0.00 0.00 61.69 60.51 2bv3 s THR 293 Cb -0.17 -2.88 0.12 0.00 1.34 0.00 0.00 72.50 70.91 2bv3 s THR 293 CO 0.08 -0.19 1.60 -0.65 -0.54 0.00 0.00 174.62 174.93 2bv3 h PRO 294 N -1.34 -0.16 0.00 3.99 0.11 -1.93 -1.30 132.00 131.36 2bv3 h PRO 294 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bv3 h PRO 294 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2bv3 h PRO 294 CO 0.61 -0.11 0.00 -1.91 -0.21 0.00 0.00 178.00 176.38 2bv3 n GLU 295 N -5.42 0.09 0.00 1.05 4.07 -1.26 -4.85 120.64 114.32 2bv3 n GLU 295 Ca 0.03 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2bv3 n GLU 295 Cb 0.34 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2bv3 n GLU 295 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bv3 n GLY 296 N -0.74 0.45 3.78 8.31 0.00 -0.49 -5.06 105.19 111.43 2bv3 n GLY 296 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2bv3 n GLY 296 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bv3 s GLU 297 N -0.90 3.08 -0.45 1.61 1.03 -1.26 -4.66 118.70 117.15 2bv3 s GLU 297 Ca 0.00 1.43 -0.18 0.00 0.03 0.00 0.00 54.97 56.24 2bv3 s GLU 297 Cb 0.00 -1.99 0.04 0.00 -0.80 0.00 0.00 34.13 31.38 2bv3 s GLU 297 CO 0.00 -1.03 0.54 0.08 -1.33 0.00 0.00 175.26 173.52 2bv3 s VAL 298 N -2.17 4.97 0.12 1.83 1.01 -1.26 -2.19 120.40 122.71 2bv3 s VAL 298 Ca 0.68 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2bv3 s VAL 298 Cb -0.21 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2bv3 s VAL 298 CO 0.36 -0.59 -0.06 -0.69 0.00 0.00 0.00 175.10 174.12 2bv3 s VAL 299 N 2.41 3.56 0.29 2.92 1.01 0.07 -4.89 120.40 125.77 2bv3 s VAL 299 Ca 0.15 -1.28 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 2bv3 s VAL 299 Cb -0.18 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 2bv3 s VAL 299 CO 0.14 0.05 0.83 -1.61 0.00 0.00 0.00 175.10 174.50 2bv3 s GLU 300 N -2.44 4.35 -0.22 2.72 2.02 -1.26 0.01 118.70 123.88 2bv3 s GLU 300 Ca 0.24 1.04 0.01 0.00 0.02 0.00 0.00 54.97 56.29 2bv3 s GLU 300 Cb -0.11 -2.74 0.05 0.00 0.10 0.00 0.00 34.13 31.44 2bv3 s GLU 300 CO 0.16 0.29 -0.11 0.96 0.02 0.00 0.00 175.26 176.58 2bv3 s ILE 301 N -1.67 1.83 0.19 -1.63 -4.36 -0.81 -4.91 121.20 109.84 2bv3 s ILE 301 Ca 0.49 -1.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.41 2bv3 s ILE 301 Cb -0.16 -1.91 -0.08 0.00 1.25 0.00 0.00 42.46 41.56 2bv3 s ILE 301 CO 0.21 0.12 0.80 -1.00 0.24 0.00 0.00 174.94 175.30 2bv3 s HIS 302 N 1.30 3.88 -1.09 1.37 3.76 -1.26 -4.27 115.29 118.98 2bv3 s HIS 302 Ca -0.03 1.65 -0.25 0.00 -0.15 0.00 0.00 55.06 56.28 2bv3 s HIS 302 Cb -0.17 -2.78 -0.15 0.00 1.11 0.00 0.00 32.58 30.59 2bv3 s HIS 302 CO -0.08 0.48 2.05 -1.25 -0.85 0.00 0.00 174.74 175.09 2bv3 s PRO 303 N -1.29 1.88 -0.21 8.40 0.04 -1.24 -4.56 135.00 138.02 2bv3 s PRO 303 Ca 0.38 -0.66 0.02 0.00 0.04 0.00 0.00 61.00 60.78 2bv3 s PRO 303 Cb -0.23 -5.08 0.03 0.00 0.04 0.00 0.00 34.50 29.27 2bv3 s PRO 303 CO 0.26 -4.61 -0.16 0.34 0.04 0.00 0.00 177.00 172.87 2bv3 s ASP 304 N 7.82 3.65 0.56 6.66 2.15 -1.26 -4.98 116.67 131.26 2bv3 s ASP 304 Ca 0.76 -0.93 0.34 0.00 0.43 0.00 0.00 52.55 53.15 2bv3 s ASP 304 Cb -0.04 -1.51 1.49 0.00 -0.30 0.00 0.00 42.92 42.55 2bv3 s ASP 304 CO 0.14 -0.07 2.03 -0.65 -0.17 0.00 0.00 175.17 176.44 2bv3 h PRO 305 N 7.88 0.00 -0.53 4.34 0.11 -1.90 0.24 132.00 142.14 2bv3 h PRO 305 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2bv3 h PRO 305 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2bv3 h PRO 305 CO 0.57 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 2bv3 n ASN 306 N -3.14 3.56 -4.01 -2.05 5.03 -1.26 -3.43 115.26 109.95 2bv3 n ASN 306 Ca -0.00 -1.98 -0.24 0.00 0.87 0.00 0.00 54.58 53.23 2bv3 n ASN 306 Cb 0.28 -0.35 0.15 0.00 -1.02 0.00 0.00 39.78 38.84 2bv3 n ASN 306 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bv3 n GLY 307 N 1.38 -0.54 3.79 7.41 0.00 -0.99 -4.97 105.19 111.27 2bv3 n GLY 307 Ca 0.20 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 2bv3 n GLY 307 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bv3 s PRO 308 N -5.33 3.40 0.11 1.61 0.04 -1.26 -3.58 135.00 129.99 2bv3 s PRO 308 Ca 0.66 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 2bv3 s PRO 308 Cb -0.03 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2bv3 s PRO 308 CO 0.45 -0.77 1.32 -1.17 0.04 0.00 0.00 177.00 176.87 2bv3 s LEU 309 N -4.04 4.38 -0.09 -3.56 2.96 -1.26 -2.88 118.68 114.19 2bv3 s LEU 309 Ca 0.68 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.79 2bv3 s LEU 309 Cb -0.19 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 42.96 2bv3 s LEU 309 CO 0.29 -0.57 0.15 0.00 -1.32 0.00 0.00 176.35 174.90 2bv3 s ALA 310 N 0.93 -0.12 0.08 5.97 0.00 -0.80 -3.24 121.76 124.59 2bv3 s ALA 310 Ca 0.61 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2bv3 s ALA 310 Cb -0.34 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2bv3 s ALA 310 CO 0.31 -0.60 -0.06 0.00 0.00 0.00 0.00 175.76 175.41 2bv3 s ALA 311 N 2.28 0.77 -0.07 0.00 0.00 -0.06 -0.35 121.76 124.33 2bv3 s ALA 311 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2bv3 s ALA 311 Cb -0.12 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2bv3 s ALA 311 CO -0.06 -0.24 -0.08 -1.17 0.00 0.00 0.00 175.76 174.22 2bv3 s LEU 312 N -2.74 1.40 -0.09 0.00 1.98 -0.30 -0.64 118.68 118.29 2bv3 s LEU 312 Ca 0.06 -0.23 -0.22 0.00 -2.89 0.00 0.00 54.13 50.86 2bv3 s LEU 312 Cb 0.03 -0.67 -0.04 0.00 0.66 0.00 0.00 46.19 46.17 2bv3 s LEU 312 CO -0.05 -0.03 0.65 0.00 -1.89 0.00 0.00 176.35 175.02 2bv3 s ALA 313 N 0.98 3.38 0.00 5.97 0.00 -0.65 -0.73 121.76 130.71 2bv3 s ALA 313 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2bv3 s ALA 313 Cb -0.15 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2bv3 s ALA 313 CO 0.00 -0.12 0.32 1.97 0.00 0.00 0.00 175.76 177.93 2bv3 n PHE 314 N 3.86 0.00 -3.63 0.00 1.16 -0.81 0.68 117.46 118.72 2bv3 n PHE 314 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.48 2bv3 n PHE 314 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.32 2bv3 n PHE 314 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2bv3 s LYS 315 N -0.02 0.37 -0.06 3.97 2.20 -1.25 -4.85 119.74 120.10 2bv3 s LYS 315 Ca 0.00 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.02 2bv3 s LYS 315 Cb 0.00 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2bv3 s LYS 315 CO 0.00 -0.06 -0.23 0.42 -0.36 0.00 0.00 175.35 175.12 2bv3 s ILE 316 N -0.09 1.87 -0.04 5.43 1.09 -1.26 -1.46 121.20 126.73 2bv3 s ILE 316 Ca 0.04 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.65 2bv3 s ILE 316 Cb -0.04 -1.59 0.01 0.00 -1.06 0.00 0.00 42.46 39.78 2bv3 s ILE 316 CO -0.08 0.52 -0.10 -0.04 -0.10 0.00 0.00 174.94 175.15 2bv3 s MET 317 N -0.07 1.22 -1.25 2.79 -1.94 -0.51 -5.00 119.30 114.54 2bv3 s MET 317 Ca -0.05 -0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 53.49 2bv3 s MET 317 Cb -0.13 -1.09 0.15 0.00 2.01 0.00 0.00 34.83 35.77 2bv3 s MET 317 CO 0.04 0.05 1.60 0.00 -0.01 0.00 0.00 175.02 176.70 2bv3 n ALA 318 N 3.60 4.23 -1.85 3.03 0.00 -1.26 -0.68 120.51 127.58 2bv3 n ALA 318 Ca -0.21 -4.20 -0.35 0.00 0.00 0.00 0.00 53.44 48.68 2bv3 n ALA 318 Cb 0.53 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.79 2bv3 n ALA 318 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2bv3 s ASP 319 N 2.57 7.07 0.13 0.00 -4.77 -1.24 -4.98 116.67 115.46 2bv3 s ASP 319 Ca 0.44 1.69 -0.14 0.00 -3.30 0.00 0.00 52.55 51.23 2bv3 s ASP 319 Cb 0.01 -2.53 -0.00 0.00 -1.09 0.00 0.00 42.92 39.31 2bv3 s ASP 319 CO 0.01 -0.22 1.61 -0.65 0.70 0.00 0.00 175.17 176.62 2bv3 h PRO 320 N 2.47 0.74 -0.31 2.11 0.11 -1.95 -2.54 132.00 132.64 2bv3 h PRO 320 Ca -0.48 -0.21 -0.12 0.00 0.11 0.00 0.00 66.00 65.30 2bv3 h PRO 320 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2bv3 h PRO 320 CO 0.63 0.78 -0.32 1.88 -0.21 0.00 0.00 178.00 180.76 2bv3 h TYR 321 N 0.59 0.77 0.00 0.65 0.05 -2.02 -3.33 116.97 113.69 2bv3 h TYR 321 Ca 0.13 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2bv3 h TYR 321 Cb 0.41 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2bv3 h TYR 321 CO 0.03 0.90 0.00 1.33 -1.05 0.00 0.00 178.16 179.37 2bv3 n VAL 322 N -4.07 0.40 -4.24 -2.88 0.24 -1.26 -5.14 118.33 101.39 2bv3 n VAL 322 Ca -0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2bv3 n VAL 322 Cb 0.48 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 2bv3 n VAL 322 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bv3 n GLY 323 N -0.20 -0.47 3.45 7.63 0.00 -0.96 -4.86 105.19 109.78 2bv3 n GLY 323 Ca 0.00 -1.09 -0.53 0.00 0.00 0.00 0.00 46.02 44.40 2bv3 n GLY 323 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bv3 n ARG 324 N 0.00 0.92 -3.97 1.61 0.63 -1.26 -3.72 116.66 110.87 2bv3 n ARG 324 Ca 0.00 0.27 -0.36 0.00 -0.92 0.00 0.00 57.85 56.83 2bv3 n ARG 324 Cb 0.00 -2.24 -0.07 0.00 0.45 0.00 0.00 32.46 30.60 2bv3 n ARG 324 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bv3 s LEU 325 N 6.47 4.20 -0.22 6.15 1.43 0.15 -4.31 118.68 132.54 2bv3 s LEU 325 Ca 1.09 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 2bv3 s LEU 325 Cb -1.00 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2bv3 s LEU 325 CO 0.55 0.38 -0.11 -0.89 0.23 0.00 0.00 176.35 176.51 2bv3 s THR 326 N -0.84 1.85 0.10 5.49 2.01 -0.90 -1.43 115.64 121.93 2bv3 s THR 326 Ca 0.14 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.62 2bv3 s THR 326 Cb -0.12 -1.94 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 2bv3 s THR 326 CO 0.03 0.10 0.83 -0.36 -0.69 0.00 0.00 174.62 174.52 2bv3 s PHE 327 N 1.28 3.81 0.05 4.92 0.08 -0.53 0.11 117.98 127.70 2bv3 s PHE 327 Ca -0.04 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.65 2bv3 s PHE 327 Cb -0.18 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.37 2bv3 s PHE 327 CO -0.07 0.32 -0.07 0.96 -0.10 0.00 0.00 175.22 176.26 2bv3 s ILE 328 N -0.35 0.52 -0.16 0.64 -0.00 0.44 -1.93 121.20 120.36 2bv3 s ILE 328 Ca 0.40 -1.24 0.00 0.00 -0.00 0.00 0.00 60.65 59.81 2bv3 s ILE 328 Cb -0.22 -0.80 -0.00 0.00 -0.00 0.00 0.00 42.46 41.44 2bv3 s ILE 328 CO 0.26 -0.50 -0.15 -0.60 -0.00 0.00 0.00 174.94 173.95 2bv3 s ARG 329 N -2.05 3.22 -0.20 0.37 6.06 0.09 -2.12 118.95 124.32 2bv3 s ARG 329 Ca -0.06 -0.75 -0.20 0.00 -2.50 0.00 0.00 55.73 52.22 2bv3 s ARG 329 Cb -0.07 -2.63 -0.03 0.00 0.06 0.00 0.00 34.95 32.28 2bv3 s ARG 329 CO -0.01 0.01 0.60 0.08 -2.50 0.00 0.00 175.30 173.48 2bv3 s VAL 330 N 0.83 5.04 -0.22 7.11 1.01 -0.49 -1.15 120.40 132.53 2bv3 s VAL 330 Ca -0.05 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 2bv3 s VAL 330 Cb -0.15 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 2bv3 s VAL 330 CO -0.00 0.12 -0.04 -1.22 0.00 0.00 0.00 175.10 173.96 2bv3 n TYR 331 N 5.01 0.41 -4.13 5.22 4.01 0.53 -0.27 117.16 127.93 2bv3 n TYR 331 Ca -0.02 0.09 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 2bv3 n TYR 331 Cb 0.50 -1.05 -0.10 0.00 -0.31 0.00 0.00 39.34 38.38 2bv3 n TYR 331 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2bv3 s SER 332 N -6.70 0.43 0.51 7.72 1.04 -1.05 -3.69 113.70 111.96 2bv3 s SER 332 Ca -0.31 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2bv3 s SER 332 Cb 0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2bv3 s SER 332 CO 0.65 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2bv3 n GLY 333 N -0.02 -0.12 2.82 7.32 0.00 0.81 -1.89 105.19 114.10 2bv3 n GLY 333 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2bv3 n GLY 333 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bv3 s THR 334 N 0.00 -0.05 -0.28 2.61 2.01 -1.22 -1.57 115.64 117.14 2bv3 s THR 334 Ca 0.00 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 2bv3 s THR 334 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 2bv3 s THR 334 CO 0.00 0.08 0.37 -0.22 -0.69 0.00 0.00 174.62 174.16 2bv3 s LEU 335 N 1.03 4.07 -0.17 4.42 2.96 0.87 -4.80 118.68 127.06 2bv3 s LEU 335 Ca -0.08 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.99 2bv3 s LEU 335 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2bv3 s LEU 335 CO -0.04 -0.20 0.07 -0.89 -1.32 0.00 0.00 176.35 173.98 2bv3 s THR 336 N 2.06 4.90 0.20 3.68 2.01 -1.26 -0.54 115.64 126.69 2bv3 s THR 336 Ca 0.15 -0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.82 2bv3 s THR 336 Cb -0.16 -3.