#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ubp s LYS 2 N 0.00 1.25 -0.11 2.12 1.02 -1.26 -5.14 119.74 117.62 4ubp s LYS 2 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.71 4ubp s LYS 2 Cb 0.00 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.77 4ubp s LYS 2 CO 0.00 0.35 -0.17 0.42 -0.92 0.00 0.00 175.35 175.03 4ubp s ILE 3 N -1.38 2.75 0.77 2.17 1.01 -1.26 -5.12 121.20 120.15 4ubp s ILE 3 Ca 0.11 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 4ubp s ILE 3 Cb -0.09 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.32 4ubp s ILE 3 CO 0.06 0.54 1.09 0.54 0.00 0.00 0.00 174.94 177.16 4ubp s ASN 4 N 0.27 4.52 0.38 3.58 2.20 -1.26 -4.78 114.94 119.85 4ubp s ASN 4 Ca -0.12 1.76 0.09 0.00 -0.94 0.00 0.00 52.86 53.65 4ubp s ASN 4 Cb -0.16 -2.48 0.77 0.00 -2.00 0.00 0.00 41.25 37.38 4ubp s ASN 4 CO 0.06 -2.02 1.92 0.03 -2.94 0.00 0.00 177.10 174.16 4ubp h ARG 5 N -1.12 0.29 0.11 3.55 2.47 -1.99 -0.87 114.38 116.81 4ubp h ARG 5 Ca -0.44 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.21 4ubp h ARG 5 Cb 1.23 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 4ubp h ARG 5 CO 0.52 0.39 -0.05 0.37 0.56 0.00 0.00 179.97 181.76 4ubp h GLN 6 N 0.28 -0.14 -0.70 0.04 5.75 -1.99 1.00 115.11 119.34 4ubp h GLN 6 Ca 0.06 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 4ubp h GLN 6 Cb 0.33 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 4ubp h GLN 6 CO 0.02 -0.08 0.25 1.96 -2.65 0.00 0.00 178.83 178.33 4ubp h GLN 7 N -0.16 1.07 0.20 1.69 4.20 -1.89 -0.57 115.11 119.65 4ubp h GLN 7 Ca -0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 4ubp h GLN 7 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 4ubp h GLN 7 CO 0.02 0.91 -0.16 -0.92 -0.67 0.00 0.00 178.83 178.01 4ubp h TYR 8 N 1.02 -0.42 -0.44 2.96 5.03 -0.88 -1.63 116.97 122.60 4ubp h TYR 8 Ca 0.23 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 4ubp h TYR 8 Cb 0.26 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 4ubp h TYR 8 CO 0.02 -0.25 0.08 0.00 -1.32 0.00 0.00 178.16 176.69 4ubp h ALA 9 N 0.39 1.32 -0.87 1.82 0.00 -0.55 -0.31 119.26 121.06 4ubp h ALA 9 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 4ubp h ALA 9 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 4ubp h ALA 9 CO -0.01 0.48 0.48 0.93 0.00 0.00 0.00 179.25 181.12 4ubp h GLU 10 N 0.64 1.22 0.17 0.00 5.08 -0.64 -0.46 114.58 120.60 4ubp h GLU 10 Ca 0.14 -0.14 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 4ubp h GLU 10 Cb 0.29 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.31 4ubp h GLU 10 CO 0.00 0.90 -1.48 0.77 -1.00 0.00 0.00 179.01 178.19 4ubp h SER 11 N 1.22 0.57 0.00 1.42 0.02 -0.78 -3.41 113.55 112.59 4ubp h SER 11 Ca 0.31 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 4ubp h SER 11 Cb 0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.39 4ubp h SER 11 CO -0.05 1.56 0.00 -1.22 -1.14 0.00 0.00 176.83 175.98 4ubp n TYR 12 N -3.57 0.00 0.00 3.45 4.01 -0.18 -4.96 117.16 115.91 4ubp n TYR 12 Ca -0.16 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 4ubp n TYR 12 Cb 1.06 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 4ubp n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4ubp n GLY 13 N -0.11 -1.03 3.73 2.72 0.00 -0.18 -4.48 105.19 105.84 4ubp n GLY 13 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 4ubp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 4ubp s PRO 14 N -2.08 1.76 0.21 1.61 0.04 -1.26 -4.12 135.00 131.17 4ubp s PRO 14 Ca 0.00 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.34 4ubp s PRO 14 Cb 0.00 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 4ubp s PRO 14 CO 0.00 -2.03 0.09 -2.37 0.04 0.00 0.00 177.00 172.73 4ubp n THR 15 N -3.80 0.00 -1.62 1.26 5.66 -1.26 -4.90 114.28 109.63 4ubp n THR 15 Ca 0.10 -1.28 -0.50 0.00 -3.05 0.00 0.00 64.05 59.32 4ubp n THR 15 Cb 0.53 0.48 -0.05 0.00 -1.55 0.00 0.00 70.33 69.73 4ubp n THR 15 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 4ubp n VAL 16 N -0.47 0.02 0.00 1.08 0.31 -1.26 -1.13 118.33 116.87 4ubp n VAL 16 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 4ubp n VAL 16 Cb 0.33 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 4ubp n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4ubp n GLY 17 N 2.89 3.19 3.77 2.92 0.00 -0.65 -4.98 105.19 112.34 4ubp n GLY 17 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 4ubp n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4ubp s ASP 18 N -0.83 5.86 0.19 1.61 1.01 -0.29 -4.75 116.67 119.48 4ubp s ASP 18 Ca 0.00 2.18 0.11 0.00 0.71 0.00 0.00 52.55 55.55 4ubp s ASP 18 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 4ubp s ASP 18 CO 0.00 -1.13 -0.21 -1.61 0.21 0.00 0.00 175.17 172.44 4ubp s GLU 19 N -3.16 1.64 -0.03 8.23 2.02 -1.26 -1.20 118.70 124.94 4ubp s GLU 19 Ca 0.71 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 54.24 4ubp s GLU 19 Cb -0.24 -1.92 0.02 0.00 0.10 0.00 0.00 34.13 32.09 4ubp s GLU 19 CO 0.28 0.41 -0.04 0.08 0.02 0.00 0.00 175.26 176.00 4ubp s VAL 20 N -1.69 0.48 0.18 2.63 1.01 0.36 -4.95 120.40 118.41 4ubp s VAL 20 Ca 0.22 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 4ubp s VAL 20 Cb -0.08 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 4ubp s VAL 20 CO 0.11 0.20 1.04 -0.60 0.00 0.00 0.00 175.10 175.85 4ubp s ARG 21 N 0.69 4.66 -0.45 2.72 3.52 -1.26 -1.68 118.95 127.16 4ubp s ARG 21 Ca -0.09 1.63 -0.25 0.00 -0.13 0.00 0.00 55.73 56.89 4ubp s ARG 21 Cb -0.12 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 4ubp s ARG 21 CO -0.00 0.19 0.88 -0.51 -0.81 0.00 0.00 175.30 175.05 4ubp s LEU 22 N -0.49 4.07 0.00 -0.88 1.43 -0.24 -4.73 118.68 117.84 4ubp s LEU 22 Ca 0.47 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 4ubp s LEU 22 Cb -0.28 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.81 4ubp s LEU 22 CO 0.34 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.93 4ubp n ALA 23 N 6.99 0.00 -1.01 4.21 0.00 -0.40 -1.39 120.51 128.91 4ubp n ALA 23 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 4ubp n ALA 23 Cb 0.48 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.24 4ubp n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 4ubp n ASP 24 N 1.94 4.54 -3.98 0.00 5.75 -1.26 -4.83 116.55 118.71 4ubp n ASP 24 Ca 0.00 -3.09 -0.30 0.00 -0.01 0.00 0.00 54.79 51.39 4ubp n ASP 24 Cb 0.00 -0.63 0.21 0.00 -1.03 0.00 0.00 41.12 39.66 4ubp n ASP 24 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 4ubp s THR 25 N -2.88 1.96 -0.84 2.12 -4.23 -0.49 -4.79 115.64 106.49 4ubp s THR 25 Ca 0.49 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.16 4ubp s THR 25 Cb 0.39 -2.96 0.74 0.00 1.34 0.00 0.00 72.50 72.01 4ubp s THR 25 CO 0.11 0.00 1.64 -0.67 -0.54 0.00 0.00 174.62 175.16 4ubp n ASP 26 N -3.92 4.98 -4.73 3.99 2.03 -1.26 -4.66 116.55 112.97 4ubp n ASP 26 Ca 0.16 -2.60 -0.39 0.00 0.52 0.00 0.00 54.79 52.48 4ubp n ASP 26 Cb 0.59 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.32 4ubp n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 4ubp s LEU 27 N -2.11 4.33 -0.11 -2.67 1.43 -1.26 -5.01 118.68 113.29 4ubp s LEU 27 Ca 0.51 1.05 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 4ubp s LEU 27 Cb 0.35 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.67 4ubp s LEU 27 CO 0.21 -0.01 -0.23 0.26 0.23 0.00 0.00 176.35 176.80 4ubp s TRP 28 N 0.45 2.55 0.02 0.29 0.52 -1.26 -1.08 118.94 120.42 4ubp s TRP 28 Ca 0.32 -1.09 0.01 0.00 0.02 0.00 0.00 56.10 55.36 4ubp s TRP 28 Cb -0.17 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 4ubp s TRP 28 CO 0.15 -0.45 0.03 0.96 0.02 0.00 0.00 176.95 177.66 4ubp s ILE 29 N 0.43 4.35 -0.06 2.03 -4.36 -0.67 -0.38 121.20 122.54 4ubp s ILE 29 Ca -0.17 -0.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.67 4ubp s ILE 29 Cb -0.18 -2.99 -0.01 0.00 1.25 0.00 0.00 42.46 40.54 4ubp s ILE 29 CO 0.07 0.31 -0.23 -0.70 0.24 0.00 0.00 174.94 174.64 4ubp s GLU 30 N -1.78 2.57 -0.22 0.37 2.12 -1.26 -0.49 118.70 120.01 4ubp s GLU 30 Ca 0.22 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 4ubp s GLU 30 Cb -0.12 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 4ubp s GLU 30 CO 0.13 0.42 1.74 0.08 -0.54 0.00 0.00 175.26 177.10 4ubp s VAL 31 N -0.25 3.53 0.11 3.70 1.01 -0.34 -4.77 120.40 123.38 4ubp s VAL 31 Ca -0.00 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 4ubp s VAL 31 Cb -0.13 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 4ubp s VAL 31 CO 0.03 -0.26 1.23 -0.33 0.00 0.00 0.00 175.10 175.77 4ubp h GLU 32 N 11.55 0.30 -3.06 2.72 5.08 -1.15 -1.73 114.58 128.28 4ubp h GLU 32 Ca -0.36 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 57.63 4ubp h GLU 32 Cb 1.17 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 4ubp h GLU 32 CO 1.00 1.14 0.19 -1.59 -1.00 0.00 0.00 179.01 178.75 4ubp s LYS 33 N -2.92 1.66 -0.12 2.33 -2.85 -1.26 -4.86 119.74 111.71 4ubp s LYS 33 Ca -0.04 -0.91 -0.06 0.00 -1.00 0.00 0.00 55.97 53.96 4ubp s LYS 33 Cb 0.08 0.59 0.05 0.00 -2.06 0.00 0.00 37.83 36.49 4ubp s LYS 33 CO 0.87 -0.75 0.27 0.34 0.10 0.00 0.00 175.35 176.18 4ubp s ASP 34 N -2.89 -0.17 0.00 0.03 -1.08 -1.26 -1.35 116.67 109.95 4ubp s ASP 34 Ca 0.10 0.59 0.30 0.00 -0.52 0.00 0.00 52.55 53.02 4ubp s ASP 34 Cb -0.04 0.53 1.43 0.00 -1.46 0.00 0.00 42.92 43.38 4ubp s ASP 34 CO 0.03 -0.19 1.97 -1.22 0.52 0.00 0.00 175.17 176.28 4ubp n TYR 35 N 4.48 0.00 -1.38 -5.34 4.02 -0.52 -4.93 117.16 113.48 4ubp n TYR 35 Ca -0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.39 4ubp n TYR 35 Cb 0.52 -0.07 0.19 0.00 -0.02 0.00 0.00 39.34 39.96 4ubp n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 4ubp s THR 36 N -2.18 1.87 -0.29 -0.72 -1.32 -1.26 -4.54 115.64 107.21 4ubp s THR 36 Ca 0.38 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.86 4ubp s THR 36 Cb 0.21 -2.65 0.05 0.00 -1.51 0.00 0.00 72.50 68.60 4ubp s THR 36 CO 0.40 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.88 4ubp s THR 37 N -3.23 2.70 0.10 5.08 2.01 -1.26 -5.08 115.64 115.96 4ubp s THR 37 Ca 0.68 -1.48 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 4ubp s THR 37 Cb -0.12 -2.57 -0.10 0.00 0.01 0.00 0.00 72.50 69.72 4ubp s THR 37 CO 0.55 -0.09 1.87 -1.22 -0.69 0.00 0.00 174.62 175.04 4ubp n TYR 38 N 4.55 2.58 0.00 4.92 4.01 -1.26 -0.69 117.16 131.28 4ubp n TYR 38 Ca -0.13 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 4ubp n TYR 38 Cb 0.43 -2.74 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 4ubp n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4ubp n GLY 39 N 4.30 2.56 0.50 2.72 0.00 -1.26 -4.91 105.19 109.10 4ubp n GLY 39 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 4ubp n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4ubp n ASP 40 N 0.00 2.24 -4.70 1.61 8.00 0.14 -5.03 116.55 118.80 4ubp n ASP 40 Ca 0.00 -3.51 -0.43 0.00 0.71 0.00 0.00 54.79 51.56 4ubp n ASP 40 Cb 0.00 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.58 4ubp n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 4ubp n GLU 41 N -1.19 2.16 -2.96 -1.24 4.71 -1.23 -4.81 120.64 116.09 4ubp n GLU 41 Ca 0.20 0.76 -0.37 0.00 -0.01 0.00 0.00 57.16 57.74 4ubp n GLU 41 Cb 0.73 -2.38 -0.06 0.00 -1.01 0.00 0.00 31.44 28.72 4ubp n GLU 41 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 4ubp s VAL 42 N -0.73 4.40 0.07 2.62 1.01 -1.26 -4.86 120.40 121.64 4ubp s VAL 42 Ca 0.59 1.55 -0.26 0.00 0.00 0.00 0.00 61.98 63.86 4ubp s VAL 42 Cb -0.58 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 31.93 4ubp s VAL 42 CO 0.58 0.21 0.72 0.54 0.00 0.00 0.00 175.10 177.14 4ubp s ASN 43 N -1.59 -0.51 -0.01 3.32 2.20 -1.26 -4.73 114.94 112.36 4ubp s ASN 43 Ca 0.45 0.11 0.04 0.00 -0.94 0.00 0.00 52.86 52.52 4ubp s ASN 43 Cb -0.18 0.51 -0.01 0.00 -2.00 0.00 0.00 41.25 39.58 4ubp s ASN 43 CO 0.23 -0.79 -0.12 0.12 -2.94 0.00 0.00 177.10 173.60 4ubp s PHE 44 N -3.10 1.12 -5.00 1.54 5.36 -1.26 -1.40 117.98 115.25 4ubp s PHE 44 Ca 0.00 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 4ubp s PHE 44 Cb -0.01 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 4ubp s PHE 44 CO -0.08 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.04 4ubp n GLY 45 N 2.90 -0.00 3.70 13.12 0.00 -1.26 -4.95 105.19 118.70 4ubp n GLY 45 Ca -0.15 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 4ubp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4ubp s GLY 46 N 0.00 1.60 -0.76 -0.02 0.00 -1.26 -2.09 107.32 104.79 4ubp s GLY 46 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.97 4ubp s GLY 46 CO 0.00 2.74 0.00 0.61 0.00 0.00 0.00 173.10 176.45 4ubp n GLY 47 N 3.86 0.80 2.20 0.20 0.00 -1.26 -4.99 105.19 106.00 4ubp n GLY 47 Ca 0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 4ubp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 4ubp n LYS 48 N -1.26 0.44 0.01 1.61 5.02 -0.89 -5.03 118.16 118.07 4ubp n LYS 48 Ca -0.07 -1.63 -0.11 0.00 -2.02 0.00 0.00 58.31 54.47 4ubp n LYS 48 Cb 0.43 -0.28 0.01 0.00 -0.02 0.00 0.00 35.03 35.17 4ubp n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 4ubp h VAL 49 N -0.28 1.33 -1.60 -0.18 2.07 -1.83 -3.39 116.25 112.38 4ubp h VAL 49 Ca -0.17 -1.95 -0.74 0.00 0.82 0.00 0.00 66.70 64.65 4ubp h VAL 49 Cb 0.70 1.93 -0.15 0.00 -1.52 0.00 0.00 31.29 32.24 4ubp h VAL 49 CO 0.21 0.60 1.82 0.18 0.02 0.00 0.00 177.57 180.40 4ubp n LEU 50 N -3.91 5.99 -4.05 2.57 4.77 -0.49 -0.17 117.00 121.71 4ubp n LEU 50 Ca -0.04 -4.50 -0.16 0.00 -0.03 0.00 0.00 56.01 51.27 4ubp n LEU 50 Cb 0.67 -1.56 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 4ubp n LEU 50 CO 0.49 1.03 -0.42 -0.13 -1.33 0.00 0.00 177.39 177.03 4ubp s ARG 51 N 1.22 0.59 0.09 3.23 0.52 -1.26 -4.66 118.95 118.69 4ubp s ARG 51 Ca 0.42 -0.56 -0.35 0.00 -0.52 0.00 0.00 55.73 54.73 4ubp s ARG 51 Cb 0.04 -0.49 -0.14 0.00 0.52 0.00 0.00 34.95 34.88 4ubp s ARG 51 CO 0.00 0.12 1.60 -1.91 0.02 0.00 0.00 175.30 175.13 4ubp n GLU 52 N 2.10 1.97 -0.07 3.54 0.00 -1.26 -0.75 120.64 126.17 4ubp n GLU 52 Ca -0.18 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.69 4ubp n GLU 52 Cb 0.56 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.53 4ubp n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 