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.04 2bv3 s THR 336 CO 0.10 0.48 1.72 -0.24 -0.69 0.00 0.00 174.62 176.00 2bv3 n SER 337 N 3.30 3.93 0.00 3.53 2.88 -0.72 -3.43 113.62 123.11 2bv3 n SER 337 Ca -0.17 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2bv3 n SER 337 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2bv3 n SER 337 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bv3 n GLY 338 N 3.95 0.90 3.48 0.46 0.00 -0.06 -5.02 105.19 108.91 2bv3 n GLY 338 Ca 0.16 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 2bv3 n GLY 338 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bv3 s SER 339 N -2.59 2.71 -0.02 1.61 1.04 -1.20 -4.96 113.70 110.29 2bv3 s SER 339 Ca 0.00 -1.35 -0.14 0.00 0.48 0.00 0.00 55.95 54.93 2bv3 s SER 339 Cb 0.00 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 2bv3 s SER 339 CO 0.00 -0.55 0.39 -0.31 0.98 0.00 0.00 173.24 173.75 2bv3 s TYR 340 N -3.15 3.70 0.50 5.02 2.02 -1.26 -1.56 117.35 122.62 2bv3 s TYR 340 Ca 0.35 0.94 0.02 0.00 -0.37 0.00 0.00 57.07 58.02 2bv3 s TYR 340 Cb 0.08 -2.28 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2bv3 s TYR 340 CO 0.16 0.62 0.04 0.14 -1.57 0.00 0.00 175.55 174.94 2bv3 s VAL 341 N -0.96 1.32 -0.11 0.71 -7.23 -0.21 -3.94 120.40 109.98 2bv3 s VAL 341 Ca 0.23 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2bv3 s VAL 341 Cb -0.16 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2bv3 s VAL 341 CO 0.12 0.00 -0.13 -0.47 -0.31 0.00 0.00 175.10 174.31 2bv3 s TYR 342 N -2.84 1.85 -0.64 2.82 5.04 0.14 -1.08 117.35 122.63 2bv3 s TYR 342 Ca 0.12 -0.90 -0.25 0.00 -2.44 0.00 0.00 57.07 53.60 2bv3 s TYR 342 Cb 0.02 -1.37 0.04 0.00 0.35 0.00 0.00 41.96 41.00 2bv3 s TYR 342 CO 0.07 -0.50 1.10 1.21 -1.34 0.00 0.00 175.55 176.09 2bv3 s ASN 343 N 1.20 6.27 0.40 4.32 3.84 0.24 -0.15 114.94 131.05 2bv3 s ASN 343 Ca -0.03 -0.43 0.21 0.00 0.21 0.00 0.00 52.86 52.83 2bv3 s ASN 343 Cb -0.14 -2.49 0.75 0.00 -0.55 0.00 0.00 41.25 38.82 2bv3 s ASN 343 CO -0.04 -1.51 1.76 0.71 -2.79 0.00 0.00 177.10 175.22 2bv3 h THR 344 N 6.04 0.70 0.00 -5.21 1.35 -1.48 0.45 112.91 114.76 2bv3 h THR 344 Ca -0.27 -1.36 -0.08 0.00 -0.55 0.00 0.00 66.41 64.16 2bv3 h THR 344 Cb 1.06 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 2bv3 h THR 344 CO 1.19 0.29 -0.36 0.74 -0.25 0.00 0.00 175.52 177.13 2bv3 h THR 345 N 0.00 0.84 0.00 6.82 2.02 -1.90 -3.32 112.91 117.38 2bv3 h THR 345 Ca -0.00 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.69 2bv3 h THR 345 Cb 0.86 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2bv3 h THR 345 CO 0.04 0.35 -0.41 1.17 0.37 0.00 0.00 175.52 177.04 2bv3 n LYS 346 N -3.51 4.44 -2.82 6.66 4.81 -1.11 -5.04 118.16 121.59 2bv3 n LYS 346 Ca -0.00 -0.01 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 2bv3 n LYS 346 Cb 0.50 -0.78 0.05 0.00 0.02 0.00 0.00 35.03 34.83 2bv3 n LYS 346 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bv3 n GLY 347 N 1.36 -0.59 3.13 3.14 0.00 0.15 -5.05 105.19 107.33 2bv3 n GLY 347 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bv3 n GLY 347 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bv3 s ARG 348 N -4.12 0.30 0.34 1.61 1.81 -0.97 -4.98 118.95 112.93 2bv3 s ARG 348 Ca 0.31 0.28 -0.28 0.00 -1.72 0.00 0.00 55.73 54.33 2bv3 s ARG 348 Cb -0.04 0.14 -0.09 0.00 -0.45 0.00 0.00 34.95 34.51 2bv3 s ARG 348 CO 0.55 -0.04 1.19 0.15 -0.68 0.00 0.00 175.30 176.47 2bv3 s LYS 349 N 0.01 4.36 0.05 3.54 1.02 -1.26 -0.60 119.74 126.86 2bv3 s LYS 349 Ca -0.01 1.96 0.05 0.00 0.02 0.00 0.00 55.97 57.98 2bv3 s LYS 349 Cb -0.02 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2bv3 s LYS 349 CO 0.01 -0.09 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.00 2bv3 s GLU 350 N -1.84 0.82 -0.36 1.68 0.41 -0.24 -4.89 118.70 114.28 2bv3 s GLU 350 Ca 0.50 -0.80 -0.07 0.00 -0.41 0.00 0.00 54.97 54.18 2bv3 s GLU 350 Cb -0.34 -0.80 0.05 0.00 -1.78 0.00 0.00 34.13 31.26 2bv3 s GLU 350 CO 0.44 0.19 0.16 0.50 -0.49 0.00 0.00 175.26 176.06 2bv3 s ARG 351 N -1.36 2.60 -0.69 1.61 6.06 -1.26 -1.04 118.95 124.86 2bv3 s ARG 351 Ca -0.01 -1.27 -0.26 0.00 -2.50 0.00 0.00 55.73 51.69 2bv3 s ARG 351 Cb -0.09 -3.57 0.04 0.00 0.06 0.00 0.00 34.95 31.39 2bv3 s ARG 351 CO 0.01 -0.76 1.20 0.14 -2.50 0.00 0.00 175.30 173.40 2bv3 s VAL 352 N 1.41 3.89 0.08 7.11 -7.23 -0.60 -4.05 120.40 121.01 2bv3 s VAL 352 Ca 0.00 0.36 -0.14 0.00 -1.81 0.00 0.00 61.98 60.39 2bv3 s VAL 352 Cb -0.20 -4.84 -0.22 0.00 0.56 0.00 0.00 36.38 31.68 2bv3 s VAL 352 CO 0.03 -1.68 1.21 0.00 -0.31 0.00 0.00 175.10 174.35 2bv3 h ALA 353 N 9.85 0.16 -2.44 1.32 0.00 -1.25 -0.10 119.26 126.79 2bv3 h ALA 353 Ca -0.28 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2bv3 h ALA 353 Cb 1.06 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 2bv3 h ALA 353 CO 1.24 0.69 -0.09 1.03 0.00 0.00 0.00 179.25 182.12 2bv3 s ARG 354 N -3.41 0.89 -0.04 0.00 0.52 -1.02 -4.21 118.95 111.69 2bv3 s ARG 354 Ca -0.10 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.94 2bv3 s ARG 354 Cb 0.07 0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.92 2bv3 s ARG 354 CO 0.92 -0.29 -0.17 -0.51 0.02 0.00 0.00 175.30 175.27 2bv3 s LEU 355 N -1.71 2.59 0.10 2.53 1.43 -1.26 0.11 118.68 122.47 2bv3 s LEU 355 Ca -0.08 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2bv3 s LEU 355 Cb -0.02 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2bv3 s LEU 355 CO 0.01 0.33 -0.13 -0.76 0.23 0.00 0.00 176.35 176.04 2bv3 s LEU 356 N -0.78 2.36 0.06 1.79 1.43 0.62 -1.54 118.68 122.61 2bv3 s LEU 356 Ca 0.12 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2bv3 s LEU 356 Cb -0.10 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 2bv3 s LEU 356 CO 0.01 -0.16 -0.17 -0.13 0.23 0.00 0.00 176.35 176.13 2bv3 s ARG 357 N -2.38 2.06 -0.28 1.70 0.52 -0.36 -0.57 118.95 119.64 2bv3 s ARG 357 Ca 0.04 -1.00 -0.10 0.00 -0.52 0.00 0.00 55.73 54.14 2bv3 s ARG 357 Cb -0.06 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2bv3 s ARG 357 CO 0.02 0.53 0.16 -1.64 0.02 0.00 0.00 175.30 174.39 2bv3 s MET 358 N -1.62 3.81 0.57 3.54 -1.94 -1.26 -1.15 119.30 121.25 2bv3 s MET 358 Ca 0.16 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 2bv3 s MET 358 Cb -0.11 -3.58 0.11 0.00 2.01 0.00 0.00 34.83 33.26 2bv3 s MET 358 CO 0.07 -0.21 0.78 0.72 -0.01 0.00 0.00 175.02 176.37 2bv3 n HIS 359 N 5.03 -2.76 0.13 -0.03 8.25 -0.04 -0.99 115.22 124.81 2bv3 n HIS 359 Ca -0.14 -1.62 0.03 0.00 -0.26 0.00 0.00 57.72 55.73 2bv3 n HIS 359 Cb 0.52 -0.56 0.41 0.00 1.12 0.00 0.00 29.99 31.48 2bv3 n HIS 359 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bv3 h ALA 360 N -0.28 1.55 0.00 -1.41 0.00 -1.95 -3.35 119.26 113.81 2bv3 h ALA 360 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bv3 h ALA 360 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bv3 h ALA 360 CO 0.31 0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.98 2bv3 n ASN 361 N -4.29 0.21 -3.82 0.00 3.02 -1.26 -5.10 115.26 104.01 2bv3 n ASN 361 Ca -0.01 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 2bv3 n ASN 361 Cb 0.25 0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 2bv3 n ASN 361 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2bv3 s HIS 362 N -0.40 0.01 -0.05 3.10 -3.43 -1.26 -5.17 115.29 108.10 2bv3 s HIS 362 Ca 0.00 -0.37 0.04 0.00 -0.80 0.00 0.00 55.06 53.93 2bv3 s HIS 362 Cb 0.00 0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 31.48 2bv3 s HIS 362 CO 0.00 -0.95 -0.14 1.03 -2.00 0.00 0.00 174.74 172.68 2bv3 s ARG 363 N -3.91 2.49 -0.09 -0.38 0.52 -1.26 -0.86 118.95 115.46 2bv3 s ARG 363 Ca 0.13 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2bv3 s ARG 363 Cb -0.01 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 2bv3 s ARG 363 CO 0.01 0.62 -0.21 -2.00 0.02 0.00 0.00 175.30 173.74 2bv3 s GLU 364 N -0.78 2.91 -0.20 3.54 2.12 -0.30 -4.96 118.70 121.03 2bv3 s GLU 364 Ca 0.12 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.37 2bv3 s GLU 364 Cb -0.11 -2.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.94 2bv3 s GLU 364 CO 0.01 0.29 0.80 -2.00 -0.54 0.00 0.00 175.26 173.82 2bv3 s GLU 365 N 0.08 4.25 0.18 4.30 2.12 -1.26 -1.22 118.70 127.15 2bv3 s GLU 365 Ca -0.10 0.93 0.08 0.00 0.36 0.00 0.00 54.97 56.24 2bv3 s GLU 365 Cb -0.16 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2bv3 s GLU 365 CO 0.06 -0.37 -0.05 0.14 -0.54 0.00 0.00 175.26 174.50 2bv3 s VAL 366 N 2.32 3.44 -0.18 3.70 -7.23 -0.59 -5.00 120.40 116.86 2bv3 s VAL 366 Ca 0.36 -1.56 0.16 0.00 -1.81 0.00 0.00 61.98 59.13 2bv3 s VAL 366 Cb -0.16 -2.72 0.06 0.00 0.56 0.00 0.00 36.38 34.12 2bv3 s VAL 366 CO 0.10 -0.12 1.37 -0.08 -0.31 0.00 0.00 175.10 176.06 2bv3 h GLU 367 N 2.79 0.00 -3.10 4.82 4.57 -1.96 -3.36 114.58 118.33 2bv3 h GLU 367 Ca -0.47 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.74 2bv3 h GLU 367 Cb 1.21 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 2bv3 h GLU 367 CO 0.56 0.41 0.17 -1.83 -1.18 0.00 0.00 179.01 177.14 2bv3 s GLU 368 N -2.99 1.63 -0.12 1.92 -1.05 -1.26 -1.76 118.70 115.08 2bv3 s GLU 368 Ca 0.03 -0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 53.90 2bv3 s GLU 368 Cb 0.08 0.58 0.06 0.00 -0.44 0.00 0.00 34.13 34.40 2bv3 s GLU 368 CO 0.75 -0.73 0.16 -1.17 0.95 0.00 0.00 175.26 175.22 2bv3 s LEU 369 N -2.90 -0.04 0.49 1.83 2.96 0.30 -4.99 118.68 116.34 2bv3 s LEU 369 Ca 0.10 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 2bv3 s LEU 369 Cb -0.04 0.24 0.03 0.00 0.50 0.00 0.00 46.19 46.93 2bv3 s LEU 369 CO 0.03 -0.27 0.59 -0.54 -1.32 0.00 0.00 176.35 174.84 2bv3 s LYS 370 N 2.28 2.52 0.17 1.98 1.02 -1.26 -0.09 119.74 126.36 2bv3 s LYS 370 Ca 0.04 -1.53 -0.33 0.00 0.02 0.00 0.00 55.97 54.16 2bv3 s LYS 370 Cb -0.13 -2.57 -0.14 0.00 -0.52 0.00 0.00 37.83 34.47 2bv3 s LYS 370 CO -0.07 -0.50 1.53 0.00 -0.92 0.00 0.00 175.35 175.38 2bv3 n ALA 371 N -1.92 1.21 -0.38 5.17 0.00 -0.61 -2.10 120.51 121.88 2bv3 n ALA 371 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2bv3 n ALA 371 Cb 0.61 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2bv3 n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bv3 n GLY 372 N 3.10 0.70 3.72 0.00 0.00 0.62 -4.88 105.19 108.45 2bv3 n GLY 372 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2bv3 n GLY 372 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bv3 s ASP 373 N -2.89 4.55 0.04 1.61 -1.08 -0.89 -4.91 116.67 113.10 2bv3 s ASP 373 Ca 0.00 -0.86 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2bv3 s ASP 373 Cb 0.00 -0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 40.79 2bv3 s ASP 373 CO 0.00 -0.33 -0.08 -0.76 0.52 0.00 0.00 175.17 174.52 2bv3 s LEU 374 N -3.83 2.25 0.00 -1.34 1.02 -1.26 -1.40 118.68 114.11 2bv3 s LEU 374 Ca 0.38 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.00 2bv3 s LEU 374 Cb -0.01 -0.17 0.00 0.00 0.02 0.00 0.00 46.19 46.03 2bv3 s LEU 374 CO 0.22 -0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.01 2bv3 n GLY 375 N 1.52 1.41 3.25 -3.19 0.00 -0.90 -4.97 105.19 102.30 2bv3 n GLY 375 Ca -0.22 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2bv3 n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bv3 s ALA 376 N -1.00 1.74 -0.06 4.61 0.00 0.27 -0.42 121.76 126.89 2bv3 s ALA 376 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2bv3 s ALA 376 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2bv3 s ALA 376 CO 0.00 0.38 -0.12 0.14 0.00 0.00 0.00 175.76 176.16 2bv3 s VAL 377 N -0.83 3.25 -0.15 0.00 -7.23 0.12 -0.28 120.40 115.27 2bv3 s VAL 377 Ca 0.07 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 2bv3 s VAL 377 Cb -0.09 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2bv3 s VAL 377 CO 0.02 0.58 0.05 -0.69 -0.31 0.00 0.00 175.10 174.75 2bv3 s VAL 378 N -0.62 4.69 0.00 1.32 1.01 0.12 -2.11 120.40 124.81 2bv3 s VAL 378 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2bv3 s VAL 378 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2bv3 s VAL 378 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2bv3 n GLY 379 N 3.00 0.72 3.76 4.51 0.00 -1.26 -0.78 105.19 115.14 2bv3 n GLY 379 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2bv3 n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bv3 s LEU 380 N 0.00 4.01 -0.03 0.99 1.02 -1.26 -4.54 118.68 118.87 2bv3 s LEU 380 Ca 0.00 2.52 -0.00 0.00 0.02 0.00 0.00 54.13 56.66 2bv3 s LEU 380 Cb 0.00 -4.18 -0.02 0.00 0.02 0.00 0.00 46.19 42.01 2bv3 s LEU 380 CO 0.00 -1.10 -0.03 0.29 0.02 0.00 0.00 176.35 175.53 2bv3 n LYS 381 N -0.52 0.07 -0.07 1.70 4.76 -1.26 -4.85 118.16 117.99 2bv3 n LYS 381 Ca 0.07 0.02 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2bv3 n LYS 381 Cb 0.46 -0.93 0.07 0.00 -1.84 0.00 0.00 35.03 32.79 2bv3 n LYS 381 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2bv3 n GLU 382 N -2.74 2.51 -3.26 1.97 -0.58 -1.26 -4.99 120.64 112.28 2bv3 n GLU 382 Ca -0.05 -1.94 -0.41 0.00 -0.42 0.00 0.00 57.16 54.33 2bv3 n GLU 382 Cb 0.55 -1.22 -0.08 0.00 -0.57 0.00 0.00 31.44 30.12 2bv3 n GLU 382 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2bv3 s THR 383 N -1.63 5.04 0.34 2.62 2.01 -1.26 -4.98 115.64 117.78 2bv3 s THR 383 Ca 0.14 0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2bv3 s THR 383 Cb 0.11 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2bv3 s THR 383 CO 0.03 -0.20 0.40 0.27 -0.69 0.00 0.00 174.62 174.43 2bv3 s ILE 384 N 2.35 3.74 0.23 1.82 -4.36 -1.26 -5.04 121.20 118.68 2bv3 s ILE 384 Ca 0.18 -1.16 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 