4ubp n GLY 53 N 3.46 1.66 0.00 8.31 0.00 -0.32 -4.91 105.19 113.38 4ubp n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 4ubp n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 4ubp n MET 54 N -2.00 0.00 0.26 1.61 2.81 0.07 -4.93 117.12 114.95 4ubp n MET 54 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 4ubp n MET 54 Cb 0.00 0.00 0.65 0.00 -0.71 0.00 0.00 33.22 33.16 4ubp n MET 54 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 4ubp h GLY 55 N 0.00 0.00 -7.12 3.03 0.00 -0.50 -3.42 103.07 95.06 4ubp h GLY 55 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 4ubp h GLY 55 CO 0.00 0.00 -0.46 1.85 0.00 0.00 0.00 176.54 177.93 4ubp s GLU 56 N -3.77 4.06 0.19 4.80 2.12 -0.84 -2.44 118.70 122.82 4ubp s GLU 56 Ca -0.00 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 4ubp s GLU 56 Cb 0.10 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 4ubp s GLU 56 CO 0.57 0.01 1.19 1.21 -0.54 0.00 0.00 175.26 177.70 4ubp s ASN 57 N 1.16 7.10 0.00 -1.70 3.84 0.16 -1.18 114.94 124.32 4ubp s ASN 57 Ca 0.09 2.23 0.21 0.00 0.21 0.00 0.00 52.86 55.60 4ubp s ASN 57 Cb -0.14 -2.61 0.20 0.00 -0.55 0.00 0.00 41.25 38.16 4ubp s ASN 57 CO 0.06 -0.36 1.20 0.61 -2.79 0.00 0.00 177.10 175.83 4ubp n GLY 58 N 2.12 0.88 0.13 1.21 0.00 -1.26 -3.87 105.19 104.41 4ubp n GLY 58 Ca 0.04 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 4ubp n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4ubp n THR 59 N 1.22 1.54 -2.82 2.61 -1.04 -1.26 -4.99 114.28 109.55 4ubp n THR 59 Ca 0.13 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 4ubp n THR 59 Cb 0.54 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 4ubp n THR 59 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 4ubp s TYR 60 N -2.50 3.87 1.03 -1.42 2.02 -1.26 -5.06 117.35 114.04 4ubp s TYR 60 Ca -0.36 1.76 -0.13 0.00 -0.37 0.00 0.00 57.07 57.97 4ubp s TYR 60 Cb 0.12 -2.95 0.21 0.00 -0.40 0.00 0.00 41.96 38.94 4ubp s TYR 60 CO 0.55 0.34 1.10 0.95 -1.57 0.00 0.00 175.55 176.92 4ubp s THR 61 N -0.54 1.95 0.28 -0.71 -4.23 -1.26 -4.55 115.64 106.57 4ubp s THR 61 Ca 0.42 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 4ubp s THR 61 Cb -0.24 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.38 4ubp s THR 61 CO 0.29 0.00 1.90 -0.09 -0.54 0.00 0.00 174.62 176.18 4ubp h ARG 62 N -2.01 1.12 0.00 3.99 2.43 -1.97 -0.98 114.38 116.96 4ubp h ARG 62 Ca -0.54 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 4ubp h ARG 62 Cb 1.33 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 4ubp h ARG 62 CO 0.55 0.74 0.00 1.79 -1.51 0.00 0.00 179.97 181.54 4ubp h THR 63 N 1.15 0.00 -1.71 0.20 1.35 -1.92 -3.13 112.91 108.85 4ubp h THR 63 Ca 0.40 -0.41 -0.77 0.00 -0.55 0.00 0.00 66.41 65.08 4ubp h THR 63 Cb 0.12 1.32 -0.18 0.00 -1.73 0.00 0.00 68.15 67.68 4ubp h THR 63 CO -0.15 0.00 1.77 -0.62 -0.25 0.00 0.00 175.52 176.27 4ubp n GLU 64 N -2.79 3.89 -1.72 4.72 1.02 -0.37 -4.65 120.64 120.74 4ubp n GLU 64 Ca 0.01 -3.76 -0.19 0.00 -0.02 0.00 0.00 57.16 53.21 4ubp n GLU 64 Cb 0.28 -2.81 -0.06 0.00 -0.02 0.00 0.00 31.44 28.82 4ubp n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 4ubp n ASN 65 N 3.13 -5.27 -4.89 1.62 3.02 -1.26 -4.74 115.26 106.88 4ubp n ASN 65 Ca 0.38 0.36 -0.36 0.00 -0.03 0.00 0.00 54.58 54.92 4ubp n ASN 65 Cb 0.35 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.07 4ubp n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 4ubp s VAL 66 N -2.74 5.49 0.37 2.41 1.01 -1.18 -1.65 120.40 124.10 4ubp s VAL 66 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 4ubp s VAL 66 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 4ubp s VAL 66 CO 0.00 0.55 0.74 -0.76 0.00 0.00 0.00 175.10 175.63 4ubp s LEU 67 N -1.24 3.90 0.14 3.92 1.43 -0.29 -4.80 118.68 121.74 4ubp s LEU 67 Ca 0.18 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.46 4ubp s LEU 67 Cb -0.12 -3.97 -0.13 0.00 0.03 0.00 0.00 46.19 42.00 4ubp s LEU 67 CO 0.08 -0.34 1.33 0.44 0.23 0.00 0.00 176.35 178.09 4ubp h ASP 68 N 1.51 0.00 -3.85 2.29 3.32 -1.32 -3.16 116.42 115.21 4ubp h ASP 68 Ca -0.47 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 4ubp h ASP 68 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 4ubp h ASP 68 CO 0.64 0.95 -0.19 -0.22 -1.72 0.00 0.00 179.24 178.70 4ubp s LEU 69 N -6.84 0.24 -0.11 1.55 2.96 -0.85 -0.84 118.68 114.80 4ubp s LEU 69 Ca 0.01 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 4ubp s LEU 69 Cb 0.10 1.54 0.02 0.00 0.50 0.00 0.00 46.19 48.36 4ubp s LEU 69 CO 0.81 -0.16 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.34 4ubp s LEU 70 N 0.32 1.53 -0.38 -0.68 2.96 -0.21 -0.92 118.68 121.30 4ubp s LEU 70 Ca -0.01 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 4ubp s LEU 70 Cb -0.03 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.68 4ubp s LEU 70 CO -0.00 -0.04 0.61 -0.76 -1.32 0.00 0.00 176.35 174.84 4ubp s LEU 71 N 1.28 4.36 0.13 -0.68 1.02 0.29 -1.25 118.68 123.82 4ubp s LEU 71 Ca -0.02 -0.05 -0.23 0.00 0.02 0.00 0.00 54.13 53.85 4ubp s LEU 71 Cb -0.14 -2.72 -0.07 0.00 0.02 0.00 0.00 46.19 43.27 4ubp s LEU 71 CO -0.05 -0.63 0.71 0.42 0.02 0.00 0.00 176.35 176.81 4ubp s THR 72 N 2.68 4.52 -1.30 5.49 -4.23 -0.15 -1.02 115.64 121.62 4ubp s THR 72 Ca 0.23 1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 62.21 4ubp s THR 72 Cb -0.15 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.64 4ubp s THR 72 CO 0.16 0.52 1.12 0.59 -0.54 0.00 0.00 174.62 176.48 4ubp n ASN 73 N 1.72 -4.98 -4.76 3.99 3.02 -1.25 -0.67 115.26 112.34 4ubp n ASN 73 Ca -0.07 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.52 4ubp n ASN 73 Cb 0.49 -5.06 -0.06 0.00 -0.61 0.00 0.00 39.78 34.55 4ubp n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4ubp s ALA 74 N -3.33 3.33 -0.68 5.41 0.00 0.28 -3.08 121.76 123.69 4ubp s ALA 74 Ca 0.40 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 4ubp s ALA 74 Cb -0.17 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 19.90 4ubp s ALA 74 CO 0.73 0.22 0.77 -1.17 0.00 0.00 0.00 175.76 176.30 4ubp s LEU 75 N -1.34 5.60 0.11 0.00 2.96 -1.05 -1.37 118.68 123.59 4ubp s LEU 75 Ca 0.42 -1.74 -0.30 0.00 -0.22 0.00 0.00 54.13 52.29 4ubp s LEU 75 Cb -0.24 -2.30 -0.06 0.00 0.50 0.00 0.00 46.19 44.09 4ubp s LEU 75 CO 0.30 -1.01 1.01 -0.63 -1.32 0.00 0.00 176.35 174.69 4ubp s ILE 76 N 2.24 4.39 -0.25 6.68 1.01 0.50 -0.60 121.20 135.17 4ubp s ILE 76 Ca 0.15 1.94 0.01 0.00 0.00 0.00 0.00 60.65 62.75 4ubp s ILE 76 Cb -0.19 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.10 4ubp s ILE 76 CO 0.01 0.27 -0.05 -0.22 0.00 0.00 0.00 174.94 174.95 4ubp s LEU 77 N 0.14 2.91 0.19 2.97 0.20 -0.66 -1.79 118.68 122.62 4ubp s LEU 77 Ca 0.49 -1.31 -0.15 0.00 0.69 0.00 0.00 54.13 53.85 4ubp s LEU 77 Cb -0.25 -1.28 0.02 0.00 -0.43 0.00 0.00 46.19 44.25 4ubp s LEU 77 CO 0.31 -0.24 0.45 -0.62 -0.29 0.00 0.00 176.35 175.96 4ubp s ASP 78 N 1.30 -0.17 0.55 3.68 2.15 -0.66 -4.47 116.67 119.05 4ubp s ASP 78 Ca -0.05 -0.60 0.25 0.00 0.43 0.00 0.00 52.55 52.58 4ubp s ASP 78 Cb -0.19 0.54 1.56 0.00 -0.30 0.00 0.00 42.92 44.52 4ubp s ASP 78 CO -0.07 -1.01 2.18 0.10 -0.17 0.00 0.00 175.17 176.20 4ubp h TYR 79 N 2.30 0.00 0.00 -5.34 -0.00 -1.91 -1.69 116.97 110.33 4ubp h TYR 79 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 4ubp h TYR 79 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 4ubp h TYR 79 CO 0.37 0.04 0.00 1.79 -0.00 0.00 0.00 178.16 180.35 4ubp h THR 80 N 0.00 0.00 0.00 -0.90 1.35 -1.95 -3.49 112.91 107.92 4ubp h THR 80 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 4ubp h THR 80 Cb 0.09 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 4ubp h THR 80 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 4ubp n GLY 81 N 0.85 2.40 3.02 5.82 0.00 -0.63 -5.06 105.19 111.59 4ubp n GLY 81 Ca 0.04 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 4ubp n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4ubp s ILE 82 N -2.00 2.15 0.22 -0.61 1.01 -1.26 -1.65 121.20 119.06 4ubp s ILE 82 Ca 0.00 -1.99 -0.19 0.00 0.00 0.00 0.00 60.65 58.47 4ubp s ILE 82 Cb 0.00 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 40.05 4ubp s ILE 82 CO 0.00 -0.36 0.61 -0.72 0.00 0.00 0.00 174.94 174.47 4ubp s TYR 83 N 1.03 -0.19 -0.17 3.97 1.13 -0.74 -0.50 117.35 121.88 4ubp s TYR 83 Ca 0.02 -0.18 -0.07 0.00 -1.41 0.00 0.00 57.07 55.44 4ubp s TYR 83 Cb -0.19 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 4ubp s TYR 83 CO -0.07 -1.03 0.06 0.21 -2.51 0.00 0.00 175.55 172.20 4ubp s LYS 84 N -3.88 3.91 0.11 -3.49 2.47 -0.46 -0.37 119.74 118.04 4ubp s LYS 84 Ca 0.09 -0.34 -0.25 0.00 -1.56 0.00 0.00 55.97 53.91 4ubp s LYS 84 Cb -0.03 -3.19 0.08 0.00 -1.46 0.00 0.00 37.83 33.23 4ubp s LYS 84 CO -0.00 0.31 0.76 0.00 0.16 0.00 0.00 175.35 176.59 4ubp s ALA 85 N 0.26 -1.65 0.27 3.13 0.00 -0.47 -1.44 121.76 121.86 4ubp s ALA 85 Ca 0.04 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 4ubp s ALA 85 Cb -0.12 0.68 -0.08 0.00 0.00 0.00 0.00 23.12 23.59 4ubp s ALA 85 CO 0.00 -0.80 0.71 -0.51 0.00 0.00 0.00 175.76 175.16 4ubp s ASP 86 N -2.69 6.87 -0.12 0.00 1.01 -0.20 -0.56 116.67 120.97 4ubp s ASP 86 Ca 0.05 1.30 0.03 0.00 0.71 0.00 0.00 52.55 54.64 4ubp s ASP 86 Cb -0.02 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.55 4ubp s ASP 86 CO -0.07 -0.10 -0.22 -0.63 0.21 0.00 0.00 175.17 174.36 4ubp s ILE 87 N -1.79 1.97 -0.13 0.77 1.01 -0.19 -1.11 121.20 121.74 4ubp s ILE 87 Ca 0.49 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 4ubp s ILE 87 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 4ubp s ILE 87 CO 0.19 0.54 -0.06 -0.83 0.00 0.00 0.00 174.94 174.77 4ubp s GLY 88 N 0.65 1.68 0.01 6.18 0.00 0.11 -0.55 107.32 115.39 4ubp s GLY 88 Ca -0.12 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 43.83 4ubp s GLY 88 CO 0.02 -0.24 -0.24 0.14 0.00 0.00 0.00 173.10 172.78 4ubp s VAL 89 N 0.07 1.93 -0.23 1.40 1.01 -0.10 -0.71 120.40 123.77 4ubp s VAL 89 Ca -0.02 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 4ubp s VAL 89 Cb -0.14 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.68 4ubp s VAL 89 CO 0.03 0.44 0.59 -0.75 0.00 0.00 0.00 175.10 175.41 4ubp s LYS 90 N -0.84 0.65 -1.68 2.72 2.20 -0.07 -1.06 119.74 121.66 4ubp s LYS 90 Ca 0.10 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 4ubp s LYS 90 Cb -0.09 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 4ubp s LYS 90 CO 0.00 -0.11 0.00 -0.25 -0.36 0.00 0.00 175.35 174.63 4ubp n ASP 91 N 3.34 -5.50 0.00 1.43 8.00 -1.26 -1.34 116.55 121.22 4ubp n ASP 91 Ca -0.17 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.39 4ubp n ASP 91 Cb 0.56 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 4ubp n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4ubp n GLY 92 N -0.93 0.81 3.46 0.44 0.00 -1.26 -5.03 105.19 102.68 4ubp n GLY 92 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 4ubp n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4ubp s TYR 93 N -3.20 2.34 -0.27 1.61 1.51 -0.45 -0.97 117.35 117.91 4ubp s TYR 93 Ca 0.00 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 4ubp s TYR 93 Cb 0.00 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 4ubp s TYR 93 CO 0.00 0.60 1.36 0.42 -1.11 0.00 0.00 175.55 176.82 4ubp s ILE 94 N -2.08 4.06 -0.17 2.71 1.01 0.50 -0.90 121.20 126.35 4ubp s ILE 94 Ca 0.26 1.21 0.13 0.00 0.00 0.00 0.00 60.65 62.24 4ubp s ILE 94 Cb -0.07 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 4ubp s ILE 94 CO 0.13 -0.41 0.35 1.33 0.00 0.00 0.00 174.94 176.34 4ubp n VAL 95 N 6.18 0.00 -3.71 2.92 0.24 0.11 -0.08 118.33 123.99 4ubp n VAL 95 Ca 0.15 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 4ubp n VAL 95 Cb 0.46 0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 4ubp n VAL 95 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 4ubp s GLY 96 N -3.15 -0.34 -0.17 7.63 0.00 -0.99 -4.80 107.32 105.50 4ubp s GLY 96 Ca -0.02 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.08 4ubp s GLY 96 CO 0.53 1.31 -0.13 -0.42 0.00 0.00 0.00 173.10 174.40 4ubp s ILE 97 N 0.64 1.59 0.00 0.90 1.01 -1.26 0.04 121.20 124.12 4ubp s ILE 97 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.86 4ubp s ILE 97 Cb -0.05 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.87 4ubp s ILE 97 CO -0.04 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.86 4ubp n GLY 98 N 4.74 -0.31 2.78 6.18 0.00 -0.27 -4.98 105.19 113.35 4ubp n GLY 98 Ca -0.16 0.40 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 4ubp n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 4ubp s LYS 99 N 0.00 0.78 0.36 1.61 2.36 -1.26 -1.04 119.74 122.56 4ubp s LYS 99 Ca 0.00 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.30 4ubp s LYS 99 Cb 0.00 -1.42 -0.03 0.00 -1.05 0.00 0.00 37.83 35.33 4ubp s LYS 99 CO 0.00 -0.40 0.58 0.20 1.55 0.00 0.00 175.35 177.28 4ubp s GLY 100 N 1.89 1.37 0.00 5.54 0.00 -1.26 -0.68 107.32 114.18 4ubp s GLY 100 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.87 4ubp s GLY 100 CO -0.06 -0.81 0.00 0.61 0.00 0.00 0.00 173.10 172.84 4ubp n GLY 101 N -1.85 0.26 2.95 0.20 0.00 -0.78 -4.64 105.19 101.33 4ubp n GLY 101 Ca -0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 4ubp n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 4ubp s ASN 102 N -4.00 2.87 0.22 1.61 2.47 -1.02 -1.30 114.94 115.79 4ubp s ASN 102 Ca 0.00 -0.64 0.21 0.00 0.42 0.00 0.00 52.86 52.85 4ubp s ASN 102 Cb 0.00 -1.05 0.92 0.00 -1.45 0.00 0.00 41.25 39.67 4ubp s ASN 102 CO 0.00 -0.14 1.65 -2.65 -3.72 0.00 0.00 177.10 172.24 4ubp n PRO 103 N 4.81 0.15 -0.04 0.43 -0.02 -1.26 -1.56 135.00 137.51 4ubp n PRO 103 Ca -0.14 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.68 4ubp n PRO 103 Cb 0.48 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 4ubp n PRO 103 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 4ubp h ASP 104 N 0.00 -0.42 0.00 2.55 3.32 -1.94 -3.37 116.42 116.55 4ubp h ASP 104 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 4ubp h ASP 104 Cb 0.31 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.08 4ubp h ASP 104 CO 0.00 -0.17 0.00 2.30 -1.72 0.00 0.00 179.24 179.65 4ubp n ILE 105 