2bv3 s ILE 384 Cb -0.16 -3.28 -0.09 0.00 1.25 0.00 0.00 42.46 40.18 2bv3 s ILE 384 CO 0.13 -0.15 1.30 0.28 0.24 0.00 0.00 174.94 176.75 2bv3 s THR 385 N -2.25 3.09 0.00 8.37 -1.32 -1.26 -1.94 115.64 120.34 2bv3 s THR 385 Ca 0.44 0.95 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 2bv3 s THR 385 Cb -0.08 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2bv3 s THR 385 CO 0.29 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 2bv3 n GLY 386 N 1.97 1.11 3.78 6.08 0.00 0.21 -4.97 105.19 113.38 2bv3 n GLY 386 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2bv3 n GLY 386 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bv3 s ASP 387 N -1.97 7.18 -0.14 1.61 1.11 -0.82 -4.55 116.67 119.09 2bv3 s ASP 387 Ca 0.00 1.97 -0.14 0.00 0.18 0.00 0.00 52.55 54.56 2bv3 s ASP 387 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2bv3 s ASP 387 CO 0.00 -0.19 0.30 -0.89 1.18 0.00 0.00 175.17 175.58 2bv3 s THR 388 N -1.53 5.28 -0.11 -1.27 2.01 -1.26 -1.64 115.64 117.12 2bv3 s THR 388 Ca 0.51 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 2bv3 s THR 388 Cb -0.22 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2bv3 s THR 388 CO 0.28 0.42 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.81 2bv3 s LEU 389 N 0.22 3.16 0.24 4.42 1.02 0.19 -1.24 118.68 126.69 2bv3 s LEU 389 Ca 0.18 -0.09 0.08 0.00 0.02 0.00 0.00 54.13 54.31 2bv3 s LEU 389 Cb -0.13 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.31 2bv3 s LEU 389 CO 0.05 0.27 -0.11 0.68 0.02 0.00 0.00 176.35 177.26 2bv3 s VAL 390 N -0.26 1.77 0.77 -1.59 -7.23 0.78 -0.88 120.40 113.75 2bv3 s VAL 390 Ca 0.04 -2.19 -0.14 0.00 -1.81 0.00 0.00 61.98 57.87 2bv3 s VAL 390 Cb -0.13 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.62 2bv3 s VAL 390 CO 0.02 -0.45 1.23 -0.83 -0.31 0.00 0.00 175.10 174.77 2bv3 s GLY 391 N -3.39 2.34 0.39 2.32 0.00 -1.20 -0.69 107.32 107.09 2bv3 s GLY 391 Ca 0.26 0.94 0.09 0.00 0.00 0.00 0.00 44.72 46.01 2bv3 s GLY 391 CO 0.10 1.37 1.97 -2.09 0.00 0.00 0.00 173.10 174.45 2bv3 h GLU 392 N -0.53 0.60 -0.23 2.90 4.57 -1.90 -0.52 114.58 119.46 2bv3 h GLU 392 Ca -0.47 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2bv3 h GLU 392 Cb 1.31 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2bv3 h GLU 392 CO 0.48 0.40 -0.00 -0.25 -1.18 0.00 0.00 179.01 178.46 2bv3 n ASP 393 N -4.48 3.61 -4.85 1.04 9.92 -1.26 -4.92 116.55 115.61 2bv3 n ASP 393 Ca 0.10 -3.08 -0.31 0.00 -0.53 0.00 0.00 54.79 50.97 2bv3 n ASP 393 Cb 0.26 -0.54 0.04 0.00 -0.64 0.00 0.00 41.12 40.24 2bv3 n ASP 393 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bv3 s ALA 394 N -2.87 2.85 0.28 2.24 0.00 -0.21 -5.00 121.76 119.06 2bv3 s ALA 394 Ca 0.41 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2bv3 s ALA 394 Cb 0.34 -3.10 -0.11 0.00 0.00 0.00 0.00 23.12 20.25 2bv3 s ALA 394 CO 0.08 -1.04 1.58 -2.14 0.00 0.00 0.00 175.76 174.23 2bv3 s PRO 395 N -5.18 4.14 -1.51 0.00 0.02 -1.26 -4.86 135.00 126.35 2bv3 s PRO 395 Ca 0.57 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 64.03 2bv3 s PRO 395 Cb -0.12 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 2bv3 s PRO 395 CO 0.54 -0.61 2.59 -2.13 -0.33 0.00 0.00 177.00 177.06 2bv3 n ARG 396 N 2.25 3.56 -2.55 5.54 3.00 -1.26 -4.92 116.66 122.28 2bv3 n ARG 396 Ca 0.08 -2.59 -0.29 0.00 -0.00 0.00 0.00 57.85 55.05 2bv3 n ARG 396 Cb 0.38 -2.93 -0.01 0.00 0.00 0.00 0.00 32.46 29.90 2bv3 n ARG 396 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2bv3 s VAL 397 N 1.90 4.83 -0.05 5.15 -7.23 -1.26 -3.99 120.40 119.75 2bv3 s VAL 397 Ca 0.59 0.45 0.03 0.00 -1.81 0.00 0.00 61.98 61.24 2bv3 s VAL 397 Cb 0.16 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 33.28 2bv3 s VAL 397 CO -0.07 -0.81 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.14 2bv3 s ILE 398 N -2.72 1.23 -0.10 -0.62 1.01 -0.11 -4.81 121.20 115.08 2bv3 s ILE 398 Ca 0.50 -0.57 0.17 0.00 0.00 0.00 0.00 60.65 60.75 2bv3 s ILE 398 Cb -0.10 -1.10 -0.24 0.00 0.01 0.00 0.00 42.46 41.03 2bv3 s ILE 398 CO 0.43 0.37 0.21 0.18 0.00 0.00 0.00 174.94 176.13 2bv3 n LEU 399 N 3.51 0.00 -4.03 2.97 4.32 -1.26 -0.47 117.00 122.04 2bv3 n LEU 399 Ca -0.21 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.53 2bv3 n LEU 399 Cb 0.52 0.23 -0.17 0.00 -1.62 0.00 0.00 43.42 42.39 2bv3 n LEU 399 CO 0.25 0.23 -0.48 -0.70 -1.22 0.00 0.00 177.39 175.48 2bv3 s GLU 400 N -2.80 1.84 0.05 3.23 2.12 -1.26 -4.88 118.70 117.00 2bv3 s GLU 400 Ca -0.08 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 2bv3 s GLU 400 Cb 0.08 -1.54 -0.09 0.00 0.26 0.00 0.00 34.13 32.84 2bv3 s GLU 400 CO 0.72 -0.00 1.94 -1.54 -0.54 0.00 0.00 175.26 175.85 2bv3 s SER 401 N 0.78 6.45 -0.54 -1.70 1.04 -1.26 -4.92 113.70 113.55 2bv3 s SER 401 Ca -0.12 2.67 -0.28 0.00 0.48 0.00 0.00 55.95 58.70 2bv3 s SER 401 Cb -0.16 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2bv3 s SER 401 CO 0.02 -1.05 1.35 0.27 0.98 0.00 0.00 173.24 174.82 2bv3 s ILE 402 N 4.25 3.88 0.00 -1.02 -0.00 -1.26 -4.81 121.20 122.23 2bv3 s ILE 402 Ca 0.87 0.79 0.00 0.00 -0.00 0.00 0.00 60.65 62.31 2bv3 s ILE 402 Cb -0.43 -4.47 0.00 0.00 -0.00 0.00 0.00 42.46 37.56 2bv3 s ILE 402 CO 0.41 -1.13 0.00 -0.62 -0.00 0.00 0.00 174.94 173.60 2bv3 n GLU 403 N 8.48 1.30 -2.41 0.37 4.71 -1.26 -5.11 120.64 126.72 2bv3 n GLU 403 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2bv3 n GLU 403 Cb 0.49 -0.90 0.00 0.00 -1.01 0.00 0.00 31.44 30.02 2bv3 n GLU 403 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2bv3 n VAL 404 N -1.23 -1.36 -0.27 2.62 3.14 -1.26 -4.98 118.33 114.99 2bv3 n VAL 404 Ca 0.00 0.32 -0.20 0.00 -2.96 0.00 0.00 64.34 61.50 2bv3 n VAL 404 Cb 0.02 -2.12 0.19 0.00 -1.06 0.00 0.00 33.84 30.88 2bv3 n VAL 404 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2bv3 n PRO 405 N 1.17 -3.70 -4.19 1.45 -0.02 -1.26 -5.07 135.00 123.38 2bv3 n PRO 405 Ca 0.00 -1.01 -0.22 0.00 -2.02 0.00 0.00 63.50 60.25 2bv3 n PRO 405 Cb 0.32 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 2bv3 n PRO 405 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2bv3 s GLU 406 N -4.43 2.59 -1.01 -0.52 1.03 -1.26 -5.07 118.70 110.03 2bv3 s GLU 406 Ca 0.45 -1.26 -0.15 0.00 0.03 0.00 0.00 54.97 54.05 2bv3 s GLU 406 Cb -0.07 -2.35 0.19 0.00 -0.80 0.00 0.00 34.13 31.10 2bv3 s GLU 406 CO 0.37 0.36 1.11 -1.25 -1.33 0.00 0.00 175.26 174.53 2bv3 s PRO 407 N -3.77 3.83 -0.15 -4.83 0.04 -1.26 -4.31 135.00 124.56 2bv3 s PRO 407 Ca 0.33 -2.40 0.18 0.00 0.04 0.00 0.00 61.00 59.15 2bv3 s PRO 407 Cb -0.07 -4.77 -0.26 0.00 0.04 0.00 0.00 34.50 29.44 2bv3 s PRO 407 CO 0.22 -1.56 0.21 0.28 0.04 0.00 0.00 177.00 176.20 2bv3 n VAL 408 N 4.39 1.11 -4.15 -0.36 0.31 0.12 -4.80 118.33 114.96 2bv3 n VAL 408 Ca 0.25 -0.78 -0.31 0.00 -0.01 0.00 0.00 64.34 63.49 2bv3 n VAL 408 Cb 0.45 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.90 2bv3 n VAL 408 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2bv3 s ILE 409 N -2.72 4.16 0.02 2.52 1.01 -0.93 -1.39 121.20 123.87 2bv3 s ILE 409 Ca -0.09 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.78 2bv3 s ILE 409 Cb 0.08 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2bv3 s ILE 409 CO 0.84 0.19 -0.19 -1.81 0.00 0.00 0.00 174.94 173.97 2bv3 s ASP 410 N -2.14 2.23 -0.12 3.58 1.01 -0.39 -1.58 116.67 119.26 2bv3 s ASP 410 Ca 0.25 -0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.05 2bv3 s ASP 410 Cb -0.12 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.65 2bv3 s ASP 410 CO 0.17 0.17 0.02 0.68 0.21 0.00 0.00 175.17 176.41 2bv3 s VAL 411 N -0.67 0.42 -0.85 -1.27 -7.23 -1.20 -1.73 120.40 107.89 2bv3 s VAL 411 Ca 0.06 -0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 59.82 2bv3 s VAL 411 Cb -0.08 -0.74 -0.00 0.00 0.56 0.00 0.00 36.38 36.12 2bv3 s VAL 411 CO 0.01 0.05 1.70 0.00 -0.31 0.00 0.00 175.10 176.55 2bv3 s ALA 412 N 1.93 2.20 -1.13 1.32 0.00 -1.26 -1.23 121.76 123.60 2bv3 s ALA 412 Ca 0.03 -1.50 0.13 0.00 0.00 0.00 0.00 51.96 50.62 2bv3 s ALA 412 Cb -0.14 -4.45 0.54 0.00 0.00 0.00 0.00 23.12 19.07 2bv3 s ALA 412 CO -0.07 -4.08 1.40 -0.89 0.00 0.00 0.00 175.76 172.12 2bv3 n ILE 413 N 7.26 1.44 -3.05 0.00 -0.00 -0.95 -2.33 119.36 121.73 2bv3 n ILE 413 Ca 0.29 -0.88 -0.41 0.00 -0.00 0.00 0.00 62.75 61.74 2bv3 n ILE 413 Cb 0.49 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.64 40.04 2bv3 n ILE 413 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2bv3 s GLU 414 N -1.84 3.94 0.00 0.38 -1.05 -1.25 -3.81 118.70 115.07 2bv3 s GLU 414 Ca 0.38 0.43 0.07 0.00 -0.15 0.00 0.00 54.97 55.70 2bv3 s GLU 414 Cb 0.25 -3.72 0.41 0.00 -0.44 0.00 0.00 34.13 30.63 2bv3 s GLU 414 CO 0.17 -0.60 0.81 -2.30 0.95 0.00 0.00 175.26 174.29 2bv3 n PRO 415 N 5.99 0.34 -0.06 -4.83 -0.02 -1.26 -4.37 135.00 130.79 2bv3 n PRO 415 Ca 0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 2bv3 n PRO 415 Cb 0.49 -1.31 -0.15 0.00 -0.02 0.00 0.00 33.50 32.51 2bv3 n PRO 415 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bv3 n SER 435 N -0.81 0.44 -4.07 2.55 3.41 -1.26 -4.89 113.62 108.98 2bv3 n SER 435 Ca 0.05 0.21 -0.33 0.00 -0.26 0.00 0.00 58.87 58.54 2bv3 n SER 435 Cb 0.02 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 2bv3 n SER 435 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2bv3 n PRO 436 N -2.90 0.81 -2.65 4.33 -0.04 -1.26 -4.18 135.00 129.11 2bv3 n PRO 436 Ca -0.25 -1.76 -0.16 0.00 -0.04 0.00 0.00 63.50 61.29 2bv3 n PRO 436 Cb 1.10 -3.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2bv3 n PRO 436 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bv3 n THR 437 N 7.49 -0.80 -2.85 0.52 -2.24 -1.26 -4.91 114.28 110.23 2bv3 n THR 437 Ca 0.46 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.91 2bv3 n THR 437 Cb 0.44 -1.99 -0.02 0.00 -2.10 0.00 0.00 70.33 66.67 2bv3 n THR 437 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2bv3 n PHE 438 N -3.62 3.51 -2.49 4.78 1.16 -1.26 -4.34 117.46 115.20 2bv3 n PHE 438 Ca -0.13 -3.42 -0.41 0.00 -1.87 0.00 0.00 57.45 51.62 2bv3 n PHE 438 Cb 0.60 -0.78 -0.04 0.00 -1.61 0.00 0.00 39.48 37.66 2bv3 n PHE 438 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2bv3 s SER 439 N -2.58 7.21 -0.14 5.98 0.01 -1.08 -4.63 113.70 118.46 2bv3 s SER 439 Ca 0.44 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.76 2bv3 s SER 439 Cb 0.23 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2bv3 s SER 439 CO -0.12 -0.30 -0.15 0.68 0.41 0.00 0.00 173.24 173.75 2bv3 s VAL 440 N 0.20 2.73 0.24 3.43 -7.23 -1.26 -1.21 120.40 117.30 2bv3 s VAL 440 Ca 0.52 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 2bv3 s VAL 440 Cb -0.29 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2bv3 s VAL 440 CO 0.33 0.52 0.12 -0.94 -0.31 0.00 0.00 175.10 174.82 2bv3 s SER 441 N 0.66 0.81 -0.16 4.85 1.04 -1.00 -5.00 113.70 114.91 2bv3 s SER 441 Ca -0.08 -1.40 -0.06 0.00 0.48 0.00 0.00 55.95 54.89 2bv3 s SER 441 Cb -0.16 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.31 2bv3 s SER 441 CO 0.02 -0.79 0.32 0.28 0.98 0.00 0.00 173.24 174.06 2bv3 s THR 442 N -3.90 -0.50 0.00 2.02 -1.32 -1.26 -2.25 115.64 108.44 2bv3 s THR 442 Ca 0.38 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 2bv3 s THR 442 Cb 0.07 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 2bv3 s THR 442 CO 0.13 0.10 0.00 1.41 -2.21 0.00 0.00 174.62 174.05 2bv3 n HIS 443 N 5.34 0.00 -3.56 9.09 -0.00 -1.26 -5.12 115.22 119.71 2bv3 n HIS 443 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.35 2bv3 n HIS 443 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.45 2bv3 n HIS 443 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2bv3 s PRO 444 N 0.70 3.61 0.00 -0.41 0.02 -1.26 -4.44 135.00 133.22 2bv3 s PRO 444 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2bv3 s PRO 444 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.75 2bv3 s PRO 444 CO 0.00 0.36 0.00 -0.85 -0.33 0.00 0.00 177.00 176.18 2bv3 n GLU 445 N -0.43 0.00 -0.89 5.54 0.28 -1.26 -4.89 120.64 119.00 2bv3 n GLU 445 Ca -0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.62 2bv3 n GLU 445 Cb 0.53 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 2bv3 n GLU 445 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2bv3 n THR 446 N -1.01 0.00 -2.44 3.84 5.66 -1.26 -1.98 114.28 117.09 2bv3 n THR 446 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2bv3 n THR 446 Cb 0.40 -0.03 0.01 0.00 -1.55 0.00 0.00 70.33 69.16 2bv3 n THR 446 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bv3 n GLY 447 N 1.01 0.01 2.77 1.09 0.00 -1.26 -5.05 105.19 103.76 2bv3 n GLY 447 Ca 0.12 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2bv3 n GLY 447 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bv3 s SER 448 N -2.70 1.59 0.03 1.61 0.15 -0.84 -5.02 113.70 108.51 2bv3 s SER 448 Ca 0.08 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 2bv3 s SER 448 Cb -0.04 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.80 2bv3 s SER 448 CO 0.10 -0.20 0.25 0.42 1.20 0.00 0.00 173.24 175.02 2bv3 s THR 449 N 1.98 5.33 0.13 6.45 -4.23 -1.26 -4.59 115.64 119.45 2bv3 s THR 449 Ca 0.05 -0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 2bv3 s THR 449 Cb -0.12 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2bv3 s THR 449 CO -0.05 0.27 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.43 2bv3 s ILE 450 N -1.39 2.04 -0.51 2.99 1.01 -0.95 -2.24 121.20 122.14 2bv3 s ILE 450 Ca 0.31 -1.74 0.04 0.00 0.00 0.00 0.00 60.65 59.26 2bv3 s ILE 450 Cb -0.13 -1.85 0.13 0.00 0.01 0.00 0.00 42.46 40.62 2bv3 s ILE 450 CO 0.20 -0.03 0.25 -0.63 0.00 0.00 0.00 174.94 174.73 2bv3 s ILE 451 N -1.28 2.54 0.31 2.92 1.09 -0.36 -2.38 121.20 124.04 2bv3 s ILE 451 Ca 0.12 -3.27 -0.24 0.00 -1.10 0.00 0.00 60.65 56.17 2bv3 s ILE 451 Cb -0.09 -2.77 -0.10 0.00 -1.06 0.00 0.00 42.46 38.44 2bv3 s ILE 451 CO 0.06 -0.79 0.88 -0.94 -0.10 0.00 0.00 174.94 174.05 2bv3 s SER 452 N -0.23 7.22 0.00 3.58 1.04 -0.35 -3.20 113.70 121.75 2bv3 s SER 452 Ca 0.17 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2bv3 s SER 452 Cb -0.26 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2bv3 s SER 452 CO -0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2bv3 n GLY 453 N 0.47 3.40 3.54 7.32 0.00 -0.62 -2.62 105.19 116.69 2bv3 n GLY 453 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2bv3 n GLY 453 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bv3 s MET 454 N 3.76 0.97 0.01 1.61 1.75 -1.26 0.10 119.30 126.24 2bv3 s MET 454 Ca 0.00 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.92 2bv3 s MET 454 Cb 0.00 0.46 0.00 0.00 2.84 0.00 0.00 34.83 38.13 2bv3 s MET 454 CO 0.00 -0.25 0.00 0.41 -0.65 0.00 0.00 175.02 174.53 2bv3 n GLY 455 N 1.50 -3.37 0.25 2.11 0.00 -1.26 -2.35 105.19 102.07 2bv3 n GLY 455 Ca -0.17 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 2bv3 n GLY 455 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bv3 h GLU 456 N 0.34 -0.12 0.00 1.61 4.81 -1.98 0.41 114.58 119.64 2bv3 h GLU 456 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2bv3 h GLU 456 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2bv3 h GLU 456 CO 0.00 -0.08 -0.30 -0.07 -0.73 0.00 0.00 179.01 177.83 2bv3 h LEU 457 N -0.13 0.00 -0.10 1.64 -0.00 -1.91 -3.22 115.31 111.60 2bv3 h LEU 457 Ca 0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.70 2bv3 h LEU 457 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2bv3 h LEU 457 CO -0.42 0.30 -0.96 -1.28 -0.00 0.00 0.00 178.44 176.08 2bv3 h SER 458 N 0.00 0.77 1.16 -0.43 0.87 -1.27 -2.85 113.55 111.81 2bv3 h SER 458 Ca -0.00 -0.59 -0.09 0.00 -1.23 0.00 0.00 61.79 59.88 2bv3 h SER 458 Cb 1.09 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2bv3 h SER 458 CO 0.04 1.39 -0.41 -0.07 -0.53 0.00 0.00 176.83 177.25 2bv3 h LEU 459 N 0.35 0.00 -7.90 2.23 4.07 0.12 -3.39 115.31 110.80 2bv3 h LEU 459 Ca -0.10 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.21 2bv3 h LEU 459 Cb 1.60 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.26 2bv3 h LEU 459 CO 0.18 0.41 2.07 -0.70 -1.08 0.00 0.00 178.44 179.31 2bv3 s GLU 460 N -3.31 3.86 0.00 1.13 2.12 -1.07 -4.28 118.70 117.14 2bv3 s GLU 460 Ca 0.02 -1.85 0.00 0.00 0.36 0.00 0.00 54.97 53.50 2bv3 s GLU 460 Cb 0.09 -5.50 0.00 0.00 0.26 0.00 0.00 34.13 28.98 2bv3 s GLU 460 CO 0.70 -2.35 0.00 -0.89 -0.54 0.00 0.00 175.26 172.18 2bv3 n ILE 461 N 6.53 0.00 0.18 -3.70 2.08 -1.26 -4.67 119.36 118.53 2bv3 n ILE 461 Ca 0.47 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.84 2bv3 n ILE 461 Cb 0.47 -0.61 0.20 0.00 -0.75 0.00 0.00 39.64 38.94 2bv3 n ILE 461 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 2bv3 h ILE 462 N 0.00 0.65 -5.13 1.39 -0.00 -1.95 -3.52 117.51 108.95 2bv3 h ILE 462 Ca 0.00 -1.68 -0.40 0.00 -0.00 0.00 0.00 64.86 62.79 2bv3 h ILE 462 Cb 0.81 2.14 -0.04 0.00 -0.00 0.00 0.00 36.82 39.73 2bv3 h ILE 462 CO 0.00 0.33 -0.21 0.52 -0.00 0.00 0.00 178.15 178.79 2bv3 n VAL 463 N -3.27 0.00 -1.56 0.16 0.31 -1.26 -5.25 118.33 107.46 2bv3 n VAL 463 Ca 0.02 -1.49 -0.31 0.00 -0.01 0.00 0.00 64.34 62.54 2bv3 n VAL 463 Cb 0.60 -0.08 0.06 0.00 -0.91 0.00 0.00 33.84 33.51 2bv3 n VAL 463 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2bv3 n VAL 476 N -1.25 3.26 -2.72 2.52 0.24 -1.23 -4.95 118.33 114.20 2bv3 n VAL 476 Ca -0.04 -3.37 -0.14 0.00 -2.04 0.00 0.00 64.34 58.76 2bv3 n VAL 476 Cb 0.42 -1.15 0.06 0.00 -1.47 0.00 0.00 33.84 31.70 2bv3 n VAL 476 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bv3 n GLY 477 N -0.85 1.25 3.53 7.63 0.00 -0.99 -5.03 105.19 110.73 2bv3 n GLY 477 Ca 0.56 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2bv3 n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bv3 s LYS 478 N -3.91 1.95 -0.08 1.61 -0.14 -1.26 -4.89 119.74 113.02 2bv3 s LYS 478 Ca 0.40 -1.14 -0.30 0.00 -1.36 0.00 0.00 55.97 53.58 2bv3 s LYS 478 Cb -0.03 -2.19 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 2bv3 s LYS 478 CO 0.26 0.48 1.48 -1.25 -0.76 0.00 0.00 175.35 175.56 2bv3 s PRO 479 N -2.27 4.21 0.00 -1.68 0.04 -1.26 -4.61 135.00 129.43 2bv3 s PRO 479 Ca 0.20 1.97 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2bv3 s PRO 479 Cb -0.10 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 2bv3 s PRO 479 CO 0.12 -0.76 -0.22 -0.65 0.04 0.00 0.00 177.00 175.54 2bv3 s GLN 480 N 3.59 2.12 0.26 4.56 -0.21 -0.70 -4.98 119.66 124.30 2bv3 s GLN 480 Ca 0.65 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 2bv3 s GLN 480 Cb -0.29 -2.14 -0.09 0.00 1.00 0.00 0.00 33.01 31.49 2bv3 s GLN 480 CO 0.24 0.56 1.06 0.54 -2.12 0.00 0.00 175.29 175.57 2bv3 s VAL 481 N -0.76 3.63 -1.27 1.09 0.11 -1.26 -1.27 120.40 120.68 2bv3 s VAL 481 Ca 0.12 1.63 -0.15 0.00 -2.93 0.00 0.00 61.98 60.66 2bv3 s VAL 481 Cb -0.10 -4.04 0.13 0.00 -1.53 0.00 0.00 36.38 30.83 2bv3 s VAL 481 CO 0.01 0.38 1.66 0.00 -3.33 0.00 0.00 175.10 173.83 2bv3 n ALA 482 N 1.33 4.10 -1.65 1.54 0.00 -0.49 -4.89 120.51 120.45 2bv3 n ALA 482 Ca -0.01 -4.09 -0.34 0.00 0.00 0.00 0.00 53.44 48.99 2bv3 n ALA 482 Cb 0.45 -3.27 0.03 0.00 0.00 0.00 0.00 19.45 16.66 2bv3 n ALA 482 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2bv3 s TYR 483 N 2.45 2.58 0.38 0.00 2.02 -1.26 -4.67 117.35 118.85 2bv3 s TYR 483 Ca 0.47 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.75 2bv3 s TYR 483 Cb 0.02 -3.28 -0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2bv3 s TYR 483 CO 0.02 -1.75 0.05 1.03 -1.57 0.00 0.00 175.55 173.33 2bv3 s ARG 484 N -3.63 1.84 0.01 -0.62 1.81 -0.76 -4.43 118.95 113.16 2bv3 s ARG 484 Ca 0.71 -2.07 -0.01 0.00 -1.72 0.00 0.00 55.73 52.64 2bv3 s ARG 484 Cb -0.24 -1.08 -0.01 0.00 -0.45 0.00 0.00 34.95 33.17 2bv3 s ARG 484 CO 0.34 -0.23 0.01 -1.21 -0.68 0.00 0.00 175.30 173.53 2bv3 s GLU 485 N -3.82 0.23 0.35 3.54 2.02 -0.72 -1.60 118.70 118.70 2bv3 s GLU 485 Ca 0.30 -0.36 -0.13 0.00 0.02 0.00 0.00 54.97 54.81 2bv3 s GLU 485 Cb 0.07 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.42 2bv3 s GLU 485 CO 0.14 -0.04 0.67 -0.08 0.02 0.00 0.00 175.26 175.97 2bv3 s THR 486 N -0.93 0.00 0.25 3.63 -1.32 -1.11 -1.33 115.64 114.83 2bv3 s THR 486 Ca -0.10 -1.20 0.08 0.00 -1.21 0.00 0.00 61.69 59.25 2bv3 s THR 486 Cb -0.06 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2bv3 s THR 486 CO -0.00 0.00 0.12 0.27 -2.21 0.00 0.00 174.62 172.79 2bv3 s ILE 487 N -2.90 4.08 -0.88 5.08 -4.36 -1.26 -1.34 121.20 119.62 2bv3 s ILE 487 Ca 0.20 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 2bv3 s ILE 487 Cb -0.04 -3.18 0.04 0.00 1.25 0.00 0.00 42.46 40.53 2bv3 s ILE 487 CO 0.13 -0.33 0.67 0.35 0.24 0.00 0.00 174.94 176.00 2bv3 n THR 488 N -0.96 0.00 -3.75 8.37 -2.24 0.82 -4.61 114.28 111.90 2bv3 n THR 488 Ca -0.08 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 2bv3 n THR 488 Cb 0.58 1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 2bv3 n THR 488 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bv3 s LYS 489 N -0.87 0.56 0.52 -0.78 -2.85 -1.11 -4.95 119.74 110.25 2bv3 s LYS 489 Ca 0.08 0.14 -0.22 0.00 -1.00 0.00 0.00 55.97 54.97 2bv3 s LYS 489 Cb 0.06 0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 36.03 2bv3 s LYS 489 CO 0.14 -0.12 1.26 -1.25 0.10 0.00 0.00 175.35 175.48 2bv3 s PRO 490 N -0.61 3.38 0.33 1.78 0.04 -1.26 -4.65 135.00 134.00 2bv3 s PRO 490 Ca -0.07 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2bv3 s PRO 490 Cb -0.04 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2bv3 s PRO 490 CO 0.03 -0.93 0.11 0.14 0.04 0.00 0.00 177.00 176.39 2bv3 s VAL 491 N -1.44 0.73 -0.21 -0.36 -7.23 0.55 -4.99 120.40 107.46 2bv3 s VAL 491 Ca 0.69 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2bv3 s VAL 491 Cb -0.34 -2.58 0.10 0.00 0.56 0.00 0.00 36.38 34.11 2bv3 s VAL 491 CO 0.41 0.00 0.26 -0.62 -0.31 0.00 0.00 175.10 174.83 2bv3 s ASP 492 N -3.46 1.06 0.30 4.85 3.68 -1.26 -1.54 116.67 120.30 2bv3 s ASP 492 Ca 0.33 -0.08 0.03 0.00 2.13 0.00 0.00 52.55 54.97 2bv3 s ASP 492 Cb 0.06 0.56 -0.04 0.00 -1.45 0.00 0.00 42.92 42.06 2bv3 s ASP 492 CO 0.15 -0.32 0.17 0.68 0.13 0.00 0.00 175.17 175.99 2bv3 s VAL 493 N 2.38 0.25 0.05 1.11 -7.23 -0.56 -5.02 120.40 111.38 2bv3 s VAL 493 Ca 0.08 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2bv3 s VAL 493 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2bv3 s VAL 493 CO -0.13 0.00 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.70 2bv3 s GLU 494 N -3.79 0.87 -0.08 4.82 -1.05 -1.26 -1.51 118.70 116.70 2bv3 s GLU 494 Ca 0.36 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 2bv3 s GLU 494 Cb 0.05 -0.87 -0.02 0.00 -0.44 0.00 0.00 34.13 32.84 2bv3 s GLU 494 CO 0.18 0.21 -0.12 0.20 0.95 0.00 0.00 175.26 176.68 2bv3 s GLY 495 N -1.28 1.57 -0.20 -3.83 0.00 0.15 -4.45 107.32 99.29 2bv3 s GLY 495 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 2bv3 s GLY 495 CO 0.01 -0.56 0.29 1.25 0.00 0.00 0.00 173.10 174.10 2bv3 s LYS 496 N -0.40 0.24 -0.30 2.90 2.20 -1.26 -0.84 119.74 122.28 2bv3 s LYS 496 Ca 0.05 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 2bv3 s LYS 496 Cb -0.12 -0.65 0.08 0.00 -1.51 0.00 0.00 37.83 35.63 2bv3 s LYS 496 CO 0.02 -0.56 -0.02 0.12 -0.36 0.00 0.00 175.35 174.56 2bv3 s PHE 497 N 2.43 3.51 -0.31 4.03 5.36 -0.32 -4.90 117.98 127.79 2bv3 s PHE 497 Ca 0.07 -2.69 -0.02 0.00 -0.96 0.00 0.00 56.93 53.34 2bv3 s PHE 497 Cb -0.15 -2.47 0.10 0.00 -0.34 0.00 0.00 43.02 40.16 2bv3 s PHE 497 CO -0.13 -0.92 0.11 0.42 -1.46 0.00 0.00 175.22 173.25 2bv3 s ILE 498 N 1.00 0.59 0.04 3.12 1.01 -1.26 -0.36 121.20 125.35 2bv3 s ILE 498 Ca 0.02 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 2bv3 s ILE 498 Cb -0.19 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2bv3 s ILE 498 CO -0.07 -0.70 0.25 -0.60 0.00 0.00 0.00 174.94 173.82 2bv3 s ARG 499 N 1.75 0.75 -0.44 2.79 6.06 -0.33 -5.01 118.95 124.52 2bv3 s ARG 499 Ca 0.10 -0.58 -0.12 0.00 -2.50 0.00 0.00 55.73 52.63 2bv3 s ARG 499 Cb -0.17 0.32 0.08 0.00 0.06 0.00 0.00 34.95 35.24 2bv3 s ARG 499 CO -0.29 -0.23 0.32 -1.14 -2.50 0.00 0.00 175.30 171.46 2bv3 s GLN 500 N -2.60 2.75 -0.16 5.12 -0.44 -1.26 -1.13 119.66 121.94 2bv3 s GLN 500 Ca -0.05 -1.44 -0.10 0.00 -2.50 0.00 0.00 55.36 51.27 2bv3 s GLN 500 Cb -0.01 -3.93 0.05 0.00 -1.64 0.00 0.00 33.01 27.48 2bv3 s GLN 500 CO -0.04 -1.00 0.38 -0.08 0.50 0.00 0.00 175.29 175.05 2bv3 s THR 501 N 1.51 -0.02 -0.61 -0.34 -1.32 -1.04 -4.97 115.64 108.84 2bv3 s THR 501 Ca 0.03 0.08 -0.03 0.00 -1.21 0.00 0.00 61.69 60.57 2bv3 s THR 501 Cb -0.24 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2bv3 s THR 501 CO 0.04 0.03 0.53 0.61 -2.21 0.00 0.00 174.62 173.62 2bv3 n GLY 502 N 3.98 0.18 2.93 6.08 0.00 -1.26 -3.76 105.19 113.35 2bv3 n GLY 502 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2bv3 n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bv3 n GLY 503 N -1.16 0.96 3.54 -0.02 0.00 -1.26 -4.99 105.19 102.26 2bv3 n GLY 503 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2bv3 n GLY 503 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bv3 s ARG 504 N -0.01 1.42 0.33 1.61 1.70 -1.25 -5.16 118.95 117.60 2bv3 s ARG 504 Ca 0.00 -0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 54.03 2bv3 s ARG 504 Cb 0.00 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2bv3 s ARG 504 CO 0.00 -0.60 1.04 0.20 -1.08 0.00 0.00 175.30 174.86 2bv3 s GLY 505 N -2.91 2.90 -0.04 3.88 0.00 -1.26 -2.50 107.32 107.39 2bv3 s GLY 505 Ca 0.12 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.60 2bv3 s GLY 505 CO 0.00 1.24 -0.10 1.20 0.00 0.00 0.00 173.10 175.44 2bv3 s GLN 506 N -1.93 1.22 -0.23 2.90 -1.52 -0.28 -4.63 119.66 115.19 2bv3 s GLN 506 Ca 0.50 -0.33 -0.05 0.00 -1.95 0.00 0.00 55.36 53.53 2bv3 s GLN 506 Cb -0.25 -1.09 0.12 0.00 -0.22 0.00 0.00 33.01 31.56 2bv3 s GLN 506 CO 0.32 0.07 0.43 -0.47 -0.25 0.00 0.00 