N -5.29 0.00 -4.32 0.35 -5.35 -1.01 -5.08 119.36 98.67 4ubp n ILE 105 Ca -0.01 -0.34 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 4ubp n ILE 105 Cb 0.21 1.09 -0.09 0.00 -1.74 0.00 0.00 39.64 39.10 4ubp n ILE 105 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 4ubp s MET 106 N -0.48 2.54 0.38 6.28 -1.94 -0.60 -5.09 119.30 120.39 4ubp s MET 106 Ca 0.00 -0.77 -0.10 0.00 -1.71 0.00 0.00 55.69 53.11 4ubp s MET 106 Cb 0.00 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.26 4ubp s MET 106 CO 0.00 0.58 0.74 -0.51 -0.01 0.00 0.00 175.02 175.82 4ubp s ASP 107 N -1.75 6.53 -1.39 3.03 1.01 -1.26 -4.39 116.67 118.44 4ubp s ASP 107 Ca 0.20 1.09 0.00 0.00 0.71 0.00 0.00 52.55 54.55 4ubp s ASP 107 Cb -0.11 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.51 4ubp s ASP 107 CO 0.11 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.74 4ubp n GLY 108 N -1.19 0.34 3.71 0.21 0.00 -1.26 -4.76 105.19 102.24 4ubp n GLY 108 Ca 0.02 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 4ubp n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4ubp s VAL 109 N -2.69 4.91 0.23 1.61 1.01 -1.26 -4.56 120.40 119.65 4ubp s VAL 109 Ca 0.00 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.59 4ubp s VAL 109 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 4ubp s VAL 109 CO 0.00 0.18 1.59 -0.89 0.00 0.00 0.00 175.10 175.98 4ubp s THR 110 N 1.00 2.30 0.54 3.92 2.01 0.15 -4.87 115.64 120.69 4ubp s THR 110 Ca 0.48 0.23 0.20 0.00 0.31 0.00 0.00 61.69 62.92 4ubp s THR 110 Cb -0.20 -3.15 0.30 0.00 0.01 0.00 0.00 72.50 69.46 4ubp s THR 110 CO 0.25 0.03 2.17 -0.65 -0.69 0.00 0.00 174.62 175.73 4ubp h PRO 111 N 5.90 0.00 -0.51 4.92 0.11 -1.93 -0.59 132.00 139.89 4ubp h PRO 111 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 4ubp h PRO 111 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 4ubp h PRO 111 CO 0.87 0.00 0.08 0.27 -0.21 0.00 0.00 178.00 179.00 4ubp n ASN 112 N -4.34 4.67 -2.16 -2.05 6.94 -1.26 -4.44 115.26 112.62 4ubp n ASN 112 Ca -0.03 -3.11 -0.26 0.00 -0.02 0.00 0.00 54.58 51.16 4ubp n ASN 112 Cb 0.11 -0.66 0.02 0.00 -2.36 0.00 0.00 39.78 36.89 4ubp n ASN 112 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 4ubp n MET 113 N -0.10 3.46 -2.74 -3.83 2.81 -0.23 -4.58 117.12 111.92 4ubp n MET 113 Ca 0.30 -4.12 -0.42 0.00 -1.81 0.00 0.00 57.70 51.66 4ubp n MET 113 Cb 1.16 -2.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.36 4ubp n MET 113 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 4ubp s ILE 114 N -4.80 4.86 -0.27 2.02 1.01 -0.66 -1.87 121.20 121.48 4ubp s ILE 114 Ca 0.52 2.01 -0.28 0.00 0.00 0.00 0.00 60.65 62.91 4ubp s ILE 114 Cb 0.42 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.60 4ubp s ILE 114 CO -0.02 0.18 0.99 -0.69 0.00 0.00 0.00 174.94 175.40 4ubp s VAL 115 N 0.92 4.67 0.00 2.92 1.01 -0.42 -1.14 120.40 128.36 4ubp s VAL 115 Ca 0.51 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.27 4ubp s VAL 115 Cb -0.21 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.88 4ubp s VAL 115 CO 0.27 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.73 4ubp n GLY 116 N 3.64 5.00 0.34 4.51 0.00 -1.26 0.35 105.19 117.77 4ubp n GLY 116 Ca 0.10 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.40 4ubp n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 4ubp h THR 117 N 0.59 1.00 0.00 2.61 2.02 -1.80 -2.19 112.91 115.13 4ubp h THR 117 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 4ubp h THR 117 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 4ubp h THR 117 CO 0.00 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.99 4ubp n ALA 118 N -2.48 2.65 -2.68 6.16 0.00 -1.26 -4.87 120.51 118.03 4ubp n ALA 118 Ca 0.08 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 4ubp n ALA 118 Cb 0.23 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 4ubp n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 4ubp s THR 119 N -2.00 5.37 0.38 0.00 2.01 -0.83 -4.47 115.64 116.09 4ubp s THR 119 Ca 0.40 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 4ubp s THR 119 Cb 0.18 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 4ubp s THR 119 CO 0.31 0.37 0.74 -0.70 -0.69 0.00 0.00 174.62 174.65 4ubp s GLU 120 N 0.90 3.81 -0.06 4.92 2.56 -0.02 -4.85 118.70 125.96 4ubp s GLU 120 Ca 0.08 0.47 0.04 0.00 0.00 0.00 0.00 54.97 55.55 4ubp s GLU 120 Cb -0.13 -2.42 0.00 0.00 2.00 0.00 0.00 34.13 33.58 4ubp s GLU 120 CO 0.03 0.02 -0.17 0.08 -0.56 0.00 0.00 175.26 174.66 4ubp s VAL 121 N -2.27 1.48 -0.18 3.70 1.01 -1.26 -1.04 120.40 121.84 4ubp s VAL 121 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.77 4ubp s VAL 121 Cb -0.10 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.99 4ubp s VAL 121 CO 0.29 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 175.02 4ubp s ILE 122 N 0.24 2.45 -0.32 2.22 1.01 -0.38 -4.97 121.20 121.45 4ubp s ILE 122 Ca -0.09 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 4ubp s ILE 122 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.30 4ubp s ILE 122 CO 0.04 0.51 1.02 0.00 0.00 0.00 0.00 174.94 176.51 4ubp s ALA 123 N 1.18 3.51 -2.06 9.38 0.00 -1.26 -0.98 121.76 131.52 4ubp s ALA 123 Ca 0.02 -0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.03 4ubp s ALA 123 Cb -0.14 -3.61 0.18 0.00 0.00 0.00 0.00 23.12 19.55 4ubp s ALA 123 CO -0.07 -1.43 1.09 0.00 0.00 0.00 0.00 175.76 175.34 4ubp n ALA 124 N 6.74 2.45 -1.67 0.00 0.00 0.16 -4.88 120.51 123.31 4ubp n ALA 124 Ca 0.10 -0.71 -0.48 0.00 0.00 0.00 0.00 53.44 52.36 4ubp n ALA 124 Cb 0.47 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 4ubp n ALA 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 4ubp n GLU 125 N 0.98 2.04 -0.71 0.00 0.00 -0.91 -0.40 120.64 121.64 4ubp n GLU 125 Ca 0.11 0.74 0.00 0.00 0.00 0.00 0.00 57.16 58.01 4ubp n GLU 125 Cb 0.44 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.36 4ubp n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 4ubp n GLY 126 N 3.73 0.85 3.70 -1.84 0.00 -1.26 -4.78 105.19 105.59 4ubp n GLY 126 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 4ubp n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4ubp s LYS 127 N -0.29 2.54 -0.19 1.61 -0.14 0.46 -4.38 119.74 119.35 4ubp s LYS 127 Ca 0.00 -1.00 -0.12 0.00 -1.36 0.00 0.00 55.97 53.49 4ubp s LYS 127 Cb 0.00 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 4ubp s LYS 127 CO 0.00 0.48 0.20 0.42 -0.76 0.00 0.00 175.35 175.69 4ubp s ILE 128 N -1.65 5.36 -0.15 2.17 1.01 -0.26 -2.53 121.20 125.15 4ubp s ILE 128 Ca 0.28 0.34 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 4ubp s ILE 128 Cb -0.10 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 4ubp s ILE 128 CO 0.19 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.71 4ubp s VAL 129 N 0.52 2.88 0.27 2.92 1.01 0.23 -0.49 120.40 127.74 4ubp s VAL 129 Ca 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.45 4ubp s VAL 129 Cb -0.12 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 4ubp s VAL 129 CO 0.01 0.51 -0.05 0.42 0.00 0.00 0.00 175.10 175.99 4ubp s THR 130 N 0.69 1.53 0.79 3.92 -4.23 -0.58 -1.66 115.64 116.11 4ubp s THR 130 Ca -0.06 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.20 4ubp s THR 130 Cb -0.15 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.34 4ubp s THR 130 CO 0.02 -0.32 1.16 0.00 -0.54 0.00 0.00 174.62 174.94 4ubp n ALA 131 N -0.54 -0.04 -1.77 3.99 0.00 -1.26 -0.80 120.51 120.09 4ubp n ALA 131 Ca -0.05 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 4ubp n ALA 131 Cb 0.63 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 4ubp n ALA 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 4ubp s GLY 132 N -2.01 2.89 0.45 0.00 0.00 -1.01 -4.60 107.32 103.04 4ubp s GLY 132 Ca 0.74 1.16 -0.23 0.00 0.00 0.00 0.00 44.72 46.39 4ubp s GLY 132 CO 0.50 1.71 1.11 -0.32 0.00 0.00 0.00 173.10 176.10 4ubp s GLY 133 N -0.91 2.72 -0.39 0.20 0.00 0.44 -4.65 107.32 104.72 4ubp s GLY 133 Ca 0.60 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 46.10 4ubp s GLY 133 CO 0.45 1.23 0.17 -0.42 0.00 0.00 0.00 173.10 174.53 4ubp s ILE 134 N -1.66 3.24 -0.40 0.90 -1.09 0.19 -0.68 121.20 121.70 4ubp s ILE 134 Ca 0.63 -1.95 -0.16 0.00 -2.23 0.00 0.00 60.65 56.95 4ubp s ILE 134 Cb -0.24 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 4ubp s ILE 134 CO 0.30 -0.60 0.36 -0.62 -1.23 0.00 0.00 174.94 173.15 4ubp s ASP 135 N 1.72 6.15 -0.00 3.58 2.15 -0.16 -4.74 116.67 125.36 4ubp s ASP 135 Ca 0.06 -0.72 0.22 0.00 0.43 0.00 0.00 52.55 52.54 4ubp s ASP 135 Cb -0.22 -2.19 0.62 0.00 -0.30 0.00 0.00 42.92 40.83 4ubp s ASP 135 CO -0.04 -0.48 1.52 0.35 -0.17 0.00 0.00 175.17 176.35 4ubp n THR 136 N 5.28 0.95 -3.30 1.71 -2.24 -1.26 -0.51 114.28 114.91 4ubp n THR 136 Ca -0.09 -0.94 -0.25 0.00 -2.27 0.00 0.00 64.05 60.49 4ubp n THR 136 Cb 0.48 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 4ubp n THR 136 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 4ubp n HIS 137 N 1.55 1.37 -4.26 4.78 -0.00 -1.12 -4.51 115.22 113.02 4ubp n HIS 137 Ca 0.23 -3.82 -0.34 0.00 -0.00 0.00 0.00 57.72 53.80 4ubp n HIS 137 Cb 0.59 -0.43 -0.14 0.00 -0.00 0.00 0.00 29.99 30.01 4ubp n HIS 137 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 4ubp s VAL 138 N -1.72 3.18 -0.27 3.57 1.01 -0.52 -0.66 120.40 124.98 4ubp s VAL 138 Ca 0.37 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 4ubp s VAL 138 Cb 0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 4ubp s VAL 138 CO -0.07 0.47 0.45 -1.00 0.00 0.00 0.00 175.10 174.96 4ubp s HIS 139 N 0.99 3.25 -0.89 5.22 3.76 -1.18 -1.43 115.29 125.02 4ubp s HIS 139 Ca -0.01 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.16 4ubp s HIS 139 Cb -0.15 -2.66 0.04 0.00 1.11 0.00 0.00 32.58 30.92 4ubp s HIS 139 CO -0.01 -0.27 1.38 -0.06 -0.85 0.00 0.00 174.74 174.93 4ubp s PHE 140 N 2.21 2.40 0.00 1.40 0.08 0.07 -4.67 117.98 119.47 4ubp s PHE 140 Ca 0.18 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.78 4ubp s PHE 140 Cb -0.16 -4.66 0.00 0.00 -0.57 0.00 0.00 43.02 37.63 4ubp s PHE 140 CO 0.10 -2.01 0.00 -0.89 -0.10 0.00 0.00 175.22 172.32 4ubp n ILE 141 N 6.66 0.00 -3.57 0.64 5.41 -1.26 -1.04 119.36 126.20 4ubp n ILE 141 Ca 0.19 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.79 4ubp n ILE 141 Cb 0.50 -0.63 -0.13 0.00 -0.71 0.00 0.00 39.64 38.67 4ubp n ILE 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 4ubp s ASN 142 N -3.65 0.77 0.61 4.38 3.84 -1.26 -2.97 114.94 116.67 4ubp s ASN 142 Ca 0.00 0.22 0.30 0.00 0.21 0.00 0.00 52.86 53.59 4ubp s ASN 142 Cb 0.00 0.58 1.65 0.00 -0.55 0.00 0.00 41.25 42.93 4ubp s ASN 142 CO 0.00 -0.28 2.02 -0.65 -2.79 0.00 0.00 177.10 175.40 4ubp h PRO 143 N 8.29 0.00 0.00 0.43 0.11 -1.99 0.63 132.00 139.47 4ubp h PRO 143 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 4ubp h PRO 143 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 4ubp h PRO 143 CO 0.20 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.74 4ubp n ASP 144 N -3.53 0.58 0.27 -2.05 8.00 -1.26 -2.07 116.55 116.49 4ubp n ASP 144 Ca 0.02 0.75 0.16 0.00 0.71 0.00 0.00 54.79 56.44 4ubp n ASP 144 Cb 0.42 -0.84 0.70 0.00 -0.02 0.00 0.00 41.12 41.38 4ubp n ASP 144 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 4ubp h GLN 145 N 0.00 0.00 -0.09 -1.24 3.07 -1.30 -3.25 115.11 112.30 4ubp h GLN 145 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 4ubp h GLN 145 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.61 4ubp h GLN 145 CO 0.00 0.06 -0.02 0.28 0.09 0.00 0.00 178.83 179.24 4ubp h VAL 146 N 0.00 1.29 -0.74 1.86 2.07 -1.64 -2.18 116.25 116.91 4ubp h VAL 146 Ca -0.00 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 4ubp h VAL 146 Cb 0.49 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 4ubp h VAL 146 CO 0.01 0.26 0.46 0.44 0.02 0.00 0.00 177.57 178.75 4ubp h ASP 147 N -0.15 0.88 -0.47 0.57 5.19 -1.78 0.06 116.42 120.71 4ubp h ASP 147 Ca 0.02 -0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.45 4ubp h ASP 147 Cb 0.41 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 4ubp h ASP 147 CO 0.01 0.66 0.17 0.58 -3.12 0.00 0.00 179.24 177.54 4ubp h VAL 148 N 1.02 0.85 -0.17 -1.35 2.07 -1.60 -0.82 116.25 116.25 4ubp h VAL 148 Ca 0.27 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 4ubp h VAL 148 Cb -0.06 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 4ubp h VAL 148 CO -0.05 0.06 0.03 0.00 0.02 0.00 0.00 177.57 177.63 4ubp h ALA 149 N 1.31 0.23 -0.80 1.67 0.00 -0.68 -3.07 119.26 117.91 4ubp h ALA 149 Ca 0.22 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.99 4ubp h ALA 149 Cb 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 4ubp h ALA 149 CO -0.22 -0.10 0.53 -0.07 0.00 0.00 0.00 179.25 179.38 4ubp h LEU 150 N 0.07 0.87 -1.74 0.00 3.38 -0.75 -1.65 115.31 115.49 4ubp h LEU 150 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 4ubp h LEU 150 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 4ubp h LEU 150 CO 0.00 0.61 -0.16 0.00 0.09 0.00 0.00 178.44 178.98 4ubp h ALA 151 N 1.52 1.54 -0.50 1.53 0.00 -1.06 -1.00 119.26 121.29 4ubp h ALA 151 Ca 0.31 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 4ubp h ALA 151 Cb -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 4ubp h ALA 151 CO -0.08 0.21 0.11 -1.71 0.00 0.00 0.00 179.25 177.77 4ubp n ASN 152 N -4.07 4.15 0.00 0.00 4.05 -0.84 -1.75 115.26 116.79 4ubp n ASN 152 Ca -0.02 -3.24 0.00 0.00 0.45 0.00 0.00 54.58 51.77 4ubp n ASN 152 Cb 0.24 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.60 4ubp n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 4ubp n GLY 153 N -0.41 0.49 3.76 8.20 0.00 -0.38 -4.63 105.19 112.21 4ubp n GLY 153 Ca 0.33 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 4ubp n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4ubp s ILE 154 N -2.00 5.13 0.00 -0.61 1.01 -0.68 -0.42 121.20 123.63 4ubp s ILE 154 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.56 4ubp s ILE 154 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 4ubp s ILE 154 CO 0.00 0.41 0.14 0.35 0.00 0.00 0.00 174.94 175.84 4ubp n THR 155 N 3.08 0.00 -4.04 2.92 -2.24 0.15 -3.86 114.28 110.28 4ubp n THR 155 Ca -0.09 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 4ubp n THR 155 Cb 0.52 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 4ubp n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 4ubp s THR 156 N -0.62 0.40 -0.23 4.28 2.01 -0.87 -1.22 115.64 119.38 4ubp s THR 156 Ca 0.00 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 4ubp s THR 156 Cb 0.00 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.07 4ubp s THR 156 CO 0.00 0.20 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.27 4ubp s LEU 157 N 1.07 2.91 -0.14 4.42 1.43 0.29 -0.99 118.68 127.67 4ubp s LEU 157 Ca -0.09 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 4ubp s LEU 157 Cb -0.14 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 4ubp s LEU 157 CO -0.01 -0.09 -0.10 -0.36 0.23 0.00 0.00 176.35 176.02 4ubp s PHE 158 N 1.31 2.87 -1.25 0.29 0.40 0.33 -1.64 117.98 120.30 4ubp s PHE 158 Ca 0.01 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 4ubp s PHE 158 Cb -0.16 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.49 4ubp s PHE 158 CO -0.07 -0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.08 4ubp n GLY 159 N 3.59 -0.67 3.70 4.36 0.00 -0.76 -1.44 105.19 113.97 4ubp n GLY 159 Ca -0.18 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 4ubp n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4ubp s GLY 160 N 0.00 -0.28 0.00 -0.02 0.00 -0.51 -0.13 107.32 106.38 4ubp s GLY 160 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 4ubp s GLY 160 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 4ubp n GLY 161 N -0.42 4.24 0.12 0.20 0.00 -1.02 -0.75 105.19 107.55 4ubp n GLY 161 Ca -0.07 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.51 4ubp n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4ubp n THR 162 N -1.98 1.69 0.00 2.61 -2.24 -1.21 -4.70 114.28 108.45 4ubp n THR 162 Ca 0.00 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.86 4ubp n THR 162 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 4ubp n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4ubp n GLY 163 N -1.11 -1.13 1.90 3.38 0.00 -0.21 -4.80 105.19 103.22 4ubp n GLY 163 Ca 0.13 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 4ubp n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4ubp n PRO 164 N 0.00 1.74 -3.06 1.61 -0.04 -1.16 -4.49 135.00 129.60 4ubp n PRO 164 Ca 0.00 -0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 62.20 4ubp n PRO 164 Cb 0.00 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 4ubp n PRO 164 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 4ubp s ALA 165 N 0.17 3.36 0.40 0.55 0.00 -1.26 -4.93 121.76 120.05 4ubp s ALA 165 Ca 0.44 0.19 0.12 0.00 0.00 0.00 0.00 51.96 52.71 4ubp s ALA 165 Cb 0.23 -2.86 0.93 0.00 0.00 0.00 0.00 23.12 21.41 4ubp s ALA 165 CO -0.03 0.30 1.93 0.93 0.00 0.00 0.00 175.76 178.89 4ubp h GLU 166 N 3.13 0.53 -0.38 0.00 3.07 -1.98 -0.20 114.58 118.76 4ubp h GLU 166 Ca -0.48 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 4ubp h GLU 166 Cb 1.19 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 4ubp h GLU 166 CO 0.65 0.35 0.22 0.78 -1.40 0.00 0.00 179.01 179.61 4ubp h GLY 167 N 0.55 0.55 1.54 -3.84 0.00 -1.94 -1.80 103.07 98.14 4ubp h GLY 167 Ca 0.36 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 4ubp h GLY 167 CO -0.13 0.23 -0.52 1.76 0.00 0.00 0.00 176.54 177.88 4ubp h SER 168 N 0.49 0.54 0.18 0.19 0.02 -1.48 -0.35 113.55 113.14 4ubp h SER 168 Ca 0.13 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 4ubp h SER 168 Cb 0.03 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 4ubp h SER 168 CO -0.02 0.96 -0.16 0.11 -1.14 0.00 0.00 176.83 176.58 4ubp h LYS 169 N 0.38 0.00 0.01 3.45 1.57 -0.85 -3.18 116.57 117.95 4ubp h LYS 169 Ca 0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 4ubp h LYS 169 Cb 1.04 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 4ubp h LYS 169 CO 0.09 0.16 -2.14 0.00 -0.57 0.00 0.00 179.45 176.99 4ubp n ALA 170 N -2.47 1.42 -2.85 3.86 0.00 -0.69 -4.52 120.51 115.25 4ubp n ALA 170 Ca -0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 4ubp n ALA 170 Cb 0.23 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.11 4ubp n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 4ubp s THR 171 N -2.54 0.24 -1.49 0.00 -4.23 -0.15 -5.02 115.64 102.46 4ubp s THR 171 Ca -0.13 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 59.83 4ubp s THR 171 Cb 0.07 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.67 4ubp s THR 171 CO 0.79 -0.11 2.35 0.35 -0.54 0.00 0.00 174.62 177.46 4ubp n THR 172 N 2.51 3.59 -4.01 3.99 -2.24 -1.26 -4.23 114.28 112.63 4ubp n THR 172 Ca -0.16 -2.93 -0.17 0.00 -2.27 0.00 0.00 64.05 58.52 4ubp n THR 172 Cb 0.58 -2.61 -0.16 0.00 -2.10 0.00 0.00 70.33 66.04 4ubp n THR 172 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 4ubp s VAL 173 N 3.03 0.27 -0.36 2.28 1.01 -1.25 -3.66 120.40 121.72 4ubp s VAL 173 Ca 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 4ubp s VAL 173 Cb 0.15 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.30 4ubp s VAL 173 CO -0.08 0.14 0.10 -0.89 0.00 0.00 0.00 175.10 174.37 4ubp s THR 174 N 0.71 2.86 -0.05 3.92 2.01 -0.03 -2.43 115.64 122.64 4ubp s THR 174 Ca -0.08 -1.98 -0.26 0.00 0.31 0.00 0.00 61.69 59.68 4ubp s THR 174 Cb -0.11 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 4ubp s THR 174 CO -0.01 -0.51 0.83 -2.16 -0.69 0.00 0.00 174.62 172.09 4ubp s PRO 175 N 1.09 4.48 0.08 4.92 0.04 -1.26 -4.12 135.00 140.23 4ubp s PRO 175 Ca 0.05 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.22 4ubp s PRO 175 Cb -0.21 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.87 4ubp s PRO 175 CO -0.05 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.39 4ubp n GLY 176 N 3.04 -2.43 0.32 0.56 0.00 -1.26 -3.85 105.19 101.58 4ubp n GLY 176 Ca 0.02 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.65 4ubp n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4ubp h PRO 177 N -0.20 0.88 -0.08 1.61 0.11 -1.91 -1.67 132.00 130.74 4ubp h PRO 177 Ca -0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 4ubp h PRO 177 Cb 0.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.11 4ubp h PRO 177 CO 0.01 0.59 -0.16 2.35 -0.21 0.00 0.00 178.00 180.57 4ubp h TRP 178 N 0.91 0.32 -0.69 0.65 7.01 -1.98 -1.58 115.95 120.59 4ubp h TRP 178 Ca 0.40 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 4ubp h TRP 178 Cb 0.28 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 4ubp h TRP 178 CO -0.04 0.77 0.31 -0.91 -2.79 0.00 0.00 178.44 175.78 4ubp h ASN 179 N -0.22 0.90 -0.08 2.65 2.35 -1.64 -0.57 115.58 118.96 4ubp h ASN 179 Ca 0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 4ubp h ASN 179 Cb 0.75 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 4ubp h ASN 179 CO 0.04 0.78 0.04 0.40 -1.65 0.00 0.00 177.43 177.03 4ubp h ILE 180 N 0.98 1.11 -0.61 2.81 2.04 -1.26 -0.17 117.51 122.41 4ubp h ILE 180 Ca 0.24 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.83 4ubp h ILE 180 Cb 0.13 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 4ubp h ILE 180 CO -0.03 0.10 0.29 -0.33 0.00 0.00 0.00 178.15 178.19 4ubp h GLU 181 N 0.00 0.52 -0.27 2.37 5.08 -0.88 0.27 114.58 121.67 4ubp h GLU 181 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 4ubp h GLU 181 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 4ubp h GLU 181 CO -0.00 0.35 0.18 0.87 -1.00 0.00 0.00 179.01 179.40 4ubp h LYS 182 N 0.54 0.35 0.00 2.33 1.79 -0.83 -1.78 116.57 118.97 4ubp h LYS 182 Ca 0.29 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.64 4ubp h LYS 182 Cb 0.26 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 4ubp h LYS 182 CO -0.23 0.23 -0.48 0.52 -1.08 0.00 0.00 179.45 178.41 4ubp h MET 183 N 0.36 0.00 -0.69 3.15 2.86 -0.66 -0.58 114.93 119.37 4ubp h MET 183 Ca 0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 4ubp h MET 183 Cb -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 4ubp h MET 183 CO -0.02 0.48 0.16 -0.07 1.06 0.00 0.00 176.91 178.52 4ubp h LEU 184 N 0.00 1.05 -0.42 1.22 3.38 -0.71 -0.61 115.31 119.23 4ubp h LEU 184 Ca -0.00 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 4ubp h LEU 184 Cb 0.92 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 4ubp h LEU 184 CO 0.06 1.01 -0.40 0.11 0.09 0.00 0.00 178.44 179.31 4ubp h LYS 185 N 1.05 0.89 -0.93 1.13 1.57 -0.72 -3.00 116.57 116.55 4ubp h LYS 185 Ca 0.22 -0.47 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 4ubp h LYS 185 Cb 0.38 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 4ubp h LYS 185 CO 0.00 1.12 0.61 1.03 -0.57 0.00 0.00 179.45 181.64 4ubp h SER 186 N 0.72 1.02 -0.36 0.86 0.87 -0.92 -2.57 113.55 113.18 4ubp h SER 186 Ca 0.05 -0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.71 4ubp h SER 186 Cb 0.99 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 4ubp h SER 186 CO 0.10 0.71 0.28 0.74 -0.53 0.00 0.00 176.83 178.12 4ubp h THR 187 N 1.19 0.73 -0.29 2.23 2.02 -0.97 -0.16 112.91 117.66 4ubp h THR 187 Ca 0.36 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.63 4ubp h THR 187 Cb -0.03 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 4ubp h THR 187 CO -0.11 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.84 4ubp h GLU 188 N 0.00 0.00 -0.43 6.66 4.39 -1.45 -1.43 114.58 122.32 4ubp h GLU 188 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 4ubp h GLU 188 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 4ubp h GLU 188 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 4ubp n GLY 189 N -1.42 2.04 3.59 -3.84 0.00 -0.07 -4.78 105.19 100.70 4ubp n GLY 189 Ca 0.05 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 4ubp n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4ubp s LEU 190 N -1.13 3.89 -1.48 0.99 1.43 -0.54 -5.00 118.68 116.84 4ubp s LEU 190 Ca 0.34 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 4ubp s LEU 190 Cb 0.19 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.38 4ubp s LEU 190 CO 0.25 0.02 2.59 -0.81 0.23 0.00 0.00 176.35 178.63 4ubp n PRO 191 N 4.57 3.88 -3.51 1.29 -0.04 -1.26 -4.79 135.00 135.14 4ubp n PRO 191 Ca -0.15 -2.78 -0.12 0.00 -0.04 0.00 0.00 63.50 60.41 4ubp n PRO 191 Cb 0.52 -2.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.12 4ubp n PRO 191 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 4ubp s ILE 192 N 1.07 0.00 0.49 0.52 2.07 -1.26 -5.04 121.20 119.05 4ubp s ILE 192 Ca 0.59 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.62 4ubp s ILE 192 Cb 0.17 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.69 4ubp s ILE 192 CO -0.07 0.00 1.12 0.20 -1.91 0.00 0.00 174.94 174.28 4ubp s ASN 193 N -1.96 6.07 0.01 4.50 0.01 -0.36 -4.63 114.94 118.58 4ubp s ASN 193 Ca -0.01 2.17 -0.01 0.00 -0.71 0.00 0.00 52.86 54.30 4ubp s ASN 193 Cb -0.01 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 4ubp s ASN 193 CO -0.04 -0.98 0.01 -0.69 -1.51 0.00 0.00 177.10 173.89 4ubp s VAL 194 N -1.71 0.09 -0.00 1.60 1.01 -0.34 -0.55 120.40 120.49 4ubp s VAL 194 Ca 0.67 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.95 4ubp s VAL 194 Cb -0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 4ubp s VAL 194 CO 0.29 -0.39 -0.03 -0.83 0.00 0.00 0.00 175.10 174.13 4ubp s GLY 195 N -1.19 0.16 -0.11 4.51 0.00 -0.65 -0.55 107.32 109.48 4ubp s GLY 195 Ca -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 4ubp s GLY 195 CO -0.00 -0.09 -0.09 -0.42 0.00 0.00 0.00 173.10 172.50 4ubp s ILE 196 N -0.03 3.43 -0.17 0.90 1.01 -1.26 -1.82 121.20 123.25 4ubp s ILE 196 Ca 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 4ubp s ILE 196 Cb -0.02 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 4ubp s ILE 196 CO -0.00 0.54 0.19 -0.76 0.00 0.00 0.00 174.94 174.91 4ubp s LEU 197 N -0.09 4.25 0.85 2.97 1.43 0.81 0.18 118.68 129.08 4ubp s LEU 197 Ca -0.00 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 4ubp s LEU 197 Cb -0.13 -2.19 0.17 0.00 0.03 0.00 0.00 46.19 44.06 4ubp s LEU 197 CO 0.03 0.18 1.17 -0.83 0.23 0.00 0.00 176.35 177.13 4ubp s GLY 198 N 0.20 1.77 -0.23 -3.19 0.00 -0.25 -0.85 107.32 104.77 4ubp s GLY 198 Ca 0.12 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 4ubp s GLY 198 CO 0.01 -0.79 1.23 1.25 0.00 0.00 0.00 173.10 174.79 4ubp s LYS 199 N -5.54 4.12 -0.30 2.90 2.20 -1.26 -4.46 119.74 117.41 4ubp s LYS 199 Ca 0.70 1.44 -0.04 0.00 -0.36 0.00 0.00 55.97 57.72 4ubp s LYS 199 Cb -0.04 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 4ubp s LYS 199 CO 0.49 -0.84 2.89 0.41 -0.36 0.00 0.00 175.35 177.94 4ubp n GLY 200 N 3.81 3.90 2.89 5.54 0.00 -1.26 -4.84 105.19 115.23 4ubp n GLY 200 Ca 0.14 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 4ubp n GLY 200 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4ubp s HIS 201 N -0.95 0.38 0.00 1.61 4.02 -1.26 -4.49 115.29 114.59 4ubp s HIS 201 Ca 0.56 -0.06 0.00 0.00 1.02 0.00 0.00 55.06 56.59 4ubp s HIS 201 Cb 0.34 -0.34 0.00 0.00 -1.02 0.00 0.00 32.58 31.56 4ubp s HIS 201 CO -0.13 -0.07 0.00 0.41 1.02 0.00 0.00 174.74 175.96 4ubp n GLY 202 N 3.53 3.12 0.10 -2.22 0.00 -1.26 -4.70 105.19 103.76 4ubp n GLY 202 Ca -0.20 -1.22 0.03 0.00 0.00 0.00 0.00 46.02 44.64 4ubp n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4ubp n SER 203 N 0.00 0.77 -4.52 1.61 3.41 -1.26 -3.83 113.62 109.80 4ubp n SER 203 Ca 0.00 -0.89 -0.30 0.00 -0.26 0.00 0.00 58.87 57.42 4ubp n SER 203 Cb 0.00 0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 4ubp n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 4ubp s SER 204 N -1.26 4.11 0.10 4.04 0.01 -1.26 -5.03 113.70 114.40 4ubp s SER 204 Ca 0.05 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 4ubp s SER 204 Cb 0.05 -0.70 -0.07 0.00 0.21 0.00 0.00 66.02 65.51 4ubp s SER 204 CO 0.21 0.20 1.49 0.40 0.41 0.00 0.00 173.24 175.94 4ubp h ILE 205 N 3.51 1.28 -0.52 1.44 1.08 -1.94 -3.37 117.51 119.00 4ubp h ILE 205 Ca -0.49 -1.14 0.08 0.00 -0.39 0.00 0.00 64.86 62.92 4ubp h ILE 205 Cb 1.17 1.