175.29 175.39 2bv3 s TYR 507 N 0.42 -0.90 0.02 0.91 6.14 -1.03 -1.19 117.35 121.72 2bv3 s TYR 507 Ca -0.08 1.29 0.02 0.00 0.64 0.00 0.00 57.07 58.94 2bv3 s TYR 507 Cb -0.12 0.23 -0.01 0.00 0.42 0.00 0.00 41.96 42.48 2bv3 s TYR 507 CO 0.01 -0.62 -0.07 0.20 0.64 0.00 0.00 175.55 175.71 2bv3 s GLY 508 N 2.62 0.42 -0.25 8.97 0.00 0.52 -4.21 107.32 115.39 2bv3 s GLY 508 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 2bv3 s GLY 508 CO -0.15 -0.54 0.41 -1.58 0.00 0.00 0.00 173.10 171.25 2bv3 s HIS 509 N -0.77 -0.93 0.03 1.90 5.04 -1.22 -1.18 115.29 118.17 2bv3 s HIS 509 Ca -0.04 1.05 0.08 0.00 -1.54 0.00 0.00 55.06 54.62 2bv3 s HIS 509 Cb -0.06 0.13 -0.03 0.00 0.04 0.00 0.00 32.58 32.67 2bv3 s HIS 509 CO 0.00 -0.71 -0.24 0.14 -2.34 0.00 0.00 174.74 171.59 2bv3 s VAL 510 N 2.60 1.93 -0.07 0.89 -7.23 -0.02 -1.44 120.40 117.07 2bv3 s VAL 510 Ca 0.12 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2bv3 s VAL 510 Cb -0.15 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 2bv3 s VAL 510 CO -0.16 0.34 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.24 2bv3 s LYS 511 N -1.09 2.70 0.05 4.82 1.02 0.12 0.33 119.74 127.68 2bv3 s LYS 511 Ca 0.10 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2bv3 s LYS 511 Cb -0.09 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 2bv3 s LYS 511 CO 0.01 0.42 -0.11 0.96 -0.92 0.00 0.00 175.35 175.72 2bv3 s ILE 512 N -0.24 0.81 -0.10 2.17 -4.36 -0.57 -2.20 121.20 116.72 2bv3 s ILE 512 Ca -0.00 -1.07 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 2bv3 s ILE 512 Cb -0.13 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 2bv3 s ILE 512 CO 0.03 -0.23 0.04 -0.54 0.24 0.00 0.00 174.94 174.48 2bv3 s LYS 513 N -1.44 3.20 -0.08 0.37 1.02 0.03 -1.50 119.74 121.33 2bv3 s LYS 513 Ca -0.04 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.62 2bv3 s LYS 513 Cb -0.09 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2bv3 s LYS 513 CO 0.01 0.67 -0.09 0.08 -0.92 0.00 0.00 175.35 175.10 2bv3 s VAL 514 N -0.78 0.99 0.13 3.17 1.01 -0.59 -0.78 120.40 123.56 2bv3 s VAL 514 Ca 0.12 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2bv3 s VAL 514 Cb -0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2bv3 s VAL 514 CO 0.03 0.34 -0.15 -1.61 0.00 0.00 0.00 175.10 173.71 2bv3 s GLU 515 N 1.11 1.91 0.45 2.72 2.02 -0.78 -0.33 118.70 125.81 2bv3 s GLU 515 Ca -0.06 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 53.53 2bv3 s GLU 515 Cb -0.14 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 2bv3 s GLU 515 CO -0.01 0.47 0.98 -1.25 0.02 0.00 0.00 175.26 175.46 2bv3 s PRO 516 N -2.35 4.08 0.12 0.39 0.04 -1.26 -1.52 135.00 134.50 2bv3 s PRO 516 Ca 0.20 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.49 2bv3 s PRO 516 Cb -0.10 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2bv3 s PRO 516 CO 0.12 -0.17 -0.14 -0.51 0.04 0.00 0.00 177.00 176.34 2bv3 s LEU 517 N -3.36 2.85 0.23 -3.56 1.02 -0.22 -4.83 118.68 110.82 2bv3 s LEU 517 Ca 0.63 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 54.04 2bv3 s LEU 517 Cb -0.11 -1.65 -0.15 0.00 0.02 0.00 0.00 46.19 44.30 2bv3 s LEU 517 CO 0.17 0.17 0.35 -2.65 0.02 0.00 0.00 176.35 174.40 2bv3 n PRO 518 N 0.64 0.00 -1.69 1.29 -0.02 -1.26 -4.74 135.00 129.22 2bv3 n PRO 518 Ca -0.14 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.90 2bv3 n PRO 518 Cb 0.53 -0.89 -0.04 0.00 -0.02 0.00 0.00 33.50 33.08 2bv3 n PRO 518 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2bv3 n ARG 519 N 0.98 2.51 -0.27 -0.52 3.00 -1.26 -1.19 116.66 119.92 2bv3 n ARG 519 Ca 0.14 0.91 0.00 0.00 -0.00 0.00 0.00 57.85 58.90 2bv3 n ARG 519 Cb 0.26 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 29.98 2bv3 n ARG 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bv3 n GLY 520 N 3.88 1.38 0.25 5.14 0.00 -1.26 -4.94 105.19 109.64 2bv3 n GLY 520 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.36 2bv3 n GLY 520 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bv3 h SER 521 N 0.00 0.00 0.00 1.61 0.02 -1.45 -3.49 113.55 110.24 2bv3 h SER 521 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bv3 h SER 521 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2bv3 h SER 521 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2bv3 n GLY 522 N -0.15 0.72 3.16 -3.77 0.00 -1.26 -4.92 105.19 98.96 2bv3 n GLY 522 Ca 0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 2bv3 n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bv3 s PHE 523 N 0.00 1.79 -0.04 1.61 5.36 -1.25 -2.50 117.98 122.95 2bv3 s PHE 523 Ca 0.00 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 2bv3 s PHE 523 Cb 0.00 -1.19 0.01 0.00 -0.34 0.00 0.00 43.02 41.50 2bv3 s PHE 523 CO 0.00 -0.14 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.31 2bv3 s GLU 524 N -0.10 1.23 -0.07 10.12 2.02 -1.11 -5.04 118.70 125.75 2bv3 s GLU 524 Ca -0.01 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2bv3 s GLU 524 Cb -0.11 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.03 2bv3 s GLU 524 CO 0.02 0.08 -0.14 0.12 0.02 0.00 0.00 175.26 175.35 2bv3 s PHE 525 N 0.39 1.64 0.02 1.61 2.19 -1.26 -0.58 117.98 122.00 2bv3 s PHE 525 Ca -0.07 -0.62 0.08 0.00 0.33 0.00 0.00 56.93 56.65 2bv3 s PHE 525 Cb -0.12 -1.17 -0.02 0.00 -1.31 0.00 0.00 43.02 40.39 2bv3 s PHE 525 CO 0.01 -0.30 -0.24 0.08 1.83 0.00 0.00 175.22 176.61 2bv3 s VAL 526 N 0.59 1.95 -0.35 3.12 1.01 -0.42 -5.01 120.40 121.29 2bv3 s VAL 526 Ca -0.15 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 2bv3 s VAL 526 Cb -0.16 -1.66 0.08 0.00 0.00 0.00 0.00 36.38 34.65 2bv3 s VAL 526 CO 0.05 0.38 0.09 0.21 0.00 0.00 0.00 175.10 175.83 2bv3 s ASN 527 N -1.01 5.01 -0.23 3.32 3.84 -1.26 -1.06 114.94 123.55 2bv3 s ASN 527 Ca 0.10 -1.76 0.13 0.00 0.21 0.00 0.00 52.86 51.54 2bv3 s ASN 527 Cb -0.09 -1.74 0.54 0.00 -0.55 0.00 0.00 41.25 39.40 2bv3 s ASN 527 CO 0.01 -0.40 1.48 0.00 -2.79 0.00 0.00 177.10 175.40 2bv3 n ALA 528 N 4.54 3.61 -1.78 1.71 0.00 0.18 -4.97 120.51 123.79 2bv3 n ALA 528 Ca -0.05 -2.61 -0.41 0.00 0.00 0.00 0.00 53.44 50.37 2bv3 n ALA 528 Cb 0.42 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 2bv3 n ALA 528 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bv3 s ILE 529 N -2.99 2.77 0.02 0.00 -1.09 -1.21 -4.74 121.20 113.97 2bv3 s ILE 529 Ca 0.44 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.71 2bv3 s ILE 529 Cb 0.37 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2bv3 s ILE 529 CO 0.06 0.18 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.04 2bv3 s VAL 530 N -1.03 1.77 -1.33 2.92 1.01 -1.26 -4.88 120.40 117.59 2bv3 s VAL 530 Ca 0.49 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2bv3 s VAL 530 Cb -0.39 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2bv3 s VAL 530 CO 0.51 0.33 0.61 0.61 0.00 0.00 0.00 175.10 177.16 2bv3 n GLY 531 N 2.07 -0.30 2.16 4.51 0.00 -1.26 -2.50 105.19 109.87 2bv3 n GLY 531 Ca -0.16 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2bv3 n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bv3 n GLY 532 N -1.72 1.13 0.33 -0.02 0.00 -1.26 -4.85 105.19 98.81 2bv3 n GLY 532 Ca -0.30 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2bv3 n GLY 532 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bv3 h VAL 533 N 0.00 0.10 -3.41 1.61 2.07 -1.87 -3.09 116.25 111.66 2bv3 h VAL 533 Ca -0.24 -0.01 -0.63 0.00 0.82 0.00 0.00 66.70 66.63 2bv3 h VAL 533 Cb 0.88 0.06 -0.20 0.00 -1.52 0.00 0.00 31.29 30.51 2bv3 h VAL 533 CO 0.36 0.01 -0.62 -0.63 0.02 0.00 0.00 177.57 176.71 2bv3 s ILE 534 N -6.06 4.33 0.42 4.57 1.01 -1.26 -4.08 121.20 120.13 2bv3 s ILE 534 Ca -0.13 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 2bv3 s ILE 534 Cb 0.27 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.69 2bv3 s ILE 534 CO 0.77 0.43 1.43 -2.84 0.00 0.00 0.00 174.94 174.73 2bv3 s PRO 535 N 0.78 3.88 0.25 2.79 0.02 -1.17 -4.90 135.00 136.65 2bv3 s PRO 535 Ca 0.02 2.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 2bv3 s PRO 535 Cb -0.14 -2.79 0.26 0.00 0.02 0.00 0.00 34.50 31.85 2bv3 s PRO 535 CO 0.02 -0.66 1.91 1.57 -0.33 0.00 0.00 177.00 179.51 2bv3 h LYS 536 N 2.63 1.30 0.00 5.54 2.10 -1.99 -1.79 116.57 124.36 2bv3 h LYS 536 Ca -0.51 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 2bv3 h LYS 536 Cb 1.25 -0.28 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2bv3 h LYS 536 CO 0.62 0.88 0.11 -0.85 -2.00 0.00 0.00 179.45 178.22 2bv3 n GLU 537 N -4.37 0.00 -0.00 0.07 0.00 -1.26 -2.23 120.64 112.85 2bv3 n GLU 537 Ca 0.11 0.31 0.05 0.00 0.00 0.00 0.00 57.16 57.63 2bv3 n GLU 537 Cb 0.04 -1.61 -0.07 0.00 0.00 0.00 0.00 31.44 29.80 2bv3 n GLU 537 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2bv3 n TYR 538 N -1.29 0.00 -0.25 -1.84 4.01 -0.67 -4.62 117.16 112.50 2bv3 n TYR 538 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2bv3 n TYR 538 Cb 0.11 -0.06 0.12 0.00 -0.31 0.00 0.00 39.34 39.20 2bv3 n TYR 538 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2bv3 h ILE 539 N 0.00 0.93 -0.92 -0.72 1.08 -1.56 -1.67 117.51 114.65 2bv3 h ILE 539 Ca 0.00 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 2bv3 h ILE 539 Cb 0.32 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 2bv3 h ILE 539 CO 0.00 0.13 0.61 -0.65 -0.69 0.00 0.00 178.15 177.54 2bv3 h PRO 540 N 0.69 1.19 -0.72 2.37 0.11 -1.82 -1.29 132.00 132.52 2bv3 h PRO 540 Ca 0.33 -0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.45 2bv3 h PRO 540 Cb 0.26 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2bv3 h PRO 540 CO -0.22 0.79 0.38 0.00 -0.21 0.00 0.00 178.00 178.74 2bv3 h ALA 541 N 1.35 1.00 -0.09 -0.75 0.00 -1.61 -0.63 119.26 118.54 2bv3 h ALA 541 Ca 0.35 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.09 2bv3 h ALA 541 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2bv3 h ALA 541 CO -0.09 0.01 -0.80 -0.24 0.00 0.00 0.00 179.25 178.12 2bv3 h VAL 542 N 0.66 1.34 -0.62 0.00 3.04 -0.72 -2.34 116.25 117.61 2bv3 h VAL 542 Ca 0.35 -2.14 0.08 0.00 -1.01 0.00 0.00 66.70 63.98 2bv3 h VAL 542 Cb 0.32 2.14 -0.06 0.00 -2.01 0.00 0.00 31.29 31.67 2bv3 h VAL 542 CO -0.24 0.66 0.28 1.56 -1.01 0.00 0.00 177.57 178.82 2bv3 h GLN 543 N 0.37 0.50 -0.91 4.17 4.20 -1.03 -1.63 115.11 120.77 2bv3 h GLN 543 Ca -0.05 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2bv3 h GLN 543 Cb 1.41 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 2bv3 h GLN 543 CO 0.15 0.33 0.60 -0.22 -0.67 0.00 0.00 178.83 179.02 2bv3 h LYS 544 N 0.51 1.20 -0.29 1.46 3.64 -0.74 -1.58 116.57 120.77 2bv3 h LYS 544 Ca 0.30 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2bv3 h LYS 544 Cb 0.30 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2bv3 h LYS 544 CO -0.25 0.80 -0.16 0.78 -2.27 0.00 0.00 179.45 178.35 2bv3 h GLY 545 N 1.24 0.68 0.46 5.01 0.00 -1.03 -1.73 103.07 107.69 2bv3 h GLY 545 Ca 0.33 -0.62 0.06 0.00 0.00 0.00 0.00 47.33 47.10 2bv3 h GLY 545 CO -0.07 0.57 0.00 -2.22 0.00 0.00 0.00 176.54 174.82 2bv3 h ILE 546 N 0.37 0.75 -0.24 2.60 2.04 -0.78 -2.19 117.51 120.07 2bv3 h ILE 546 Ca 0.06 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2bv3 h ILE 546 Cb 0.69 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2bv3 h ILE 546 CO 0.05 0.02 0.08 -0.08 0.00 0.00 0.00 178.15 178.21 2bv3 h GLU 547 N 0.10 0.18 -0.62 2.37 4.81 -1.21 -2.42 114.58 117.80 2bv3 h GLU 547 Ca 0.17 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2bv3 h GLU 547 Cb 0.