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.26 4ubp h ILE 205 CO 0.49 0.37 0.16 0.00 -0.69 0.00 0.00 178.15 178.48 4ubp h ALA 206 N 0.78 0.63 -0.70 1.87 0.00 -1.98 0.46 119.26 120.32 4ubp h ALA 206 Ca 0.07 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 4ubp h ALA 206 Cb 0.59 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 4ubp h ALA 206 CO 0.03 -0.24 0.46 -1.35 0.00 0.00 0.00 179.25 178.15 4ubp h PRO 207 N 0.32 0.84 0.06 0.00 0.11 -1.97 -0.82 132.00 130.54 4ubp h PRO 207 Ca 0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 4ubp h PRO 207 Cb 0.31 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.23 4ubp h PRO 207 CO -0.29 0.56 -0.03 0.82 -0.21 0.00 0.00 178.00 178.85 4ubp h ILE 208 N 0.87 1.11 -0.85 4.15 2.04 -1.46 -3.36 117.51 120.01 4ubp h ILE 208 Ca 0.27 -1.56 0.10 0.00 1.00 0.00 0.00 64.86 64.68 4ubp h ILE 208 Cb 0.02 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 4ubp h ILE 208 CO -0.07 0.33 0.55 -0.03 0.00 0.00 0.00 178.15 178.93 4ubp h MET 209 N -0.90 0.76 0.00 2.37 4.05 -0.80 -2.24 114.93 118.17 4ubp h MET 209 Ca -0.01 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 4ubp h MET 209 Cb 0.61 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 4ubp h MET 209 CO 0.01 0.51 -0.03 1.05 0.23 0.00 0.00 176.91 178.68 4ubp h GLU 210 N 0.79 0.00 -0.23 0.39 4.11 -1.29 -0.45 114.58 117.89 4ubp h GLU 210 Ca 0.39 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.73 4ubp h GLU 210 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 4ubp h GLU 210 CO -0.16 0.03 -0.21 1.96 0.07 0.00 0.00 179.01 180.69 4ubp h GLN 211 N 0.00 0.56 -0.00 1.06 4.20 -1.57 -0.97 115.11 118.38 4ubp h GLN 211 Ca -0.00 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.44 4ubp h GLN 211 Cb 0.17 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 4ubp h GLN 211 CO 0.00 0.87 -0.07 0.82 -0.67 0.00 0.00 178.83 179.79 4ubp h ILE 212 N 0.26 0.82 0.00 2.54 1.08 -1.17 -1.96 117.51 119.08 4ubp h ILE 212 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 4ubp h ILE 212 Cb 0.76 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 4ubp h ILE 212 CO 0.05 0.00 -0.11 0.44 -0.69 0.00 0.00 178.15 177.85 4ubp h ASP 213 N -0.12 0.00 1.25 1.72 3.32 -1.30 -1.85 116.42 119.45 4ubp h ASP 213 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 4ubp h ASP 213 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 4ubp h ASP 213 CO -0.07 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 4ubp h ALA 214 N 1.89 1.00 0.00 3.45 0.00 -0.81 -3.34 119.26 121.45 4ubp h ALA 214 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 4ubp h ALA 214 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 4ubp h ALA 214 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 4ubp n GLY 215 N 0.75 0.15 3.75 0.00 0.00 -0.70 -4.65 105.19 104.50 4ubp n GLY 215 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 4ubp n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4ubp s ALA 216 N -1.07 2.52 -2.07 4.61 0.00 -0.77 -4.27 121.76 120.71 4ubp s ALA 216 Ca 0.00 0.94 0.18 0.00 0.00 0.00 0.00 51.96 53.08 4ubp s ALA 216 Cb 0.00 -3.43 0.25 0.00 0.00 0.00 0.00 23.12 19.93 4ubp s ALA 216 CO 0.00 -1.17 1.17 0.00 0.00 0.00 0.00 175.76 175.76 4ubp n ALA 217 N -1.70 2.42 0.00 0.00 0.00 0.13 -2.48 120.51 118.88 4ubp n ALA 217 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.76 4ubp n ALA 217 Cb 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 4ubp n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4ubp n GLY 218 N 1.07 -1.46 0.00 0.00 0.00 -1.22 -4.22 105.19 99.37 4ubp n GLY 218 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.14 4ubp n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4ubp n LEU 219 N 0.00 0.00 -3.65 0.99 4.77 -0.45 -1.09 117.00 117.57 4ubp n LEU 219 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 4ubp n LEU 219 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 4ubp n LEU 219 CO 0.00 0.00 0.28 -0.63 -1.33 0.00 0.00 177.39 175.71 4ubp s ILE 221 N 0.99 -0.71 -0.02 -0.08 1.01 0.46 -0.68 121.20 122.17 4ubp s ILE 221 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.68 4ubp s ILE 221 Cb 0.00 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 4ubp s ILE 221 CO 0.00 0.00 -0.09 -2.28 0.00 0.00 0.00 174.94 172.57 4ubp s HIS 222 N 2.54 0.88 0.57 3.97 2.46 -1.26 -0.53 115.29 123.92 4ubp s HIS 222 Ca -0.07 -0.20 0.26 0.00 0.47 0.00 0.00 55.06 55.52 4ubp s HIS 222 Cb -0.10 -0.61 1.60 0.00 -0.13 0.00 0.00 32.58 33.35 4ubp s HIS 222 CO -0.19 -0.06 2.16 1.05 -2.47 0.00 0.00 174.74 175.23 4ubp h GLU 223 N 6.20 0.00 0.00 2.88 4.11 -1.55 -0.50 114.58 125.73 4ubp h GLU 223 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 4ubp h GLU 223 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 4ubp h GLU 223 CO 0.49 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 179.13 4ubp h ASP 224 N 0.00 0.00 -0.25 3.06 5.19 -1.94 -0.70 116.42 121.79 4ubp h ASP 224 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 4ubp h ASP 224 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 4ubp h ASP 224 CO -0.00 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 176.91 4ubp n TRP 225 N -2.64 0.31 -0.44 4.55 7.02 -0.21 -5.01 117.44 121.02 4ubp n TRP 225 Ca 0.00 -0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 4ubp n TRP 225 Cb 0.20 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 4ubp n TRP 225 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 4ubp n GLY 226 N 1.34 -0.89 2.37 6.99 0.00 -0.27 -4.95 105.19 109.78 4ubp n GLY 226 Ca 0.16 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 4ubp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4ubp n ALA 227 N -0.01 7.09 -2.17 4.61 0.00 -1.24 -4.72 120.51 124.07 4ubp n ALA 227 Ca 0.00 -3.61 -0.26 0.00 0.00 0.00 0.00 53.44 49.57 4ubp n ALA 227 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 16.52 4ubp n ALA 227 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 4ubp s THR 228 N 0.34 3.92 0.37 0.00 -4.23 -1.26 -4.43 115.64 110.34 4ubp s THR 228 Ca 0.62 -0.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.14 4ubp s THR 228 Cb 0.21 -3.52 0.33 0.00 1.34 0.00 0.00 72.50 70.86 4ubp s THR 228 CO -0.08 -0.49 1.86 -0.65 -0.54 0.00 0.00 174.62 174.73 4ubp h PRO 229 N 0.03 0.61 -0.12 3.99 0.11 -1.92 -1.31 132.00 133.39 4ubp h PRO 229 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 4ubp h PRO 229 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 4ubp h PRO 229 CO 0.60 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 178.67 4ubp h ALA 230 N 1.61 0.17 -0.58 -0.75 0.00 -1.93 -0.75 119.26 117.02 4ubp h ALA 230 Ca 0.45 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 4ubp h ALA 230 Cb 0.82 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 4ubp h ALA 230 CO -0.20 0.03 0.21 0.77 0.00 0.00 0.00 179.25 180.05 4ubp h SER 231 N -0.11 0.79 0.12 0.00 0.02 -1.54 0.13 113.55 112.96 4ubp h SER 231 Ca 0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 4ubp h SER 231 Cb 0.64 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.98 4ubp h SER 231 CO 0.03 0.73 -0.06 0.40 -1.14 0.00 0.00 176.83 176.79 4ubp h ILE 232 N 0.85 0.94 -0.08 3.27 2.04 -1.16 -1.89 117.51 121.46 4ubp h ILE 232 Ca 0.20 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.85 4ubp h ILE 232 Cb 0.21 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 4ubp h ILE 232 CO -0.01 0.05 0.05 -0.78 0.00 0.00 0.00 178.15 177.46 4ubp h ASP 233 N -0.26 0.09 -0.60 1.72 3.58 -0.76 -1.83 116.42 118.36 4ubp h ASP 233 Ca -0.02 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 4ubp h ASP 233 Cb 0.21 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 4ubp h ASP 233 CO 0.03 0.09 0.18 0.03 -2.88 0.00 0.00 179.24 176.69 4ubp h ARG 234 N 0.09 0.94 -0.76 0.28 2.47 -0.98 -0.88 114.38 115.54 4ubp h ARG 234 Ca 0.03 -0.20 0.01 0.00 -1.26 0.00 0.00 59.98 58.55 4ubp h ARG 234 Cb 0.01 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 4ubp h ARG 234 CO -0.01 0.84 0.50 0.77 0.56 0.00 0.00 179.97 182.63 4ubp h SER 235 N 0.86 0.88 0.34 7.04 0.02 -1.27 -0.73 113.55 120.68 4ubp h SER 235 Ca 0.19 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 4ubp h SER 235 Cb 0.29 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 4ubp h SER 235 CO -0.01 0.64 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.74 4ubp h LEU 236 N 1.03 0.22 -0.49 5.07 3.38 -0.98 0.63 115.31 124.16 4ubp h LEU 236 Ca 0.28 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 4ubp h LEU 236 Cb -0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 4ubp h LEU 236 CO -0.06 0.70 0.12 0.74 0.09 0.00 0.00 178.44 180.02 4ubp h THR 237 N 0.16 1.24 -0.16 0.22 2.02 -0.73 0.57 112.91 116.23 4ubp h THR 237 Ca 0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 4ubp h THR 237 Cb 0.97 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 4ubp h THR 237 CO 0.08 0.30 0.10 0.58 0.37 0.00 0.00 175.52 176.95 4ubp h VAL 238 N 0.68 1.06 -0.68 3.16 2.07 -0.95 -2.47 116.25 119.13 4ubp h VAL 238 Ca 0.16 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 4ubp h VAL 238 Cb 0.33 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 4ubp h VAL 238 CO 0.00 0.06 0.40 0.00 0.02 0.00 0.00 177.57 178.05 4ubp h ALA 239 N 1.03 0.87 0.00 1.67 0.00 -0.58 0.35 119.26 122.60 4ubp h ALA 239 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 4ubp h ALA 239 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 4ubp h ALA 239 CO -0.01 0.36 -0.21 -0.44 0.00 0.00 0.00 179.25 178.95 4ubp h ASP 240 N 0.93 0.00 0.36 0.00 3.32 -0.76 0.11 116.42 120.38 4ubp h ASP 240 Ca 0.24 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.99 4ubp h ASP 240 Cb -0.01 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 4ubp h ASP 240 CO -0.04 0.21 -1.32 -0.08 -1.72 0.00 0.00 179.24 176.29 4ubp h GLU 241 N 0.00 0.47 0.00 3.56 4.81 -0.90 -3.35 114.58 119.17 4ubp h GLU 241 Ca -0.00 -0.73 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 4ubp h GLU 241 Cb 0.38 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.02 4ubp h GLU 241 CO 0.03 1.34 -0.57 0.00 -0.73 0.00 0.00 179.01 179.07 4ubp n ALA 242 N -2.64 3.14 -3.29 2.92 0.00 0.05 -4.98 120.51 115.71 4ubp n ALA 242 Ca -0.13 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 4ubp n ALA 242 Cb 1.04 -1.16 0.08 0.00 0.00 0.00 0.00 19.45 19.41 4ubp n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 4ubp n ASP 243 N -1.85 -3.11 -4.27 0.00 2.03 0.37 -4.56 116.55 105.16 4ubp n ASP 243 Ca 0.04 -0.60 -0.15 0.00 0.52 0.00 0.00 54.79 54.60 4ubp n ASP 243 Cb 0.40 -4.86 -0.10 0.00 -0.72 0.00 0.00 41.12 35.84 4ubp n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 4ubp s VAL 244 N -3.34 1.23 0.30 5.18 -7.23 -1.16 -4.14 120.40 111.23 4ubp s VAL 244 Ca 0.11 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.12 4ubp s VAL 244 Cb -0.01 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 4ubp s VAL 244 CO 0.69 -0.70 0.60 -1.58 -0.31 0.00 0.00 175.10 173.79 4ubp s GLN 245 N -3.74 3.71 -0.15 4.82 2.00 -1.26 -4.71 119.66 120.33 4ubp s GLN 245 Ca 0.18 0.18 -0.00 0.00 -2.00 0.00 0.00 55.36 53.72 4ubp s GLN 245 Cb 0.02 -2.59 -0.01 0.00 0.80 0.00 0.00 33.01 31.24 4ubp s GLN 245 CO 0.02 0.19 -0.14 0.08 -0.50 0.00 0.00 175.29 174.94 4ubp s VAL 246 N -2.07 2.82 0.04 1.34 1.01 -1.26 -1.34 120.40 120.93 4ubp s VAL 246 Ca 0.47 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 4ubp s VAL 246 Cb -0.11 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 4ubp s VAL 246 CO 0.28 0.51 0.17 0.00 0.00 0.00 0.00 175.10 176.05 4ubp s ALA 247 N 0.73 3.87 -0.01 5.51 0.00 0.15 -0.31 121.76 131.69 4ubp s ALA 247 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.07 4ubp s ALA 247 Cb -0.15 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 4ubp s ALA 247 CO 0.01 0.78 -0.09 -1.50 0.00 0.00 0.00 175.76 174.97 4ubp s ILE 248 N -1.40 0.70 -0.33 0.00 2.07 -0.10 -0.40 121.20 121.73 4ubp s ILE 248 Ca 0.31 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 4ubp s ILE 248 Cb -0.13 -0.60 0.09 0.00 0.13 0.00 0.00 42.46 41.96 4ubp s ILE 248 CO 0.23 0.21 0.04 -2.28 -1.91 0.00 0.00 174.94 171.23 4ubp s HIS 249 N -0.08 3.65 0.99 3.50 5.65 0.31 -2.09 115.29 127.22 4ubp s HIS 249 Ca 0.01 -2.78 -0.16 0.00 0.25 0.00 0.00 55.06 52.38 4ubp s HIS 249 Cb -0.05 -2.77 0.21 0.00 -1.18 0.00 0.00 32.58 28.79 4ubp s HIS 249 CO -0.00 -0.94 1.31 -1.54 -0.65 0.00 0.00 174.74 172.93 4ubp s SER 250 N 1.07 2.88 -1.03 9.88 1.04 -1.26 -1.74 113.70 124.53 4ubp s SER 250 Ca 0.07 0.27 -0.23 0.00 0.48 0.00 0.00 55.95 56.53 4ubp s SER 250 Cb -0.20 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.59 4ubp s SER 250 CO -0.07 -2.88 1.83 -0.62 0.98 0.00 0.00 173.24 172.49 4ubp s ASP 251 N -4.84 5.51 0.26 7.02 -1.08 -1.26 -3.83 116.67 118.46 4ubp s ASP 251 Ca 0.74 -1.