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2bv3 h GLU 547 CO -0.28 0.12 0.35 0.93 -0.73 0.00 0.00 179.01 179.40 2bv3 h GLU 548 N 0.19 0.64 0.00 1.92 5.08 -1.01 -2.53 114.58 118.86 2bv3 h GLU 548 Ca 0.10 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2bv3 h GLU 548 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2bv3 h GLU 548 CO -0.11 0.43 -0.43 0.00 -1.00 0.00 0.00 179.01 177.89 2bv3 h ALA 549 N 1.31 1.08 0.00 3.43 0.00 -1.17 -2.92 119.26 120.99 2bv3 h ALA 549 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bv3 h ALA 549 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bv3 h ALA 549 CO -0.16 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.30 2bv3 n MET 550 N -3.72 0.37 0.08 0.00 2.81 -0.93 -2.38 117.12 113.35 2bv3 n MET 550 Ca -0.01 0.08 -0.05 0.00 -1.81 0.00 0.00 57.70 55.90 2bv3 n MET 550 Cb 0.50 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 2bv3 n MET 550 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2bv3 h GLN 551 N 0.00 0.01 -3.70 0.03 4.20 -1.54 -0.02 115.11 114.09 2bv3 h GLN 551 Ca 0.00 -0.01 -0.44 0.00 0.06 0.00 0.00 58.65 58.26 2bv3 h GLN 551 Cb 0.11 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.51 2bv3 h GLN 551 CO 0.00 0.89 -0.77 0.45 -0.67 0.00 0.00 178.83 178.73 2bv3 s SER 552 N -6.76 1.59 0.00 1.46 0.15 -1.00 -2.73 113.70 106.41 2bv3 s SER 552 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2bv3 s SER 552 Cb 0.11 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2bv3 s SER 552 CO 0.80 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.66 2bv3 n GLY 553 N 5.15 1.53 0.10 9.45 0.00 -1.00 -4.87 105.19 115.55 2bv3 n GLY 553 Ca -0.07 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 2bv3 n GLY 553 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bv3 n PRO 554 N 0.00 0.68 -0.03 1.61 -0.04 -1.26 -3.90 135.00 132.06 2bv3 n PRO 554 Ca 0.00 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 2bv3 n PRO 554 Cb 0.00 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 2bv3 n PRO 554 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bv3 h LEU 555 N 0.00 0.14 -0.15 1.53 -0.00 -1.96 -3.43 115.31 111.44 2bv3 h LEU 555 Ca -0.54 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.45 2bv3 h LEU 555 Cb 2.20 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.82 2bv3 h LEU 555 CO 0.02 1.02 0.00 2.30 -0.00 0.00 0.00 178.44 181.78 2bv3 n ILE 556 N -4.52 0.00 -0.33 1.22 -5.35 -1.26 -5.00 119.36 104.12 2bv3 n ILE 556 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2bv3 n ILE 556 Cb 0.52 1.58 0.00 0.00 -1.74 0.00 0.00 39.64 40.00 2bv3 n ILE 556 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bv3 n GLY 557 N 0.00 0.81 3.81 3.28 0.00 -1.25 -4.99 105.19 106.85 2bv3 n GLY 557 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2bv3 n GLY 557 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bv3 s PHE 558 N -2.00 3.10 0.44 1.61 0.40 -1.26 -4.17 117.98 116.10 2bv3 s PHE 558 Ca 0.00 -0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 55.99 2bv3 s PHE 558 Cb 0.00 -1.41 -0.10 0.00 0.51 0.00 0.00 43.02 42.03 2bv3 s PHE 558 CO 0.00 0.53 1.10 -2.30 0.70 0.00 0.00 175.22 175.25 2bv3 n PRO 559 N -1.04 1.51 -3.02 0.24 -0.02 -1.10 -2.37 135.00 129.19 2bv3 n PRO 559 Ca -0.08 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 2bv3 n PRO 559 Cb 0.57 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 2bv3 n PRO 559 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bv3 s VAL 560 N -1.27 4.80 0.01 -1.45 1.01 -0.02 -1.76 120.40 121.71 2bv3 s VAL 560 Ca 0.64 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 64.12 2bv3 s VAL 560 Cb -0.53 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2bv3 s VAL 560 CO 0.56 0.36 -0.09 1.33 0.00 0.00 0.00 175.10 177.25 2bv3 n VAL 561 N 2.93 1.11 -3.28 2.92 0.24 -0.44 -4.91 118.33 116.90 2bv3 n VAL 561 Ca -0.03 0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 62.14 2bv3 n VAL 561 Cb 0.50 -1.75 -0.03 0.00 -1.47 0.00 0.00 33.84 31.10 2bv3 n VAL 561 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2bv3 n ASP 562 N -3.66 5.23 -4.09 -1.34 10.43 -1.24 -3.83 116.55 118.05 2bv3 n ASP 562 Ca -0.06 -3.32 -0.13 0.00 2.57 0.00 0.00 54.79 53.85 2bv3 n ASP 562 Cb 0.24 -1.09 -0.11 0.00 1.84 0.00 0.00 41.12 41.99 2bv3 n ASP 562 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2bv3 s ILE 563 N -2.26 0.58 -0.21 0.53 -4.36 -1.04 -1.05 121.20 113.39 2bv3 s ILE 563 Ca 0.32 -1.26 -0.02 0.00 -0.26 0.00 0.00 60.65 59.43 2bv3 s ILE 563 Cb 0.03 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.91 2bv3 s ILE 563 CO 0.01 -0.48 -0.10 -0.75 0.24 0.00 0.00 174.94 173.86 2bv3 s LYS 564 N -2.05 3.20 -0.16 0.37 2.20 -0.57 -2.76 119.74 119.97 2bv3 s LYS 564 Ca -0.05 -0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 54.77 2bv3 s LYS 564 Cb -0.07 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2bv3 s LYS 564 CO -0.01 -0.22 0.04 0.08 -0.36 0.00 0.00 175.35 174.88 2bv3 s VAL 565 N 1.40 4.63 -0.17 4.02 1.01 0.25 -1.86 120.40 129.68 2bv3 s VAL 565 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2bv3 s VAL 565 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2bv3 s VAL 565 CO -0.07 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.53 2bv3 s THR 566 N 0.05 1.52 -0.24 3.92 2.01 0.04 -1.30 115.64 121.65 2bv3 s THR 566 Ca 0.04 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 2bv3 s THR 566 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2bv3 s THR 566 CO 0.01 0.30 0.67 -0.22 -0.69 0.00 0.00 174.62 174.69 2bv3 s LEU 567 N 1.48 4.08 0.00 4.42 2.96 -0.22 -0.79 118.68 130.60 2bv3 s LEU 567 Ca 0.02 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 2bv3 s LEU 567 Cb -0.14 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2bv3 s LEU 567 CO -0.09 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.56 2bv3 n TYR 568 N 5.63 0.00 -3.83 5.38 4.11 -0.93 0.51 117.16 128.02 2bv3 n TYR 568 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.82 2bv3 n TYR 568 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.84 2bv3 n TYR 568 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2bv3 s ASP 569 N -0.79 -0.05 0.00 9.48 -1.08 -1.22 -4.41 116.67 118.61 2bv3 s ASP 569 Ca 0.00 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 2bv3 s ASP 569 Cb 0.00 0.81 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 2bv3 s ASP 569 CO 0.00 -1.57 0.00 0.61 0.52 0.00 0.00 175.17 174.73 2bv3 n GLY 570 N -0.51 -0.54 3.76 2.66 0.00 -1.26 -0.70 105.19 108.60 2bv3 n GLY 570 Ca -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 2bv3 n GLY 570 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bv3 s SER 571 N -4.00 -0.16 0.27 1.61 1.04 -0.52 -4.80 113.70 107.14 2bv3 s SER 571 Ca 0.00 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.92 2bv3 s SER 571 Cb 0.00 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 2bv3 s SER 571 CO 0.00 -0.91 0.45 -0.72 0.98 0.00 0.00 173.24 173.04 2bv3 s TYR 572 N -3.21 0.64 0.01 5.02 1.13 -1.26 -3.45 117.35 116.23 2bv3 s TYR 572 Ca 0.13 -0.96 0.08 0.00 -1.41 0.00 0.00 57.07 54.90 2bv3 s TYR 572 Cb -0.01 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2bv3 s TYR 572 CO 0.02 -1.02 -0.23 -1.58 -2.51 0.00 0.00 175.55 170.24 2bv3 s HIS 573 N -3.70 2.05 0.33 -3.49 2.46 -1.26 -5.02 115.29 106.67 2bv3 s HIS 573 Ca 0.26 -0.39 0.08 0.00 0.47 0.00 0.00 55.06 55.49 2bv3 s HIS 573 Cb 0.00 -1.27 0.58 0.00 -0.13 0.00 0.00 32.58 31.76 2bv3 s HIS 573 CO 0.13 0.04 1.78 1.05 -2.47 0.00 0.00 174.74 175.26 2bv3 h GLU 574 N 5.20 0.20 0.00 2.88 9.09 -1.99 -2.92 114.58 127.04 2bv3 h GLU 574 Ca -0.43 -0.08 -0.17 0.00 0.05 0.00 0.00 59.36 58.74 2bv3 h GLU 574 Cb 1.14 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.20 2bv3 h GLU 574 CO 0.46 0.52 -1.64 1.55 0.05 0.00 0.00 179.01 179.94 2bv3 n VAL 575 N -4.10 0.64 0.51 -1.06 3.14 -1.26 -4.79 118.33 111.41 2bv3 n VAL 575 Ca -0.01 -0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.19 2bv3 n VAL 575 Cb 0.41 -0.84 0.39 0.00 -1.06 0.00 0.00 33.84 32.74 2bv3 n VAL 575 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2bv3 h ASP 576 N 0.00 0.00 -4.24 6.55 3.45 -1.82 -3.46 116.42 116.90 2bv3 h ASP 576 Ca -0.25 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.70 2bv3 h ASP 576 Cb 1.47 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 40.33 2bv3 h ASP 576 CO -0.02 0.00 0.37 -0.44 -1.57 0.00 0.00 179.24 177.58 2bv3 s SER 577 N -4.83 5.25 0.08 6.45 0.01 -1.10 -2.46 113.70 117.10 2bv3 s SER 577 Ca 0.09 1.86 -0.27 0.00 1.31 0.00 0.00 55.95 58.94 2bv3 s SER 577 Cb 0.10 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.88 2bv3 s SER 577 CO 0.58 -1.53 0.99 -0.94 0.41 0.00 0.00 173.24 172.74 2bv3 s SER 578 N -2.95 -0.21 0.25 2.44 1.04 -1.26 -4.90 113.70 108.11 2bv3 s SER 578 Ca 0.64 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 2bv3 s SER 578 Cb -0.18 0.41 0.32 0.00 0.10 0.00 0.00 66.02 66.67 2bv3 s SER 578 CO 0.44 -0.74 1.72 -0.33 0.98 0.00 0.00 173.24 175.32 2bv3 h GLU 579 N 2.00 0.72 -0.39 4.02 5.08 -1.95 -3.02 114.58 121.05 2bv3 h GLU 579 Ca -0.24 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2bv3 h GLU 579 Cb 1.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2bv3 h GLU 579 CO 0.27 0.80 0.23 1.98 -1.00 0.00 0.00 179.01 181.29 2bv3 h MET 580 N 0.66 0.54 -0.51 2.33 4.05 -1.97 -1.47 114.93 118.56 2bv3 h MET 580 Ca 0.11 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2bv3 h MET 580 Cb 0.56 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2bv3 h MET 580 CO 0.03 0.42 0.21 0.00 0.23 0.00 0.00 176.91 177.80 2bv3 h ALA 581 N 1.09 0.66 0.00 0.39 0.00 -1.88 -2.57 119.26 116.95 2bv3 h ALA 581 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2bv3 h ALA 581 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2bv3 h ALA 581 CO -0.02 0.27 -0.46 0.74 0.00 0.00 0.00 179.25 179.77 2bv3 h PHE 582 N 0.69 0.00 -0.21 0.00 -1.00 -1.44 -1.41 116.94 113.57 2bv3 h PHE 582 Ca 0.17 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 2bv3 h PHE 582 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2bv3 h PHE 582 CO 0.00 0.46 0.12 -0.22 -1.61 0.00 0.00 178.31 177.07 2bv3 h LYS 583 N 0.00 0.29 -0.23 1.51 3.64 -1.00 -2.22 116.57 118.56 2bv3 h LYS 583 Ca -0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 2bv3 h LYS 583 Cb 1.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2bv3 h LYS 583 CO 0.06 0.25 -0.54 0.82 -2.27 0.00 0.00 179.45 177.77 2bv3 h ILE 584 N 0.24 1.29 -0.58 2.00 2.04 -1.33 -2.45 117.51 118.71 2bv3 h ILE 584 Ca 0.07 -1.75 0.12 0.00 1.00 0.00 0.00 64.86 64.30 2bv3 h ILE 584 Cb 0.05 1.79 -0.11 0.00 -0.74 0.00 0.00 36.82 37.81 2bv3 h ILE 584 CO -0.01 0.56 -0.20 0.00 0.00 0.00 0.00 178.15 178.50 2bv3 h ALA 585 N 0.62 0.28 -0.27 1.87 0.00 -1.24 0.92 119.26 121.44 2bv3 h ALA 585 Ca -0.00 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2bv3 h ALA 585 Cb 1.15 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2bv3 h ALA 585 CO 0.12 -0.49 -0.05 0.78 0.00 0.00 0.00 179.25 179.60 2bv3 h GLY 586 N -0.05 0.55 0.48 0.00 0.00 -1.30 -2.05 103.07 100.70 2bv3 h GLY 586 Ca 0.27 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.23 2bv3 h GLY 586 CO -0.63 0.41 0.21 0.23 0.00 0.00 0.00 176.54 176.76 2bv3 h SER 587 N 0.27 0.22 -0.51 0.19 0.87 -1.14 -2.15 113.55 111.30 2bv3 h SER 587 Ca 0.07 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2bv3 h SER 587 Cb 0.52 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 2bv3 h SER 587 CO 0.02 0.15 0.24 0.24 -0.53 0.00 0.00 176.83 176.95 2bv3 h MET 588 N 0.40 0.45 0.48 2.24 2.86 -0.70 -2.92 114.93 117.73 2bv3 h MET 588 Ca 0.27 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2bv3 h MET 588 Cb 0.30 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2bv3 h MET 588 CO -0.26 0.30 -0.37 0.00 1.06 0.00 0.00 176.91 177.64 2bv3 h ALA 589 N 1.29 -0.86 0.00 6.32 0.00 -0.75 -2.66 119.26 122.60 2bv3 h ALA 589 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2bv3 h ALA 589 Cb 0.17 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2bv3 h ALA 589 CO -0.18 -1.01 -0.03 0.97 0.00 0.00 0.00 179.25 179.00 2bv3 h ILE 590 N -0.83 0.92 -0.19 0.00 6.09 -1.45 -1.07 117.51 120.98 2bv3 h ILE 590 Ca -0.05 -0.10 -0.05 0.00 -1.37 0.00 0.00 64.86 63.29 2bv3 h ILE 590 Cb 0.71 1.06 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 2bv3 h ILE 590 CO 0.00 0.03 -0.07 0.50 -3.07 0.00 0.00 178.15 175.54 2bv3 h LYS 591 N 0.00 0.38 -0.62 2.19 1.63 -1.29 -2.34 116.57 116.52 2bv3 h LYS 591 Ca -0.00 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2bv3 h LYS 591 Cb 0.06 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 2bv3 h LYS 591 CO 0.00 0.66 0.26 1.49 -3.45 0.00 0.00 179.45 178.41 2bv3 h GLU 592 N 0.08 0.91 -0.88 1.90 4.57 -1.08 -2.68 114.58 117.40 2bv3 h GLU 592 Ca 0.04 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2bv3 h GLU 592 Cb 0.54 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 2bv3 h GLU 592 CO 0.02 0.77 0.57 0.00 -1.18 0.00 0.00 179.01 179.19 2bv3 h ALA 593 N 1.10 1.35 0.00 2.92 0.00 -1.11 -2.13 119.26 121.39 2bv3 h ALA 593 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2bv3 h ALA 593 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bv3 h ALA 593 CO -0.02 0.59 -0.37 0.28 0.00 0.00 0.00 179.25 179.73 2bv3 h VAL 594 N 1.19 0.75 0.02 0.00 2.07 -1.13 -1.92 116.25 117.23 2bv3 h VAL 594 Ca 0.32 -1.68 -0.25 0.00 0.82 0.00 0.00 66.70 65.91 2bv3 h VAL 594 Cb -0.12 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2bv3 h VAL 594 CO -0.07 0.37 -1.03 1.56 0.02 0.00 0.00 177.57 178.42 2bv3 h GLN 595 N 0.00 0.52 0.00 1.57 4.20 -1.12 -3.32 115.11 116.96 2bv3 h GLN 595 Ca -0.00 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.10 2bv3 h GLN 595 Cb 1.06 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2bv3 h GLN 595 CO 0.05 1.21 -0.39 0.87 -0.67 0.00 0.00 178.83 179.90 2bv3 h LYS 596 N 0.28 0.00 -1.04 1.46 1.79 -1.31 -3.39 116.57 114.36 2bv3 h LYS 596 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2bv3 h LYS 596 Cb 1.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 2bv3 h LYS 596 CO 0.19 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 2bv3 n GLY 597 N 1.15 1.84 3.79 3.86 0.00 -0.73 -4.81 105.19 110.28 2bv3 n GLY 597 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2bv3 n GLY 597 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bv3 n ASP 598 N 0.47 -5.04 -4.81 1.61 8.00 -1.26 -0.13 116.55 115.39 2bv3 n ASP 598 Ca 0.00 -1.01 -0.33 0.00 0.71 0.00 0.00 54.79 54.16 2bv3 n ASP 598 Cb 0.45 -2.