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.54 4ubp s ASP 251 Cb -0.04 -2.57 0.53 0.00 -1.46 0.00 0.00 42.92 39.38 4ubp s ASP 251 CO 0.53 -2.46 1.75 0.74 0.52 0.00 0.00 175.17 176.26 4ubp h THR 252 N 6.76 0.70 0.00 1.71 2.02 -1.92 -1.01 112.91 121.18 4ubp h THR 252 Ca 0.18 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.16 4ubp h THR 252 Cb 0.98 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 4ubp h THR 252 CO 1.28 0.11 0.00 0.18 0.37 0.00 0.00 175.52 177.45 4ubp n LEU 253 N -4.90 0.29 -2.96 2.58 4.32 -1.26 -2.15 117.00 112.91 4ubp n LEU 253 Ca 0.17 0.57 -0.21 0.00 -0.02 0.00 0.00 56.01 56.52 4ubp n LEU 253 Cb 0.44 -0.54 0.02 0.00 -1.62 0.00 0.00 43.42 41.71 4ubp n LEU 253 CO 0.20 -0.41 -0.06 0.59 -1.22 0.00 0.00 177.39 176.49 4ubp n ASN 254 N -1.82 -5.26 -0.01 -1.43 3.02 -0.38 -4.89 115.26 104.49 4ubp n ASN 254 Ca 0.03 -0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 4ubp n ASN 254 Cb 0.18 -4.30 -0.09 0.00 -0.61 0.00 0.00 39.78 34.96 4ubp n ASN 254 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 4ubp h GLU 255 N -0.95 0.04 -0.01 3.52 4.81 -1.90 -3.22 114.58 116.88 4ubp h GLU 255 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 4ubp h GLU 255 Cb 1.33 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 4ubp h GLU 255 CO 0.54 0.42 -0.63 0.00 -0.73 0.00 0.00 179.01 178.60 4ubp n ALA 256 N -2.30 3.92 0.00 2.92 0.00 -1.26 -5.03 120.51 118.76 4ubp n ALA 256 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.73 4ubp n ALA 256 Cb 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.89 4ubp n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4ubp n GLY 257 N 1.44 0.35 4.03 0.00 0.00 -1.22 -4.93 105.19 104.87 4ubp n GLY 257 Ca 0.08 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 4ubp n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4ubp s PHE 258 N -2.00 1.27 0.24 1.61 0.08 -1.26 -4.18 117.98 113.73 4ubp s PHE 258 Ca 0.00 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.30 4ubp s PHE 258 Cb 0.00 -2.33 0.42 0.00 -0.57 0.00 0.00 43.02 40.53 4ubp s PHE 258 CO 0.00 -1.34 1.68 1.25 -0.10 0.00 0.00 175.22 176.72 4ubp h LEU 259 N 0.00 -0.03 -2.22 -0.37 5.85 -1.94 0.60 115.31 117.20 4ubp h LEU 259 Ca -0.30 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.59 4ubp h LEU 259 Cb 1.28 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 4ubp h LEU 259 CO 0.40 -0.04 0.08 1.05 -0.34 0.00 0.00 178.44 179.58 4ubp h GLU 260 N 0.25 0.00 -0.19 1.25 9.09 -1.99 0.02 114.58 123.01 4ubp h GLU 260 Ca 0.39 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.60 4ubp h GLU 260 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 4ubp h GLU 260 CO -0.50 0.00 -0.67 -0.44 0.05 0.00 0.00 179.01 177.45 4ubp h ASP 261 N 0.00 0.84 -0.45 3.06 3.32 -1.24 -0.58 116.42 121.37 4ubp h ASP 261 Ca 0.04 -0.51 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 4ubp h ASP 261 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 4ubp h ASP 261 CO -0.00 1.29 -0.17 0.74 -1.72 0.00 0.00 179.24 179.37 4ubp h THR 262 N 0.53 1.27 -0.87 0.35 2.02 -0.94 -1.40 112.91 113.87 4ubp h THR 262 Ca -0.02 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 4ubp h THR 262 Cb 1.27 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.81 4ubp h THR 262 CO 0.14 0.45 0.47 -0.07 0.37 0.00 0.00 175.52 176.88 4ubp h LEU 263 N 0.75 1.10 -0.83 2.58 3.38 -0.97 -0.79 115.31 120.52 4ubp h LEU 263 Ca 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 4ubp h LEU 263 Cb 0.74 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 4ubp h LEU 263 CO 0.06 0.88 0.40 -0.09 0.09 0.00 0.00 178.44 179.79 4ubp h ARG 264 N 1.22 1.20 -0.40 1.13 2.43 -0.83 -0.86 114.38 118.26 4ubp h ARG 264 Ca 0.31 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 4ubp h ARG 264 Cb 0.04 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 4ubp h ARG 264 CO -0.05 0.92 -0.01 0.00 -1.51 0.00 0.00 179.97 179.32 4ubp h ALA 265 N 1.22 1.24 -0.56 2.80 0.00 -0.74 -2.58 119.26 120.62 4ubp h ALA 265 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 4ubp h ALA 265 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 4ubp h ALA 265 CO -0.04 0.51 0.21 0.82 0.00 0.00 0.00 179.25 180.75 4ubp h ILE 266 N 0.61 1.23 -5.95 0.00 2.04 -0.69 -3.41 117.51 111.33 4ubp h ILE 266 Ca 0.12 -0.73 -0.41 0.00 1.00 0.00 0.00 64.86 64.85 4ubp h ILE 266 Cb 0.40 0.65 0.09 0.00 -0.74 0.00 0.00 36.82 37.22 4ubp h ILE 266 CO 0.02 0.28 -0.73 -3.20 0.00 0.00 0.00 178.15 174.51 4ubp n ASN 267 N -4.48 -4.57 0.00 1.72 5.15 -0.37 -2.06 115.26 110.66 4ubp n ASN 267 Ca 0.03 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 4ubp n ASN 267 Cb 0.18 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 34.77 4ubp n ASN 267 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 4ubp n GLY 268 N -1.72 1.51 3.81 8.20 0.00 -1.26 -5.03 105.19 110.71 4ubp n GLY 268 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 4ubp n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ubp s ARG 269 N -0.18 3.42 0.25 1.61 0.52 -0.87 -4.82 118.95 118.88 4ubp s ARG 269 Ca 0.00 1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 56.04 4ubp s ARG 269 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 4ubp s ARG 269 CO 0.00 -0.72 1.18 0.08 0.02 0.00 0.00 175.30 175.86 4ubp s VAL 270 N -2.55 3.35 -0.04 3.52 1.01 -1.26 -4.80 120.40 119.64 4ubp s VAL 270 Ca 0.62 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 4ubp s VAL 270 Cb -0.15 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.46 4ubp s VAL 270 CO 0.37 0.26 0.36 -0.51 0.00 0.00 0.00 175.10 175.59 4ubp s ILE 271 N -0.72 0.04 -0.32 2.22 2.07 -0.83 -4.74 121.20 118.92 4ubp s ILE 271 Ca 0.49 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 59.23 4ubp s ILE 271 Cb -0.34 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 4ubp s ILE 271 CO 0.42 -0.19 0.35 -2.28 -1.91 0.00 0.00 174.94 171.32 4ubp s HIS 272 N -1.09 3.22 -0.53 3.50 5.65 0.57 -0.78 115.29 125.84 4ubp s HIS 272 Ca -0.11 0.09 -0.21 0.00 0.25 0.00 0.00 55.06 55.07 4ubp s HIS 272 Cb -0.04 -2.62 0.05 0.00 -1.18 0.00 0.00 32.58 28.79 4ubp s HIS 272 CO 0.04 -0.36 0.77 0.45 -0.65 0.00 0.00 174.74 175.00 4ubp s SER 273 N 1.72 6.27 0.71 9.88 0.15 -0.13 -0.92 113.70 131.38 4ubp s SER 273 Ca 0.12 -0.70 -0.13 0.00 0.70 0.00 0.00 55.95 55.94 4ubp s SER 273 Cb -0.16 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 4ubp s SER 273 CO 0.11 -1.06 1.10 -0.36 1.20 0.00 0.00 173.24 174.24 4ubp s PHE 274 N 3.23 2.61 -0.38 3.44 0.08 -0.89 -1.00 117.98 125.07 4ubp s PHE 274 Ca 0.22 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.74 4ubp s PHE 274 Cb -0.16 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.19 4ubp s PHE 274 CO 0.15 -1.73 0.23 -2.39 -0.10 0.00 0.00 175.22 171.38 4ubp n HIS 275 N -2.92 -0.60 0.25 0.36 1.44 -0.85 -4.73 115.22 108.18 4ubp n HIS 275 Ca 0.10 0.14 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 4ubp n HIS 275 Cb 0.52 -0.99 0.67 0.00 0.12 0.00 0.00 29.99 30.31 4ubp n HIS 275 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 4ubp h VAL 276 N 0.81 0.61 -0.33 0.61 3.04 -1.12 0.04 116.25 119.92 4ubp h VAL 276 Ca -0.25 -0.63 -0.03 0.00 -1.01 0.00 0.00 66.70 64.77 4ubp h VAL 276 Cb 0.51 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 4ubp h VAL 276 CO 0.16 0.14 0.06 -0.08 -1.01 0.00 0.00 177.57 176.84 4ubp h GLU 277 N 0.00 0.49 0.00 4.17 4.22 -1.85 -2.51 114.58 119.10 4ubp h GLU 277 Ca -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.36 4ubp h GLU 277 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 4ubp h GLU 277 CO 0.02 0.47 0.00 0.41 -2.18 0.00 0.00 179.01 177.73 4ubp n GLY 278 N -1.05 0.33 0.36 1.92 0.00 0.00 -4.38 105.19 102.37 4ubp n GLY 278 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 4ubp n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4ubp h ALA 279 N 0.00 1.41 0.00 4.61 0.00 -1.81 -0.01 119.26 123.45 4ubp h ALA 279 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 4ubp h ALA 279 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 4ubp h ALA 279 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 4ubp n GLY 280 N -1.41 -1.46 0.00 0.00 0.00 -1.26 -4.92 105.19 96.15 4ubp n GLY 280 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 4ubp n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ubp n GLY 281 N 1.42 4.71 0.00 -0.02 0.00 -0.02 -5.01 105.19 106.27 4ubp n GLY 281 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.20 4ubp n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ubp n GLY 282 N -1.81 4.35 2.28 -0.02 0.00 -1.25 -4.38 105.19 104.36 4ubp n GLY 282 Ca 0.00 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 4ubp n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4ubp n HIS 283 N -1.89 1.02 -3.13 1.61 8.25 -1.23 -4.11 115.22 115.74 4ubp n HIS 283 Ca 0.00 0.67 -0.39 0.00 -0.26 0.00 0.00 57.72 57.73 4ubp n HIS 283 Cb 0.00 -1.40 -0.05 0.00 1.12 0.00 0.00 29.99 29.65 4ubp n HIS 283 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 4ubp s ALA 284 N 2.30 3.43 -1.69 -1.41 0.00 -0.92 -1.50 121.76 121.98 4ubp s ALA 284 Ca 0.68 0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.91 4ubp s ALA 284 Cb -0.94 -2.83 0.37 0.00 0.00 0.00 0.00 23.12 19.71 4ubp s ALA 284 CO 0.49 0.09 1.28 -0.35 0.00 0.00 0.00 175.76 177.28 4ubp n PRO 285 N 2.94 2.35 -0.29 0.00 -0.04 -1.26 -4.93 135.00 133.76 4ubp n PRO 285 Ca -0.05 -2.09 0.07 0.00 -0.04 0.00 0.00 63.50 61.39 4ubp n PRO 285 Cb 0.51 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.78 4ubp n PRO 285 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 4ubp n ASP 286 N 1.05 3.38 -0.20 3.54 5.75 -0.96 -4.63 116.55 124.48 4ubp n ASP 286 Ca 0.15 -2.30 0.20 0.00 -0.01 0.00 0.00 54.79 52.84 4ubp n ASP 286 Cb 0.50 -0.35 0.57 0.00 -1.03 0.00 0.00 41.12 40.80 4ubp n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 4ubp h ILE 287 N 2.25 0.67 -0.03 2.12 6.09 -1.56 -1.10 117.51 125.96 4ubp h ILE 287 Ca 0.00 -0.10 0.01 0.00 -1.37 0.00 0.00 64.86 63.40 4ubp h ILE 287 Cb 0.99 0.36 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 4ubp h ILE 287 CO 0.08 0.05 0.10 -0.03 -3.07 0.00 0.00 178.15 175.28 4ubp h MET 288 N 0.29 0.00 0.00 2.19 4.05 -1.65 0.05 114.93 119.86 4ubp h MET 288 Ca 0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 4ubp h MET 288 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 4ubp h MET 288 CO -0.12 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.02 4ubp h ALA 289 N 1.83 1.00 -0.51 0.39 0.00 -1.49 -1.49 119.26 118.99 4ubp h ALA 289 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.03 4ubp h ALA 289 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 4ubp h ALA 289 CO -0.00 0.00 0.35 0.52 0.00 0.00 0.00 179.25 180.12 4ubp h MET 290 N 0.00 0.20 0.00 0.00 2.07 -1.19 -2.20 114.93 113.80 4ubp h MET 290 Ca 0.00 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 4ubp h MET 290 Cb 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 4ubp h MET 290 CO 0.00 0.13 0.00 0.00 1.07 0.00 0.00 176.91 178.11 4ubp n ALA 291 N -2.57 1.71 0.64 6.32 0.00 -0.56 -2.06 120.51 123.99 4ubp n ALA 291 Ca 0.09 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.59 4ubp n ALA 291 Cb 0.44 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.89 4ubp n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4ubp n GLY 292 N -0.10 -1.43 3.85 0.00 0.00 -0.83 -4.78 105.19 101.90 4ubp n GLY 292 Ca 0.05 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 4ubp n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4ubp s HIS 293 N -3.14 3.46 0.26 1.61 4.02 -0.87 -1.98 115.29 118.65 4ubp s HIS 293 Ca 0.07 1.08 0.17 0.00 1.02 0.00 0.00 55.06 57.40 4ubp s HIS 293 Cb 0.14 -2.42 0.71 0.00 -1.02 0.00 0.00 32.58 29.99 4ubp s HIS 293 CO 0.70 0.24 1.77 -1.00 1.02 0.00 0.00 174.74 177.46 4ubp h PRO 294 N 2.68 0.00 -0.20 8.40 0.13 -1.93 -2.74 132.00 138.34 4ubp h PRO 294 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 4ubp h PRO 294 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 4ubp h PRO 294 CO 0.67 0.39 0.00 0.27 -0.23 0.00 0.00 178.00 179.10 4ubp n ASN 295 N -3.72 2.44 -4.67 1.44 6.94 -1.26 -0.45 115.26 115.97 4ubp n ASN 295 Ca -0.01 -1.82 -0.35 0.00 -0.02 0.00 0.00 54.58 52.38 4ubp n ASN 295 Cb 0.48 -0.13 -0.09 0.00 -2.36 0.00 0.00 39.78 37.68 4ubp n ASN 295 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 4ubp s VAL 296 N -1.75 4.80 -0.40 3.53 1.01 -1.03 -1.97 120.40 124.59 4ubp s VAL 296 Ca 0.34 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 4ubp s VAL 296 Cb 0.20 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.51 4ubp s VAL 296 CO 0.29 0.50 0.23 -0.76 0.00 0.00 0.00 175.10 175.37 4ubp s LEU 297 N 0.03 5.00 -0.17 3.92 1.43 0.04 -4.21 118.68 124.73 4ubp s LEU 297 Ca 0.06 -1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 51.63 4ubp s LEU 297 Cb -0.12 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 4ubp s LEU 297 CO 0.01 -0.49 0.22 -2.16 0.23 0.00 0.00 176.35 174.15 4ubp s PRO 298 N 1.43 4.16 0.16 1.29 0.04 -1.26 -0.95 135.00 139.86 4ubp s PRO 298 Ca 0.02 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.10 4ubp s PRO 298 Cb -0.22 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 4ubp s PRO 298 CO 0.03 0.32 -0.17 -1.54 0.04 0.00 0.00 177.00 175.67 4ubp s SER 299 N 0.27 2.51 0.16 6.66 1.04 -0.17 -2.04 113.70 122.13 4ubp s SER 299 Ca 0.13 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.73 4ubp s SER 299 Cb -0.12 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 4ubp s SER 299 CO 0.02 -0.07 0.28 -0.44 0.98 0.00 0.00 173.24 174.00 4ubp s SER 300 N -2.68 6.25 0.49 7.02 0.01 -0.40 -0.76 113.70 123.63 4ubp s SER 300 Ca 0.15 0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.59 4ubp s SER 300 Cb -0.05 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.36 4ubp s SER 300 CO 0.06 0.04 0.68 0.42 0.41 0.00 0.00 173.24 174.84 4ubp s THR 301 N -1.78 2.76 -1.19 1.44 -4.23 -1.26 -1.53 115.64 109.84 4ubp s THR 301 Ca 0.34 -0.86 0.24 0.00 -1.18 0.00 0.00 61.69 60.23 4ubp s THR 301 Cb -0.11 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 4ubp s THR 301 CO 0.28 0.00 1.29 -0.46 -0.54 0.00 0.00 174.62 175.19 4ubp n ASN 302 N -2.10 0.82 0.22 3.99 0.23 -0.95 -4.27 115.26 113.19 4ubp n ASN 302 Ca 0.09 -0.63 0.09 0.00 -0.53 0.00 0.00 54.58 53.60 4ubp n ASN 302 Cb 0.60 0.44 0.47 0.00 -2.08 0.00 0.00 39.78 39.21 4ubp n ASN 302 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 4ubp h PRO 303 N 0.37 0.00 -0.00 -0.53 0.11 -1.82 -1.03 132.00 129.09 4ubp h PRO 303 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 4ubp h PRO 303 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 4ubp h PRO 303 CO 0.00 0.26 -0.07 0.25 -0.21 0.00 0.00 178.00 178.23 4ubp n THR 304 N -3.52 0.00 -3.65 -1.15 -2.24 -1.26 -4.83 114.28 97.63 4ubp n THR 304 Ca -0.00 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 4ubp n THR 304 Cb 0.41 -0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 4ubp n THR 304 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 4ubp s ARG 305 N -2.34 3.84 0.59 -0.78 1.81 -0.39 -3.42 118.95 118.25 4ubp s ARG 305 Ca 0.33 -0.38 -0.01 0.00 -1.72 0.00 0.00 55.73 53.96 4ubp s ARG 305 Cb 0.21 -3.53 0.12 0.00 -0.45 0.00 0.00 34.95 31.29 4ubp s ARG 305 CO 0.44 -0.18 0.80 -0.35 -0.68 0.00 0.00 175.30 175.33 4ubp n PRO 306 N 5.00 -0.00 -2.48 3.54 -0.04 -1.26 -4.81 135.00 134.95 4ubp n PRO 306 Ca -0.15 -2.14 -0.43 0.00 -0.04 0.00 0.00 63.50 60.75 4ubp n PRO 306 Cb 0.52 -0.55 -0.02 0.00 -0.04 0.00 0.00 33.50 33.41 4ubp n PRO 306 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 4ubp s PHE 307 N -2.43 2.92 0.34 0.54 5.36 -1.22 -4.98 117.98 118.51 4ubp s PHE 307 Ca 0.53 1.07 0.05 0.00 -0.96 0.00 0.00 56.93 57.62 4ubp s PHE 307 Cb -0.03 -3.56 -0.07 0.00 -0.34 0.00 0.00 43.02 39.02 4ubp s PHE 307 CO 0.35 -1.44 0.02 0.95 -1.46 0.00 0.00 175.22 173.65 4ubp s THR 308 N 3.65 1.52 0.40 0.12 -4.23 -1.26 -2.39 115.64 113.44 4ubp s THR 308 Ca 0.53 -2.02 0.34 0.00 -1.18 0.00 0.00 61.69 59.36 4ubp s THR 308 Cb -0.19 -2.80 0.37 0.00 1.34 0.00 0.00 72.50 71.22 4ubp s THR 308 CO 0.15 -0.05 2.14 -0.37 -0.54 0.00 0.00 174.62 175.94 4ubp h VAL 309 N 2.04 0.23 -0.01 2.29 -1.51 -1.56 -2.35 116.25 115.38 4ubp h VAL 309 Ca -0.42 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 4ubp h VAL 309 Cb 1.24 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 4ubp h VAL 309 CO 0.73 0.05 -0.55 0.59 -1.23 0.00 0.00 177.57 177.15 4ubp n ASN 310 N -3.31 1.35 0.08 4.19 3.02 -1.26 -4.59 115.26 114.74 4ubp n ASN 310 Ca -0.01 -1.08 -0.13 0.00 -0.03 0.00 0.00 54.58 53.33 4ubp n ASN 310 Cb 0.21 0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 39.81 4ubp n ASN 310 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 4ubp h THR 311 N 1.25 0.28 -0.13 3.41 2.02 -1.80 -1.31 112.91 116.64 4ubp h THR 311 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 4ubp h THR 311 Cb 0.60 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 4ubp h THR 311 CO 0.00 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.32 4ubp h ILE 312 N -0.52 1.19 -0.73 3.11 1.08 -1.81 -0.73 117.51 119.10 4ubp h ILE 312 Ca 0.05 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 4ubp h ILE 312 Cb 0.58 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.62 4ubp h ILE 312 CO -0.25 0.18 0.41 0.44 -0.69 0.00 0.00 178.15 178.24 4ubp h ASP 313 N 0.01 0.58 -0.12 1.72 3.32 -1.84 0.25 116.42 120.35 4ubp h ASP 313 Ca 0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 4ubp h ASP 313 Cb 0.25 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 4ubp h ASP 313 CO 0.00 0.36 0.03 -0.08 -1.72 0.00 0.00 179.24 177.82 4ubp h GLU 314 N 0.72 0.20 -0.32 3.56 4.81 -1.10 -2.71 114.58 119.73 4ubp h GLU 314 Ca 0.34 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 4ubp h GLU 314 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 4ubp h GLU 314 CO -0.22 0.38 -0.12 0.45 -0.73 0.00 0.00 179.01 178.77 4ubp h HIS 315 N -0.02 0.74 -0.16 0.92 3.86 -0.16 0.68 115.15 121.02 4ubp h HIS 315 Ca 0.04 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 4ubp h HIS 315 Cb 0.27 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 4ubp h HIS 315 CO 0.01 0.85 0.02 -0.07 0.86 0.00 0.00 177.93 179.60 4ubp h LEU 316 N 0.41 -0.02 -0.20 2.43 3.38 -0.60 0.25 115.31 120.97 4ubp h LEU 316 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 4ubp h LEU 316 Cb 0.63 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 4ubp h LEU 316 CO 0.04 0.01 0.13 -0.78 0.09 0.00 0.00 178.44 177.93 4ubp h ASP 317 N 0.08 0.23 -0.41 -0.43 3.58 -1.50 -1.89 116.42 116.07 4ubp h ASP 317 Ca 0.07 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.57 4ubp h ASP 317 Cb 0.07 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 4ubp h ASP 317 CO -0.10 0.17 0.09 -0.03 -2.88 0.00 0.00 179.24 176.48 4ubp h MET 318 N 0.26 0.21 -0.41 0.28 4.05 -0.27 0.38 114.93 119.43 4ubp h MET 318 Ca 0.07 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 4ubp h MET 318 Cb -0.02 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 4ubp h MET 318 CO -0.02 0.14 0.26 1.25 0.23 0.00 0.00 176.91 178.77 4ubp h LEU 319 N 0.22 0.43 -0.04 3.39 5.85 -0.44 -0.16 115.31 124.55 4ubp h LEU 319 Ca 0.20 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.93 4ubp h LEU 319 Cb 0.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 4ubp h LEU 319 CO -0.26 0.31 -0.04 0.24 -0.34 0.00 0.00 178.44 178.35 4ubp h MET 320 N 0.52 -0.06 0.23 1.25 2.86 -0.59 -0.33 114.93 118.81 4ubp h MET 320 Ca 0.15 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 4ubp h MET 320 Cb -0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 4ubp h MET 320 CO -0.05 -0.04 -0.36 0.28 1.06 0.00 0.00 176.91 177.81 4ubp h VAL 321 N -0.06 0.26 0.00 -2.22 2.07 -0.70 0.10 116.25 115.71 4ubp h VAL 321 Ca 0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 4ubp h VAL 321 Cb 0.11 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 4ubp h VAL 321 CO -0.08 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.17 4ubp n HIS 323 N -4.08 0.24 -3.68 0.00 8.25 -0.15 -4.97 115.22 110.85 4ubp n HIS 323 Ca -0.02 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 57.10 4ubp n HIS 323 Cb 0.39 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.54 4ubp n HIS 323 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 4ubp n HIS 324 N 1.39 -2.09 -3.13 4.41 8.25 0.18 -4.95 115.22 119.28 4ubp n HIS 324 Ca 0.16 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 58.11 4ubp n HIS 324 Cb 0.59 -4.51 -0.06 0.00 1.12 0.00 0.00 29.99 27.14 4ubp n HIS 324 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 4ubp s LEU 325 N -6.75 4.51 -0.07 2.41 1.43 -0.13 -5.03 118.68 115.05 4ubp s LEU 325 Ca 0.14 1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 4ubp s LEU 325 Cb -0.07 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 4ubp s LEU 325 CO 0.79 0.18 0.19 -0.54 0.23 0.00 0.00 176.35 177.20 4ubp s LYS 326 N -0.78 3.49 0.00 1.70 3.01 -1.26 -4.75 119.74 121.15 4ubp s LYS 326 Ca 0.33 -0.14 0.18 0.00 -1.01 0.00 0.00 55.97 55.33 4ubp s LYS 326 Cb -0.20 -3.15 1.08 0.00 -1.01 0.00 0.00 37.83 34.54 4ubp s LYS 326 CO 0.21 0.73 1.61 1.04 0.51 0.00 0.00 175.35 179.45 4ubp n GLN 327 N 1.58 0.88 -0.06 1.68 6.02 -1.26 -2.84 117.38 123.38 4ubp n GLN 327 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.61 4ubp n GLN 327 Cb 0.54 -1.32 -0.12 0.00 1.02 0.00 0.00 30.24 30.35 4ubp n GLN 327 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 4ubp h ASN 328 N 0.00 0.15 -3.64 1.08 -0.26 -2.01 -3.46 115.58 107.44 4ubp h ASN 328 Ca 0.00 -0.66 -0.58 0.00 -0.56 0.00 0.00 56.30 54.49 4ubp h ASN 328 Cb 0.00 -0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.12 4ubp h ASN 328 CO 0.00 1.62 0.72 -0.63 -1.06 0.00 0.00 177.43 178.09 4ubp s ILE 329 N -2.43 4.39 0.31 2.81 1.01 -1.13 -4.92 121.20 121.24 4ubp s ILE 329 Ca -0.26 1.03 0.08 0.00 0.00 0.00 0.00 60.65 61.49 4ubp s ILE 329 Cb 0.06 -4.48 0.31 0.00 0.01 0.00 0.00 42.46 38.36 4ubp s ILE 329 CO 0.66 -0.84 1.75 -0.65 0.00 0.00 0.00 174.94 175.85 4ubp h PRO 330 N 9.00 0.64 -0.77 2.79 0.11 -1.88 -0.06 132.00 141.83 4ubp h PRO 330 Ca -0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 4ubp h PRO 330 Cb 1.07 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 4ubp h PRO 330 CO 1.06 0.42 0.32 0.93 -0.21 0.00 0.00 178.00 180.52 4ubp h GLU 331 N 0.66 1.15 -0.35 1.05 3.07 -1.94 0.12 114.58 118.34 4ubp h GLU 331 Ca 0.62 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 59.18 4ubp h GLU 331 Cb 1.09 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 4ubp h GLU 331 CO -0.44 0.92 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.51 4ubp h ASP 332 N 1.12 0.74 -0.52 1.42 3.32 -1.31 0.40 116.42 121.58 4ubp h ASP 332 Ca 0.26 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 4ubp h ASP 332 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 4ubp h ASP 332 CO -0.02 0.97 0.09 0.58 -1.72 0.00 0.00 179.24 179.14 4ubp h VAL 333 N 0.50 1.25 -0.72 -1.35 2.07 -1.12 -0.26 116.25 116.62 4ubp h VAL 333 Ca 0.08 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 4ubp h VAL 333 Cb 0.69 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 4ubp h VAL 333 CO 0.05 0.33 0.24 0.00 0.02 0.00 0.00 177.57 178.22 4ubp h ALA 334 N 0.99 0.94 -0.29 1.67 0.00 -0.70 -0.36 119.26 121.51 4ubp h ALA 334 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 4ubp h ALA 334 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 4ubp h ALA 334 CO 0.01 0.61 0.17 0.35 0.00 0.00 0.00 179.25 180.39 4ubp h PHE 335 N 1.06 0.38 -0.34 0.00 3.57 -0.57 -0.63 116.94 120.40 4ubp h PHE 335 Ca 0.24 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 4ubp h PHE 335 Cb 0.28 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 4ubp h PHE 335 CO 0.02 0.29 0.20 0.00 -2.23 0.00 0.00 178.31 176.59 4ubp h ALA 336 N 1.06 0.44 -0.17 2.41 0.00 -0.70 -2.29 119.26 120.00 4ubp h ALA 336 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 4ubp h ALA 336 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 4ubp h ALA 336 CO -0.02 -0.04 0.08 -0.44 0.00 0.00 0.00 179.25 178.83 4ubp h ASP 337 N 0.44 0.20 1.54 0.00 3.32 -0.86 -1.62 116.42 119.44 4ubp h ASP 337 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 4ubp h ASP 337 Cb 0.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.54 4ubp h ASP 337 CO -0.02 0.18 0.00 0.77 -1.72 0.00 0.00 179.24 178.44 4ubp h SER 338 N 0.23 0.00 0.00 6.45 4.64 -0.59 -3.37 113.55 120.91 4ubp h SER 338 Ca 0.06 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.00 4ubp h SER 338 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 4ubp h SER 338 CO -0.01 0.00 -2.44 -1.14 -0.87 0.00 0.00 176.83 172.37 4ubp n ARG 339 N -2.82 0.67 -3.59 4.77 0.63 -0.72 -4.59 116.66 111.02 4ubp n ARG 339 Ca 0.03 0.08 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 4ubp n ARG 339 Cb 0.43 -1.52 -0.10 0.00 0.45 0.00 0.00 32.46 31.72 4ubp n ARG 339 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 4ubp s ILE 340 N -2.51 4.39 -0.13 5.15 -1.09 -0.69 -3.94 121.20 122.38 4ubp s ILE 340 Ca -0.24 -1.24 -0.01 0.00 -2.23 0.00 0.00 60.65 56.93 4ubp s ILE 340 Cb 0.08 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.37 4ubp s ILE 340 CO 0.70 -0.44 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.79 4ubp s ARG 341 N 1.47 1.26 0.49 2.79 0.52 -1.26 -4.75 118.95 119.47 4ubp s ARG 341 Ca 0.03 -0.28 0.17 0.00 -0.52 0.00 0.00 55.73 55.13 4ubp s ARG 341 Cb -0.22 -1.63 1.19 0.00 0.52 0.00 0.00 34.95 34.81 4ubp s ARG 341 CO 0.04 -0.35 2.06 -1.00 0.02 0.00 0.00 175.30 176.07 4ubp h PRO 342 N 8.19 0.16 -0.67 3.54 0.13 -1.97 -2.25 132.00 139.14 4ubp h PRO 342 Ca -0.25 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 4ubp h PRO 342 Cb 1.12 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 4ubp h PRO 342 CO 0.37 0.11 0.13 0.93 -0.23 0.00 0.00 178.00 179.31 4ubp h GLU 343 N 0.17 1.09 0.00 0.86 3.07 -1.92 -0.41 114.58 117.44 4ubp h GLU 343 Ca 0.15 -0.27 -0.25 0.00 -0.50 0.00 0.00 59.36 58.48 4ubp h GLU 343 Cb 0.36 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 4ubp h GLU 343 CO -0.02 0.98 -1.33 1.79 -1.40 0.00 0.00 179.01 179.03 4ubp h THR 344 N 1.03 1.32 -0.33 1.13 1.35 -1.70 -2.77 112.91 112.94 4ubp h THR 344 Ca 0.21 -3.09 -0.10 0.00 -0.55 0.00 0.00 66.41 62.87 4ubp h THR 344 Cb 0.40 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 4ubp h THR 344 CO 0.01 0.75 -0.19 0.40 -0.25 0.00 0.00 175.52 176.24 4ubp h ILE 345 N 0.00 1.29 -0.55 6.82 2.04 -1.28 -0.24 117.51 125.58 4ubp h ILE 345 Ca -0.14 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 4ubp h ILE 345 Cb 1.88 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 4ubp h ILE 345 CO 0.11 0.43 0.17 0.00 0.00 0.00 0.00 178.15 178.85 4ubp h ALA 346 N 0.76 0.72 -0.14 1.87 0.00 -1.16 -2.47 119.26 118.83 4ubp h ALA 346 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 4ubp h ALA 346 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 4ubp h ALA 346 CO 0.05 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.46 4ubp h ALA 347 N 1.03 1.36 -0.75 0.00 0.00 -1.30 -2.59 119.26 117.01 4ubp h ALA 347 Ca 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.87 4ubp h ALA 347 Cb 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 4ubp h ALA 347 CO -0.00 0.44 0.44 1.49 0.00 0.00 0.00 179.25 181.62 4ubp h GLU 348 N 0.22 0.78 -0.27 0.00 4.81 -0.57 0.30 114.58 119.85 4ubp h GLU 348 Ca 0.04 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 4ubp h GLU 348 Cb 0.53 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 4ubp h GLU 348 CO 0.04 0.51 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.27 4ubp h ASP 349 N 0.80 -0.42 -0.46 1.04 3.32 -1.28 -1.18 116.42 118.25 4ubp h ASP 349 Ca 0.33 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.38 4ubp h ASP 349 Cb 0.19 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 4ubp h ASP 349 CO -0.18 -0.16 -0.09 0.40 -1.72 0.00 0.00 179.24 177.49 4ubp h ILE 350 N -0.08 1.26 -0.23 0.35 2.04 -1.27 -2.06 117.51 117.51 4ubp h ILE 350 Ca 0.14 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 4ubp h ILE 350 Cb 0.30 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 4ubp h ILE 350 CO -0.33 0.42 -0.11 -0.07 0.00 0.00 0.00 178.15 178.07 4ubp h LEU 351 N 0.83 0.36 -0.49 1.44 3.38 -0.22 0.08 115.31 120.69 4ubp h LEU 351 Ca 0.14 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 4ubp h LEU 351 Cb 0.62 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 4ubp h LEU 351 CO 0.04 0.50 0.03 0.45 0.09 0.00 0.00 178.44 179.55 4ubp h HIS 352 N 0.35 0.91 -0.09 1.13 3.86 -0.86 -0.36 115.15 120.10 4ubp h HIS 352 Ca 0.07 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 4ubp h HIS 352 Cb 0.41 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 4ubp h HIS 352 CO 0.01 0.85 -0.23 0.22 0.86 0.00 0.00 177.93 179.64 4ubp h ASP 353 N 0.70 0.14 0.41 2.45 3.58 -0.50 -2.03 116.42 121.17 4ubp h ASP 353 Ca 0.14 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.55 4ubp h ASP 353 Cb 0.47 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.48 4ubp h ASP 353 CO 0.02 0.38 -0.11 0.18 -2.88 0.00 0.00 179.24 176.83 4ubp n LEU 354 N -4.21 0.42 -0.11 2.28 4.77 -0.11 -4.94 117.00 115.10 4ubp n LEU 354 Ca -0.01 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 4ubp n LEU 354 Cb 0.33 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 4ubp n LEU 354 CO 0.38 0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 4ubp n GLY 355 N 1.30 0.44 0.09 -0.72 0.00 -0.76 -4.80 105.19 100.73 4ubp n GLY 355 Ca 0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 4ubp n GLY 355 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4ubp n ILE 356 N -3.20 1.42 -3.77 -0.61 5.41 -0.17 -2.57 119.36 115.88 4ubp n ILE 356 Ca -0.01 -0.79 -0.36 0.00 1.00 0.00 0.00 62.75 62.58 4ubp n ILE 356 Cb 0.15 -0.78 -0.11 0.00 -0.71 0.00 