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.03 2bv3 n ASP 598 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2bv3 s PRO 599 N -5.90 3.43 0.16 -0.24 0.04 -1.26 -3.16 135.00 128.07 2bv3 s PRO 599 Ca 0.31 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2bv3 s PRO 599 Cb -0.14 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2bv3 s PRO 599 CO 0.90 -0.71 -0.05 0.54 0.04 0.00 0.00 177.00 177.72 2bv3 s VAL 600 N -2.49 0.93 -0.16 -0.36 0.11 -0.45 -4.92 120.40 113.05 2bv3 s VAL 600 Ca 0.63 -2.01 -0.08 0.00 -2.93 0.00 0.00 61.98 57.59 2bv3 s VAL 600 Cb -0.15 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.66 2bv3 s VAL 600 CO 0.36 -0.60 0.10 -0.63 -3.33 0.00 0.00 175.10 171.00 2bv3 s ILE 601 N -3.49 5.17 -0.25 7.04 1.01 -1.26 -2.73 121.20 126.69 2bv3 s ILE 601 Ca 0.20 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 2bv3 s ILE 601 Cb 0.05 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2bv3 s ILE 601 CO 0.02 0.51 0.07 -0.76 0.00 0.00 0.00 174.94 174.79 2bv3 s LEU 602 N -0.14 3.47 0.11 2.97 1.43 -0.62 -2.09 118.68 123.80 2bv3 s LEU 602 Ca 0.09 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2bv3 s LEU 602 Cb -0.12 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2bv3 s LEU 602 CO 0.01 -0.02 0.15 -1.83 0.23 0.00 0.00 176.35 174.88 2bv3 s GLU 603 N 1.56 3.07 0.02 1.70 -1.05 0.13 -1.83 118.70 122.30 2bv3 s GLU 603 Ca 0.06 -0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 2bv3 s GLU 603 Cb -0.15 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.70 2bv3 s GLU 603 CO 0.04 0.55 1.11 -1.25 0.95 0.00 0.00 175.26 176.65 2bv3 s PRO 604 N -2.73 4.47 -0.21 -4.83 0.04 -1.26 -0.68 135.00 129.81 2bv3 s PRO 604 Ca 0.32 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 2bv3 s PRO 604 Cb -0.12 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2bv3 s PRO 604 CO 0.24 -0.19 0.30 0.42 0.04 0.00 0.00 177.00 177.82 2bv3 s ILE 605 N 1.16 5.26 0.23 0.56 -1.09 0.25 -2.51 121.20 125.06 2bv3 s ILE 605 Ca 0.56 0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 59.36 2bv3 s ILE 605 Cb -0.25 -3.64 -0.08 0.00 -1.58 0.00 0.00 42.46 36.91 2bv3 s ILE 605 CO 0.28 0.30 0.59 -0.04 -1.23 0.00 0.00 174.94 174.83 2bv3 s MET 606 N 1.15 3.89 -0.21 2.79 -1.94 0.29 -1.89 119.30 123.38 2bv3 s MET 606 Ca 0.15 0.41 -0.19 0.00 -1.71 0.00 0.00 55.69 54.35 2bv3 s MET 606 Cb -0.14 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 2bv3 s MET 606 CO 0.06 0.32 0.54 0.50 -0.01 0.00 0.00 175.02 176.43 2bv3 s ARG 607 N -2.65 4.17 -0.06 2.03 3.52 0.13 -1.78 118.95 124.31 2bv3 s ARG 607 Ca 0.47 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 56.55 2bv3 s ARG 607 Cb -0.12 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2bv3 s ARG 607 CO 0.20 -0.21 -0.21 0.08 -0.81 0.00 0.00 175.30 174.35 2bv3 s VAL 608 N 1.83 1.78 -0.22 7.11 1.01 0.12 -1.20 120.40 130.83 2bv3 s VAL 608 Ca 0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2bv3 s VAL 608 Cb -0.15 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2bv3 s VAL 608 CO 0.10 0.50 -0.11 -1.61 0.00 0.00 0.00 175.10 173.97 2bv3 s GLU 609 N 0.10 2.89 -0.19 2.72 2.02 -0.07 -0.60 118.70 125.56 2bv3 s GLU 609 Ca -0.08 -0.93 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 2bv3 s GLU 609 Cb -0.14 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 2bv3 s GLU 609 CO 0.05 -0.33 -0.08 0.08 0.02 0.00 0.00 175.26 174.99 2bv3 s VAL 610 N 1.31 3.13 -0.26 2.63 1.01 -0.51 -1.13 120.40 126.58 2bv3 s VAL 610 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2bv3 s VAL 610 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2bv3 s VAL 610 CO -0.07 0.46 0.14 0.42 0.00 0.00 0.00 175.10 176.05 2bv3 s THR 611 N 1.19 4.91 -0.04 3.92 -4.23 -0.05 -0.35 115.64 120.99 2bv3 s THR 611 Ca 0.02 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2bv3 s THR 611 Cb -0.14 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.39 2bv3 s THR 611 CO -0.03 0.30 0.10 0.28 -0.54 0.00 0.00 174.62 174.73 2bv3 s THR 612 N 1.60 0.00 0.48 3.99 -1.32 0.33 -2.10 115.64 118.62 2bv3 s THR 612 Ca 0.07 -0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.32 2bv3 s THR 612 Cb -0.15 -0.14 -0.08 0.00 -1.51 0.00 0.00 72.50 70.61 2bv3 s THR 612 CO 0.07 -0.00 1.08 -2.65 -2.21 0.00 0.00 174.62 170.91 2bv3 n PRO 613 N 3.03 1.38 0.24 7.08 -0.02 -1.26 -0.90 135.00 144.55 2bv3 n PRO 613 Ca -0.12 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 2bv3 n PRO 613 Cb 0.59 -2.19 0.60 0.00 -0.02 0.00 0.00 33.50 32.48 2bv3 n PRO 613 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2bv3 h GLU 614 N 1.36 0.00 -0.23 -0.52 5.08 -1.94 -2.60 114.58 115.73 2bv3 h GLU 614 Ca -0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 2bv3 h GLU 614 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2bv3 h GLU 614 CO 0.56 0.10 -0.08 1.05 -1.00 0.00 0.00 179.01 179.64 2bv3 h GLU 615 N 0.00 0.36 -0.01 2.33 4.11 -1.97 -2.06 114.58 117.34 2bv3 h GLU 615 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2bv3 h GLU 615 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2bv3 h GLU 615 CO 0.01 0.46 -0.14 0.66 0.07 0.00 0.00 179.01 180.07 2bv3 n TYR 616 N -4.27 0.00 0.09 2.06 4.02 -0.99 -4.47 117.16 113.60 2bv3 n TYR 616 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.06 2bv3 n TYR 616 Cb 0.26 -0.06 0.70 0.00 -0.02 0.00 0.00 39.34 40.22 2bv3 n TYR 616 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 2bv3 h MET 617 N 1.89 0.00 0.05 -0.72 4.05 -1.30 -0.94 114.93 117.95 2bv3 h MET 617 Ca 0.00 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 2bv3 h MET 617 Cb 0.53 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2bv3 h MET 617 CO 0.00 0.00 -1.18 0.78 0.23 0.00 0.00 176.91 176.74 2bv3 h GLY 618 N 0.00 0.11 1.46 1.39 0.00 -1.78 -3.21 103.07 101.04 2bv3 h GLY 618 Ca 0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 2bv3 h GLY 618 CO -0.00 0.25 -1.01 -1.80 0.00 0.00 0.00 176.54 173.98 2bv3 h ASP 619 N 0.03 0.63 -0.24 0.19 3.58 -1.51 -2.45 116.42 116.64 2bv3 h ASP 619 Ca -0.09 -0.52 -0.07 0.00 0.42 0.00 0.00 57.03 56.76 2bv3 h ASP 619 Cb 1.87 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.72 2bv3 h ASP 619 CO 0.15 1.33 -0.13 1.62 -2.88 0.00 0.00 179.24 179.32 2bv3 h VAL 620 N 0.26 1.31 -0.60 2.25 3.04 -1.45 -2.11 116.25 118.93 2bv3 h VAL 620 Ca -0.10 -1.23 0.01 0.00 -1.01 0.00 0.00 66.70 64.37 2bv3 h VAL 620 Cb 1.66 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 32.50 2bv3 h VAL 620 CO 0.18 0.38 0.40 0.40 -1.01 0.00 0.00 177.57 177.92 2bv3 h ILE 621 N 0.23 1.14 -0.51 3.17 2.04 -1.62 0.16 117.51 122.12 2bv3 h ILE 621 Ca 0.05 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.74 2bv3 h ILE 621 Cb 0.64 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2bv3 h ILE 621 CO 0.04 0.15 -0.01 1.23 0.00 0.00 0.00 178.15 179.55 2bv3 h GLY 622 N 0.81 0.52 0.93 5.37 0.00 -1.43 -1.98 103.07 107.28 2bv3 h GLY 622 Ca 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 2bv3 h GLY 622 CO -0.06 -0.15 -0.02 -1.80 0.00 0.00 0.00 176.54 174.52 2bv3 h ASP 623 N 0.10 0.64 -0.94 0.19 1.82 -0.63 -2.56 116.42 115.05 2bv3 h ASP 623 Ca 0.26 -0.32 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2bv3 h ASP 623 Cb 0.40 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.19 2bv3 h ASP 623 CO -0.44 0.81 0.58 -0.07 -1.61 0.00 0.00 179.24 178.51 2bv3 h LEU 624 N 0.46 1.12 -1.23 2.28 3.38 -0.50 -2.17 115.31 118.65 2bv3 h LEU 624 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2bv3 h LEU 624 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2bv3 h LEU 624 CO 0.02 0.84 -0.38 0.78 0.09 0.00 0.00 178.44 179.80 2bv3 h ASN 625 N 1.29 0.00 0.68 -0.43 -0.26 -1.31 -2.25 115.58 113.30 2bv3 h ASN 625 Ca 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 2bv3 h ASN 625 Cb -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 2bv3 h ASN 625 CO -0.07 0.38 0.00 0.00 -1.06 0.00 0.00 177.43 176.68 2bv3 n ALA 626 N -2.43 1.83 -1.07 -0.83 0.00 -0.85 -2.99 120.51 114.16 2bv3 n ALA 626 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2bv3 n ALA 626 Cb 0.42 -1.31 0.30 0.00 0.00 0.00 0.00 19.45 18.86 2bv3 n ALA 626 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bv3 n ARG 627 N -1.64 3.54 -2.88 0.00 1.74 -0.88 -4.90 116.66 111.63 2bv3 n ARG 627 Ca 0.04 -3.08 -0.22 0.00 -0.77 0.00 0.00 57.85 53.82 2bv3 n ARG 627 Cb 0.22 -2.17 0.02 0.00 -1.02 0.00 0.00 32.46 29.52 2bv3 n ARG 627 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bv3 n ARG 628 N -0.26 -4.16 -2.91 5.56 1.74 -1.16 -4.51 116.66 110.96 2bv3 n ARG 628 Ca 0.39 0.93 -0.26 0.00 -0.77 0.00 0.00 57.85 58.15 2bv3 n ARG 628 Cb 1.33 -5.75 -0.00 0.00 -1.02 0.00 0.00 32.46 27.02 2bv3 n ARG 628 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bv3 s GLY 629 N -2.55 1.46 -0.19 -0.13 0.00 -0.99 -4.65 107.32 100.28 2bv3 s GLY 629 Ca 0.24 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 2bv3 s GLY 629 CO 0.29 -0.58 -0.16 1.62 0.00 0.00 0.00 173.10 174.27 2bv3 s GLN 630 N -4.60 3.09 -0.39 2.90 0.74 -0.78 -4.66 119.66 115.96 2bv3 s GLN 630 Ca 0.45 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.79 2bv3 s GLN 630 Cb -0.10 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.35 2bv3 s GLN 630 CO 0.41 -0.19 1.32 0.42 -0.55 0.00 0.00 175.29 176.70 2bv3 s ILE 631 N 1.30 4.05 -0.10 -2.34 1.09 -1.26 -2.22 121.20 121.71 2bv3 s ILE 631 Ca 0.04 1.11 -0.22 0.00 -1.10 0.00 0.00 60.65 60.49 2bv3 s ILE 631 Cb -0.13 -4.27 -0.28 0.00 -1.06 0.00 0.00 42.46 36.72 2bv3 s ILE 631 CO -0.10 -0.71 0.70 -0.07 -0.10 0.00 0.00 174.94 174.66 2bv3 h LEU 632 N 11.55 0.28 0.00 2.97 3.38 -1.67 -3.49 115.31 128.34 2bv3 h LEU 632 Ca -0.26 -0.89 0.04 0.00 0.09 0.00 0.00 57.88 56.86 2bv3 h LEU 632 Cb 1.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2bv3 h LEU 632 CO 1.08 1.37 0.28 0.61 0.09 0.00 0.00 178.44 181.87 2bv3 n GLY 633 N 1.65 1.10 3.11 0.83 0.00 -1.19 -5.03 105.19 105.67 2bv3 n GLY 633 Ca -0.18 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.74 2bv3 n GLY 633 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bv3 s MET 634 N -2.04 0.54 -0.07 1.61 1.75 -1.26 -2.74 119.30 117.09 2bv3 s MET 634 Ca 0.12 0.56 0.05 0.00 -1.25 0.00 0.00 55.69 55.16 2bv3 s MET 634 Cb -0.02 0.20 -0.01 0.00 2.84 0.00 0.00 34.83 37.84 2bv3 s MET 634 CO 0.05 -0.98 -0.21 -1.83 -0.65 0.00 0.00 175.02 171.40 2bv3 s GLU 635 N 2.79 2.68 0.58 4.11 1.03 -1.01 -4.94 118.70 123.94 2bv3 s GLU 635 Ca 0.11 -0.83 -0.18 0.00 0.03 0.00 0.00 54.97 54.11 2bv3 s GLU 635 Cb -0.11 -2.29 -0.04 0.00 -0.80 0.00 0.00 34.13 30.89 2bv3 s GLU 635 CO -0.26 0.40 1.09 -1.25 -1.33 0.00 0.00 175.26 173.92 2bv3 s PRO 636 N -0.20 3.28 -0.33 -4.83 0.04 -1.26 -2.32 135.00 129.38 2bv3 s PRO 636 Ca -0.02 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2bv3 s PRO 636 Cb -0.13 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.52 2bv3 s PRO 636 CO 0.03 -0.87 0.21 1.03 0.04 0.00 0.00 177.00 177.44 2bv3 s ARG 637 N -3.68 0.42 3.82 4.56 0.52 -0.62 -4.87 118.95 119.11 2bv3 s ARG 637 Ca 0.68 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2bv3 s ARG 637 Cb -0.20 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.16 2bv3 s ARG 637 CO 0.32 -1.13 0.00 0.41 0.02 0.00 0.00 175.30 174.92 2bv3 n GLY 638 N 4.59 0.62 0.86 -3.53 0.00 -1.26 -2.80 105.19 103.66 2bv3 n GLY 638 Ca 0.05 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 2bv3 n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bv3 n ASN 639 N -0.42 2.15 -4.73 1.61 0.23 -1.26 -4.81 115.26 108.04 2bv3 n ASN 639 Ca 0.00 -2.16 -0.23 0.00 -0.53 0.00 0.00 54.58 51.66 2bv3 n ASN 639 Cb 0.00 -0.53 -0.06 0.00 -2.08 0.00 0.00 39.78 37.10 2bv3 n ASN 639 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bv3 s ALA 640 N -0.97 3.48 -0.04 -2.53 0.00 -1.12 -4.50 121.76 116.08 2bv3 s ALA 640 Ca 0.08 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 50.28 2bv3 s ALA 640 Cb 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2bv3 s ALA 640 CO 0.02 0.05 -0.23 -0.65 0.00 0.00 0.00 175.76 174.95 2bv3 s GLN 641 N -3.84 2.12 -0.34 0.00 -1.52 -0.08 -1.59 119.66 114.42 2bv3 s GLN 641 Ca 0.37 -0.82 -0.11 0.00 -1.95 0.00 0.00 55.36 52.86 2bv3 s GLN 641 Cb -0.03 -1.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.87 2bv3 s GLN 641 CO 0.22 0.40 0.19 0.08 -0.25 0.00 0.00 175.29 175.94 2bv3 s VAL 642 N -0.28 4.70 -0.38 1.09 1.01 -0.98 -0.51 120.40 125.04 2bv3 s VAL 642 Ca 0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2bv3 s VAL 642 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2bv3 s VAL 642 CO 0.01 -0.07 0.38 -0.63 0.00 0.00 0.00 175.10 174.80 2bv3 s ILE 643 N 1.61 5.15 0.14 2.22 1.01 0.53 -2.39 121.20 129.47 2bv3 s ILE 643 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2bv3 s ILE 643 Cb -0.18 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 2bv3 s ILE 643 CO 0.07 -0.24 0.66 -0.13 0.00 0.00 0.00 174.94 175.30 2bv3 s ARG 644 N 2.01 4.30 0.02 2.79 0.52 -1.11 -1.42 118.95 126.07 2bv3 s ARG 644 Ca 0.11 0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 55.97 2bv3 s ARG 644 Cb -0.17 -3.15 0.05 0.00 0.52 0.00 0.00 34.95 32.20 2bv3 s ARG 644 CO 0.12 0.56 0.49 0.00 0.02 0.00 0.00 175.30 176.48 2bv3 s ALA 645 N -1.24 -1.24 0.12 2.13 0.00 0.23 -1.61 121.76 120.16 2bv3 s ALA 645 Ca 0.35 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 2bv3 s ALA 645 Cb -0.20 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 23.11 2bv3 s ALA 645 CO 0.22 -0.43 0.63 -0.06 0.00 0.00 0.00 175.76 176.11 2bv3 s PHE 646 N -2.06 3.79 -0.23 0.00 0.08 -0.94 0.12 117.98 118.72 2bv3 s PHE 646 Ca -0.08 1.34 -0.21 0.00 0.12 0.00 0.00 56.93 58.10 2bv3 s PHE 646 Cb -0.01 -2.55 0.06 0.00 -0.57 0.00 0.00 43.02 39.95 2bv3 s PHE 646 CO 0.01 0.53 0.62 0.54 -0.10 0.00 0.00 175.22 176.81 2bv3 s VAL 647 N -1.21 -0.00 0.32 -0.44 0.11 -0.73 -1.86 120.40 116.59 2bv3 s VAL 647 Ca 0.33 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.09 2bv3 s VAL 647 Cb -0.19 -0.86 -0.12 0.00 -1.53 0.00 0.00 36.38 33.67 2bv3 s VAL 647 CO 0.21 0.00 1.38 -2.65 -3.33 0.00 0.00 175.10 170.71 2bv3 n PRO 648 N 2.82 2.28 0.27 1.54 -0.02 -1.26 -0.55 135.00 140.07 2bv3 n PRO 648 Ca -0.14 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 2bv3 n PRO 648 Cb 0.56 -2.45 0.70 0.00 -0.02 0.00 0.00 33.50 32.29 2bv3 n PRO 648 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bv3 h LEU 649 N 3.17 0.00 -2.13 2.45 7.12 -1.86 -1.31 115.31 122.76 2bv3 h LEU 649 Ca -0.47 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.53 2bv3 h LEU 649 Cb 1.27 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 2bv3 h LEU 649 CO 0.67 0.03 -0.06 0.00 -0.13 0.00 0.00 178.44 178.95 2bv3 h ALA 650 N 1.97 1.17 -0.19 1.25 0.00 -1.91 -2.83 119.26 118.71 2bv3 h ALA 650 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bv3 h ALA 650 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bv3 h ALA 650 CO 0.00 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.72 2bv3 n GLU 651 N -3.40 2.18 0.00 0.00 -0.58 -0.50 -4.41 120.64 113.94 2bv3 n GLU 651 Ca -0.02 -1.98 0.11 0.00 -0.42 0.00 0.00 57.16 54.85 2bv3 n GLU 651 Cb 0.20 -1.44 0.06 0.00 -0.57 0.00 0.00 31.44 29.69 2bv3 n GLU 651 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2bv3 n MET 652 N 1.28 1.90 -1.81 3.49 2.81 -1.07 -4.87 117.12 118.85 2bv3 n MET 652 Ca 0.15 -1.58 -0.42 0.00 -1.81 0.00 0.00 57.70 54.04 2bv3 n MET 652 Cb 0.55 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.58 2bv3 n MET 652 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2bv3 s PHE 653 N -2.09 2.01 -1.40 2.03 0.08 -1.26 -2.14 117.98 115.21 2bv3 s PHE 653 Ca 0.24 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.31 2bv3 s PHE 653 Cb 0.19 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 2bv3 s PHE 653 CO 0.38 -4.57 0.00 0.41 -0.10 0.00 0.00 175.22 171.34 2bv3 n GLY 654 N 4.21 0.33 0.20 4.36 0.00 -1.26 -4.92 105.19 108.11 2bv3 n GLY 654 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2bv3 n GLY 654 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bv3 h TYR 655 N 0.00 0.31 -0.84 1.61 3.20 -1.77 -3.03 116.97 116.45 2bv3 h TYR 655 Ca -0.34 -0.08 0.18 0.00 3.14 0.00 0.00 58.73 61.62 2bv3 h TYR 655 Cb 1.18 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 2bv3 h TYR 655 CO 0.41 0.64 0.56 0.00 -1.64 0.00 0.00 178.16 178.13 2bv3 h ALA 656 N 1.35 2.17 0.20 1.82 0.00 -1.91 -1.61 119.26 121.28 2bv3 h ALA 656 Ca 0.02 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 2bv3 h ALA 656 Cb 0.83 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2bv3 h ALA 656 CO 0.07 -0.42 -1.39 1.15 0.00 0.00 0.00 179.25 178.66 2bv3 h THR 657 N 0.41 1.37 -0.26 0.00 2.02 -1.94 -2.95 112.91 111.56 2bv3 h THR 657 Ca 0.43 -2.86 -0.18 0.00 0.77 0.00 0.00 66.41 64.57 2bv3 h THR 657 Cb 1.03 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 2bv3 h THR 657 CO -0.15 0.85 -0.56 0.44 0.37 0.00 0.00 175.52 176.47 2bv3 h ASP 658 N 0.12 0.93 -0.39 4.18 3.45 -1.48 -2.19 116.42 121.04 2bv3 h ASP 658 Ca -0.21 -0.55 0.01 0.00 0.43 0.00 0.00 57.03 56.71 2bv3 h ASP 658 Cb 2.09 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 40.57 2bv3 h ASP 658 CO 0.25 1.31 0.25 0.25 -1.57 0.00 0.00 179.24 179.73 2bv3 h LEU 659 N 0.59 0.43 -1.49 1.55 6.46 -1.43 -1.65 115.31 119.77 2bv3 h LEU 659 Ca 0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2bv3 h LEU 659 Cb 1.17 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 2bv3 h LEU 659 CO 0.12 0.31 -0.19 0.03 -0.62 0.00 0.00 178.44 178.10 2bv3 h ARG 660 N 0.52 0.00 0.00 1.25 3.08 -1.48 -2.59 114.38 115.16 2bv3 h ARG 660 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2bv3 h ARG 660 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2bv3 h ARG 660 CO -0.04 0.19 -0.39 0.77 -1.07 0.00 0.00 179.97 179.42 2bv3 h SER 661 N 0.00 0.00 -0.54 7.04 0.02 -1.00 0.18 113.55 119.25 2bv3 h SER 661 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2bv3 h SER 661 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2bv3 h SER 661 CO 0.02 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 176.01 2bv3 n LYS 662 N -2.80 2.96 0.00 3.45 5.02 -0.66 -4.48 118.16 121.66 2bv3 n LYS 662 Ca 0.03 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 2bv3 n LYS 662 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2bv3 n LYS 662 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2bv3 n THR 663 N 0.99 0.00 -2.31 -0.18 5.66 -1.00 -4.73 114.28 112.70 2bv3 n THR 663 Ca 0.19 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.02 2bv3 n THR 663 Cb 0.60 1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 70.43 2bv3 n THR 663 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bv3 n GLN 664 N 0.00 -1.83 -0.65 1.09 1.13 -1.12 -2.99 117.38 113.01 2bv3 n GLN 664 Ca 0.00 0.88 0.00 0.00 -1.94 0.00 0.00 57.00 55.94 2bv3 n GLN 664 Cb 0.32 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.18 2bv3 n GLN 664 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bv3 n GLY 665 N -0.87 0.82 0.00 1.08 0.00 0.63 -4.91 105.19 101.94 2bv3 n GLY 665 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.92 2bv3 n GLY 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bv3 n ARG 666 N -2.02 0.02 -3.70 1.61 1.74 -1.16 -4.48 116.66 108.66 2bv3 n ARG 666 Ca 0.00 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 2bv3 n ARG 666 Cb 0.00 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 2bv3 n ARG 666 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bv3 s GLY 667 N -3.05 2.13 0.22 -0.13 0.00 -1.26 -4.66 107.32 100.57 2bv3 s GLY 667 Ca 0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 2bv3 s GLY 667 CO 0.78 -0.59 0.25 -1.35 0.00 0.00 0.00 173.10 172.19 2bv3 s SER 668 N -2.61 0.07 0.02 1.64 1.04 -0.89 -4.67 113.70 108.30 2bv3 s SER 668 Ca 0.40 -1.23 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 2bv3 s SER 668 Cb -0.12 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2bv3 s SER 668 CO 0.26 -0.94 0.08 0.72 0.98 0.00 0.00 173.24 174.34 2bv3 s PHE 669 N -4.11 0.15 0.20 5.02 -0.71 -1.26 -0.87 117.98 116.40 2bv3 s PHE 669 Ca 0.33 -0.37 0.11 0.00 -1.04 0.00 0.00 56.93 55.96 2bv3 s PHE 669 Cb 0.04 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2bv3 s PHE 669 CO 0.11 -0.30 -0.21 0.14 -1.34 0.00 0.00 175.22 173.62 2bv3 s VAL 670 N -1.88 2.20 -0.00 -2.49 -7.23 -0.28 -4.99 120.40 105.73 2bv3 s VAL 670 Ca -0.11 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 57.97 2bv3 s VAL 670 Cb -0.06 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 2bv3 s VAL 670 CO -0.01 -0.24 0.03 -0.32 -0.31 0.00 0.00 175.10 174.26 2bv3 s MET 671 N -2.87 0.17 -0.11 4.82 0.00 -1.26 -0.89 119.30 119.15 2bv3 s MET 671 Ca 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 55.69 55.66 2bv3 s MET 671 Cb -0.07 0.07 0.04 0.00 0.00 0.00 0.00 34.83 34.87 2bv3 s MET 671 CO 0.10 -0.03 0.27 -0.06 0.00 0.00 0.00 175.02 175.30 2bv3 s PHE 672 N -0.53 -0.35 0.20 4.11 0.08 -0.34 -4.87 117.98 116.28 2bv3 s PHE 672 Ca -0.06 0.82 -0.32 0.00 0.12 0.00 0.00 56.93 57.50 2bv3 s PHE 672 Cb -0.04 0.09 -0.11 0.00 -0.57 0.00 0.00 43.02 42.39 2bv3 s PHE 672 CO -0.00 -0.21 1.66 0.12 -0.10 0.00 0.00 175.22 176.69 2bv3 s PHE 673 N 0.87 2.95 0.00 0.36 5.36 -1.26 0.22 117.98 126.48 2bv3 s PHE 673 Ca -0.06 0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 56.33 2bv3 s PHE 673 Cb -0.07 -4.07 -0.02 0.00 -0.34 0.00 0.00 43.02 38.53 2bv3 s PHE 673 CO -0.06 -3.97 -0.10 -3.47 -1.46 0.00 0.00 175.22 166.17 2bv3 n ASP 674 N 3.82 1.09 -3.60 6.13 -0.08 -0.79 -4.81 116.55 118.31 2bv3 n ASP 674 Ca 0.15 0.16 -0.12 0.00 -1.51 0.00 0.00 54.79 53.47 2bv3 n ASP 674 Cb 0.36 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.36 2bv3 n ASP 674 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2bv3 s HIS 675 N -2.02 -0.31 0.14 -0.67 -3.43 -1.09 -5.00 115.29 102.91 2bv3 s HIS 675 Ca -0.08 0.16 -0.26 0.00 -0.80 0.00 0.00 55.06 54.07 2bv3 s HIS 675 Cb 0.01 0.30 -0.07 0.00 -1.43 0.00 0.00 32.58 31.39 2bv3 s HIS 675 CO 0.12 -0.67 0.81 0.71 -2.00 0.00 0.00 174.74 173.71 2bv3 s TYR 676 N -3.14 3.87 0.06 0.38 2.02 -1.26 0.87 117.35 120.15 2bv3 s TYR 676 Ca -0.01 1.65 -0.07 0.00 -0.37 0.00 0.00 57.07 58.27 2bv3 s TYR 676 Cb 0.00 -2.83 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 2bv3 s TYR 676 CO -0.07 0.43 0.14 -1.14 -1.57 0.00 0.00 175.55 173.33 2bv3 s GLN 677 N -0.80 0.71 0.48 -0.62 0.74 0.15 -4.91 119.66 115.41 2bv3 s GLN 677 Ca 0.38 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.71 2bv3 s GLN 677 Cb -0.23 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.09 2bv3 s GLN 677 CO 0.27 -0.20 1.12 -1.21 -0.55 0.00 0.00 175.29 174.71 2bv3 s GLU 678 N -3.25 3.72 0.39 1.67 2.02 -1.26 0.18 118.70 122.17 2bv3 s GLU 678 Ca 0.00 1.62 -0.23 0.00 0.02 0.00 0.00 54.97 56.39 2bv3 s GLU 678 Cb 0.02 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.89 2bv3 s GLU 678 CO -0.08 -0.55 0.97 0.14 0.02 0.00 0.00 175.26 175.76 2bv3 s VAL 679 N -1.69 4.18 0.75 2.63 -7.23 -0.89 -4.81 120.40 113.34 2bv3 s VAL 679 Ca 0.66 1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 62.27 2bv3 s VAL 679 Cb -0.24 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.00 2bv3 s VAL 679 CO 0.29 -0.11 1.08 -2.16 -0.31 0.00 0.00 175.10 173.89 2bv3 s PRO 680 N -2.69 2.44 0.24 4.82 0.04 -1.26 -4.79 135.00 133.80 2bv3 s PRO 680 Ca 0.58 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 2bv3 s PRO 680 Cb -0.15 -1.93 0.33 0.00 0.04 0.00 0.00 34.50 32.79 2bv3 s PRO 680 CO 0.19 -1.47 1.58 0.87 0.04 0.00 0.00 177.00 178.21 2bv3 h LYS 681 N -1.00 -0.02 -0.46 4.56 6.56 -2.00 -0.81 116.57 123.41 2bv3 h LYS 681 Ca -0.44 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.24 2bv3 h LYS 681 Cb 1.23 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.80 2bv3 h LYS 681 CO 0.54 -0.01 -0.30 -0.56 -2.06 0.00 0.00 179.45 177.06 2bv3 h GLN 682 N -0.02 -0.20 -0.58 3.15 3.07 -2.00 -1.36 115.11 117.17 2bv3 h GLN 682 Ca 0.39 0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.09 2bv3 h GLN 682 Cb 0.62 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.20 2bv3 h GLN 682 CO -0.90 -0.13 0.17 0.28 0.09 0.00 0.00 178.83 178.34 2bv3 h VAL 683 N -0.20 1.23 0.04 1.86 2.07 -1.51 -1.80 116.25 117.93 2bv3 h VAL 683 Ca 0.20 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2bv3 h VAL 683 Cb 0.53 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2bv3 h VAL 683 CO -0.57 0.30 -0.02 -0.61 0.02 0.00 0.00 177.57 176.69 2bv3 h GLN 684 N 0.85 -0.05 -0.43 1.57 4.15 -1.01 0.26 115.11 120.46 2bv3 h GLN 684 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.69 2bv3 h GLN 684 Cb 0.26 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 2bv3 h GLN 684 CO -0.01 0.32 0.08 1.49 -1.93 0.00 0.00 178.83 178.79 2bv3 h GLU 685 N -0.42 0.20 -0.17 1.69 4.81 -1.21 -2.35 114.58 117.13 2bv3 h GLU 685 Ca -0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2bv3 h GLU 685 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2bv3 h GLU 685 CO 0.01 0.13 -0.37 0.87 -0.73 0.00 0.00 179.01 178.92 2bv3 h LYS 686 N 0.21 0.36 -1.98 1.92 1.57 -1.27 -3.27 116.57 114.12 2bv3 h LYS 686 Ca 0.21 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2bv3 h LYS 686 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2bv3 h LYS 686 CO -0.28 0.68 0.00 1.28 -0.57 0.00 0.00 179.45 180.56 2bv3 n LEU 687 N -4.05 0.91 0.00 2.94 4.77 0.90 -5.08 117.00 117.39 2bv3 n LEU 687 Ca -0.01 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2bv3 n LEU 687 Cb 0.47 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2bv3 n LEU 687 CO 0.42 0.17 0.00 -0.38 -1.33 0.00 0.00 177.39 176.27