0.00 39.64 38.19 4ubp n ILE 356 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 4ubp s ILE 357 N -2.64 4.82 -0.52 1.39 1.01 -1.04 -4.80 121.20 119.41 4ubp s ILE 357 Ca -0.06 -0.01 0.23 0.00 0.00 0.00 0.00 60.65 60.81 4ubp s ILE 357 Cb 0.08 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.18 4ubp s ILE 357 CO 0.83 0.35 0.97 -1.20 0.00 0.00 0.00 174.94 175.88 4ubp n SER 358 N 4.50 0.58 -4.05 3.58 7.64 -0.87 -4.62 113.62 120.39 4ubp n SER 358 Ca -0.16 -0.15 -0.08 0.00 1.01 0.00 0.00 58.87 59.50 4ubp n SER 358 Cb 0.52 0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 64.51 4ubp n SER 358 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 4ubp s MET 359 N -3.25 0.54 0.33 1.43 -1.94 -1.04 -4.10 119.30 111.28 4ubp s MET 359 Ca 0.02 -1.06 0.10 0.00 -1.71 0.00 0.00 55.69 53.04 4ubp s MET 359 Cb 0.14 0.19 -0.06 0.00 2.01 0.00 0.00 34.83 37.11 4ubp s MET 359 CO 0.81 -0.10 -0.06 -1.64 -0.01 0.00 0.00 175.02 174.02 4ubp s MET 360 N -3.30 1.94 0.17 2.03 1.00 -0.06 -1.27 119.30 119.80 4ubp s MET 360 Ca 0.01 -1.80 -0.24 0.00 0.00 0.00 0.00 55.69 53.66 4ubp s MET 360 Cb 0.03 -1.84 0.06 0.00 0.00 0.00 0.00 34.83 33.09 4ubp s MET 360 CO -0.08 0.18 0.96 -1.54 0.00 0.00 0.00 175.02 174.54 4ubp s SER 361 N -3.64 -0.15 -0.20 3.03 1.04 -0.59 -4.71 113.70 108.47 4ubp s SER 361 Ca 0.33 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 4ubp s SER 361 Cb -0.00 0.50 -0.14 0.00 0.10 0.00 0.00 66.02 66.48 4ubp s SER 361 CO 0.18 -0.94 0.03 0.35 0.98 0.00 0.00 173.24 173.83 4ubp n THR 362 N -0.50 1.51 -2.32 2.02 -2.24 -1.26 -2.24 114.28 109.26 4ubp n THR 362 Ca -0.06 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 4ubp n THR 362 Cb 0.60 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 4ubp n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 4ubp n ASP 363 N -4.44 -2.72 -4.69 3.42 2.03 0.16 -2.73 116.55 107.58 4ubp n ASP 363 Ca -0.30 -0.05 -0.65 0.00 0.52 0.00 0.00 54.79 54.31 4ubp n ASP 363 Cb 0.62 -1.85 -0.09 0.00 -0.72 0.00 0.00 41.12 39.08 4ubp n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4ubp n ALA 364 N -1.84 -1.83 -0.75 -1.67 0.00 -1.13 -1.61 120.51 111.68 4ubp n ALA 364 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.90 4ubp n ALA 364 Cb 0.55 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.10 4ubp n ALA 364 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 4ubp n LEU 365 N 3.47 0.56 -0.06 0.00 4.77 -0.27 -3.08 117.00 122.37 4ubp n LEU 365 Ca 0.28 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 4ubp n LEU 365 Cb -0.01 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.11 4ubp n LEU 365 CO 0.82 -0.30 -0.92 0.00 -1.33 0.00 0.00 177.39 175.66 4ubp n ALA 366 N 1.00 1.72 -2.67 -1.18 0.00 -0.63 -4.87 120.51 113.87 4ubp n ALA 366 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 52.80 4ubp n ALA 366 Cb 0.02 0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.67 4ubp n ALA 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 4ubp n MET 367 N -2.79 0.34 -3.60 0.00 1.56 -1.01 -5.01 117.12 106.60 4ubp n MET 367 Ca -0.22 -0.90 -0.03 0.00 -0.27 0.00 0.00 57.70 56.28 4ubp n MET 367 Cb 0.77 -0.11 -0.01 0.00 2.15 0.00 0.00 33.22 36.02 4ubp n MET 367 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 4ubp s GLY 368 N -0.36 -0.34 -0.21 -5.12 0.00 -0.82 -4.48 107.32 95.99 4ubp s GLY 368 Ca 0.11 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.05 4ubp s GLY 368 CO -0.08 0.38 -0.09 0.50 0.00 0.00 0.00 173.10 173.81 4ubp s ARG 369 N -2.47 3.18 0.59 2.90 0.52 -1.23 -1.12 118.95 121.32 4ubp s ARG 369 Ca 0.11 -0.74 0.30 0.00 -0.52 0.00 0.00 55.73 54.87 4ubp s ARG 369 Cb 0.01 -2.89 1.80 0.00 0.52 0.00 0.00 34.95 34.39 4ubp s ARG 369 CO -0.04 -0.24 2.23 0.00 0.02 0.00 0.00 175.30 177.27 4ubp h ALA 370 N 8.05 1.58 -0.24 2.13 0.00 -1.91 -2.24 119.26 126.63 4ubp h ALA 370 Ca -0.41 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 4ubp h ALA 370 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 4ubp h ALA 370 CO 0.61 -0.06 -0.02 0.41 0.00 0.00 0.00 179.25 180.18 4ubp n GLY 371 N -1.34 4.39 0.06 0.00 0.00 -1.26 -4.07 105.19 102.98 4ubp n GLY 371 Ca -0.02 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 44.91 4ubp n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 4ubp n GLU 372 N -0.81 1.52 -0.03 1.61 1.02 -0.84 -4.67 120.64 118.45 4ubp n GLU 372 Ca 0.23 -1.33 -0.12 0.00 -0.02 0.00 0.00 57.16 55.93 4ubp n GLU 372 Cb 0.88 -0.88 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 4ubp n GLU 372 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 4ubp h MET 373 N 0.00 0.16 -0.01 3.49 4.05 -1.82 -1.35 114.93 119.45 4ubp h MET 373 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 4ubp h MET 373 Cb 0.82 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 4ubp h MET 373 CO 0.00 0.42 -0.00 0.28 0.23 0.00 0.00 176.91 177.84 4ubp h VAL 374 N -0.12 1.28 -0.51 -5.77 2.07 -1.87 -2.38 116.25 108.95 4ubp h VAL 374 Ca 0.03 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 66.80 4ubp h VAL 374 Cb 0.35 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 4ubp h VAL 374 CO 0.00 0.22 -0.35 0.25 0.02 0.00 0.00 177.57 177.72 4ubp h LEU 375 N -0.33 -1.18 -0.74 2.57 5.85 -1.55 -2.11 115.31 117.82 4ubp h LEU 375 Ca 0.00 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 4ubp h LEU 375 Cb 0.36 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 4ubp h LEU 375 CO 0.00 -0.32 -0.26 0.03 -0.34 0.00 0.00 178.44 177.55 4ubp h ARG 376 N -0.21 0.00 0.06 1.25 3.08 -1.23 -1.93 114.38 115.40 4ubp h ARG 376 Ca 0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.26 4ubp h ARG 376 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 4ubp h ARG 376 CO -0.62 0.26 -0.13 1.15 -1.07 0.00 0.00 179.97 179.56 4ubp h THR 377 N 0.00 0.70 -0.34 2.04 2.02 -0.84 -0.72 112.91 115.77 4ubp h THR 377 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 4ubp h THR 377 Cb 0.92 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 4ubp h THR 377 CO 0.03 0.00 -0.36 -0.50 0.37 0.00 0.00 175.52 175.07 4ubp h TRP 378 N -0.24 0.93 -0.74 3.16 4.06 -1.23 -1.47 115.95 120.41 4ubp h TRP 378 Ca 0.02 -0.26 0.05 0.00 2.06 0.00 0.00 58.89 60.76 4ubp h TRP 378 Cb 0.27 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.17 4ubp h TRP 378 CO -0.15 1.03 0.45 1.96 -3.56 0.00 0.00 178.44 178.17 4ubp h GLN 379 N 0.66 0.83 -0.34 0.49 4.20 -1.27 -1.01 115.11 118.67 4ubp h GLN 379 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 4ubp h GLN 379 Cb 0.91 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 4ubp h GLN 379 CO 0.08 0.55 0.14 1.15 -0.67 0.00 0.00 178.83 180.08 4ubp h THR 380 N 0.86 1.18 -0.62 -0.54 2.02 -0.85 -1.25 112.91 113.71 4ubp h THR 380 Ca 0.31 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 4ubp h THR 380 Cb 0.10 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 4ubp h THR 380 CO -0.14 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.25 4ubp h ALA 381 N 0.98 1.38 -0.54 6.16 0.00 -0.96 -0.18 119.26 126.11 4ubp h ALA 381 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 4ubp h ALA 381 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 4ubp h ALA 381 CO -0.01 0.49 -0.02 0.22 0.00 0.00 0.00 179.25 179.93 4ubp h ASP 382 N 0.87 0.95 -0.52 0.00 3.58 -1.11 -0.13 116.42 120.07 4ubp h ASP 382 Ca 0.22 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 4ubp h ASP 382 Cb 0.07 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 4ubp h ASP 382 CO -0.03 1.04 0.09 0.50 -2.88 0.00 0.00 179.24 177.96 4ubp h LYS 383 N 0.85 0.85 -0.72 0.28 3.64 -0.49 -2.04 116.57 118.93 4ubp h LYS 383 Ca 0.15 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 4ubp h LYS 383 Cb 0.56 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 4ubp h LYS 383 CO 0.03 0.84 0.20 0.52 -2.27 0.00 0.00 179.45 178.77 4ubp h MET 384 N 0.74 1.14 -0.14 1.90 2.86 -0.78 -0.40 114.93 120.25 4ubp h MET 384 Ca 0.16 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 4ubp h MET 384 Cb 0.39 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 4ubp h MET 384 CO 0.01 0.99 0.07 -0.22 1.06 0.00 0.00 176.91 178.81 4ubp h LYS 385 N 1.08 0.14 -0.73 1.72 3.64 -0.68 0.44 116.57 122.19 4ubp h LYS 385 Ca 0.23 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 4ubp h LYS 385 Cb 0.34 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 4ubp h LYS 385 CO -0.00 0.09 0.38 0.87 -2.27 0.00 0.00 179.45 178.52 4ubp h LYS 386 N 0.15 1.04 0.00 1.90 1.57 -1.03 -0.13 116.57 120.06 4ubp h LYS 386 Ca 0.05 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 4ubp h LYS 386 Cb 0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 4ubp h LYS 386 CO -0.04 0.79 -1.29 1.96 -0.57 0.00 0.00 179.45 180.31 4ubp h GLN 387 N 1.02 0.00 0.00 3.15 4.20 -0.85 -3.39 115.11 119.23 4ubp h GLN 387 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 4ubp h GLN 387 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 4ubp h GLN 387 CO -0.04 0.34 -0.56 0.54 -0.67 0.00 0.00 178.83 178.44 4ubp n ARG 388 N -2.95 3.67 0.00 1.46 1.74 0.15 -5.07 116.66 115.65 4ubp n ARG 388 Ca -0.08 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 4ubp n ARG 388 Cb 0.84 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 4ubp n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4ubp n GLY 389 N 1.46 -1.20 3.54 -0.13 0.00 -0.06 -4.90 105.19 103.90 4ubp n GLY 389 Ca 0.00 -1.58 -0.46 0.00 0.00 0.00 0.00 46.02 43.98 4ubp n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 4ubp n PRO 390 N -0.84 0.99 -1.29 1.61 -0.02 -1.26 -4.64 135.00 129.55 4ubp n PRO 390 Ca 0.00 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 4ubp n PRO 390 Cb 0.00 -1.63 0.10 0.00 -0.02 0.00 0.00 33.50 31.95 4ubp n PRO 390 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 4ubp s LEU 391 N 1.11 3.16 0.55 2.45 1.43 -1.26 -4.89 118.68 121.22 4ubp s LEU 391 Ca 0.61 2.13 0.23 0.00 -1.03 0.00 0.00 54.13 56.07 4ubp s LEU 391 Cb -0.77 -4.56 1.52 0.00 0.03 0.00 0.00 46.19 42.41 4ubp s LEU 391 CO 0.59 -2.28 2.19 0.00 0.23 0.00 0.00 176.35 177.07 4ubp h ALA 392 N -0.78 1.72 0.00 4.21 0.00 -1.97 -2.57 119.26 119.87 4ubp h ALA 392 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 4ubp h ALA 392 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 4ubp h ALA 392 CO 0.49 0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.15 4ubp n GLU 393 N -4.16 0.12 -1.05 0.00 4.71 -1.26 -4.90 120.64 114.11 4ubp n GLU 393 Ca -0.03 0.08 -0.29 0.00 -0.01 0.00 0.00 57.16 56.91 4ubp n GLU 393 Cb 0.10 -1.50 0.21 0.00 -1.01 0.00 0.00 31.44 29.24 4ubp n GLU 393 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 4ubp s GLU 394 N -2.85 -0.32 0.00 3.49 0.41 -0.97 -4.92 118.70 113.54 4ubp s GLU 394 Ca 0.15 0.36 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 4ubp s GLU 394 Cb 0.16 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 4ubp s GLU 394 CO 0.41 -3.20 0.00 1.63 -0.49 0.00 0.00 175.26 173.61 4ubp n LYS 395 N -4.48 0.00 0.00 1.61 5.02 -1.26 -5.05 118.16 114.01 4ubp n LYS 395 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 4ubp n LYS 395 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 4ubp n LYS 395 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 4ubp n ASN 396 N -0.21 0.00 -2.02 4.39 4.05 -1.26 -4.71 115.26 115.51 4ubp n ASN 396 Ca 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.99 4ubp n ASN 396 Cb 0.00 0.00 0.33 0.00 1.23 0.00 0.00 39.78 41.34 4ubp n ASN 396 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 4ubp n GLY 397 N 1.72 3.52 3.92 8.20 0.00 -1.26 -4.98 105.19 116.31 4ubp n GLY 397 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 4ubp n GLY 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4ubp s SER 398 N -0.96 6.40 -0.34 1.61 1.04 -1.26 -4.85 113.70 115.34 4ubp s SER 398 Ca 0.55 0.45 0.09 0.00 0.48 0.00 0.00 55.95 57.53 4ubp s SER 398 Cb 0.44 -2.03 0.67 0.00 0.10 0.00 0.00 66.02 65.20 4ubp s SER 398 CO 0.14 -0.07 1.75 0.47 0.98 0.00 0.00 173.24 176.51 4ubp n ASP 399 N -0.71 4.11 -0.31 7.02 8.00 0.49 -4.45 116.55 130.71 4ubp n ASP 399 Ca -0.04 -3.39 0.03 0.00 0.71 0.00 0.00 54.79 52.10 4ubp n ASP 399 Cb 0.54 -0.73 0.17 0.00 -0.02 0.00 0.00 41.12 41.07 4ubp n ASP 399 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 4ubp h ASN 400 N 1.92 0.77 -0.20 -2.24 4.21 -1.95 0.74 115.58 118.82 4ubp h ASN 400 Ca 0.33 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.86 4ubp h ASN 400 Cb 2.28 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 39.36 4ubp h ASN 400 CO 0.73 0.45 0.07 0.15 -1.29 0.00 0.00 177.43 177.54 4ubp h PHE 401 N 0.88 0.32 -0.74 1.19 3.04 -1.91 -0.25 116.94 119.47 4ubp h PHE 401 Ca 0.41 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.31 4ubp h PHE 401 Cb 0.32 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 4ubp h PHE 401 CO -0.04 0.38 0.41 -0.09 -2.02 0.00 0.00 178.31 176.94 4ubp h ARG 402 N 0.17 1.03 -0.68 1.11 2.43 -1.85 -0.44 114.38 116.13 4ubp h ARG 402 Ca 0.07 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 4ubp h ARG 402 Cb 0.20 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 4ubp h ARG 402 CO -0.00 0.76 0.23 -0.07 -1.51 0.00 0.00 179.97 179.37 4ubp h LEU 403 N 1.02 0.96 -0.25 3.80 3.38 -0.56 -0.10 115.31 123.56 4ubp h LEU 403 Ca 0.26 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 4ubp h LEU 403 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 4ubp h LEU 403 CO -0.04 0.88 -0.77 0.11 0.09 0.00 0.00 178.44 178.72 4ubp h LYS 404 N 1.00 0.64 -0.69 1.13 1.57 -0.71 0.75 116.57 120.26 4ubp h LYS 404 Ca 0.22 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 4ubp h LYS 404 Cb 0.26 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 4ubp h LYS 404 CO -0.01 1.15 0.45 -0.09 -0.57 0.00 0.00 179.45 180.38 4ubp h ARG 405 N 0.44 0.92 0.22 3.15 2.43 -0.58 -2.74 114.38 118.21 4ubp h ARG 405 Ca -0.05 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 58.75 4ubp h ARG 405 Cb 1.37 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 30.75 4ubp h ARG 405 CO 0.15 0.62 -1.41 1.88 -1.51 0.00 0.00 179.97 179.69 4ubp h TYR 406 N 0.94 0.83 -0.14 2.20 -1.99 -0.90 -3.25 116.97 114.66 4ubp h TYR 406 Ca 0.25 -0.61 -0.02 0.00 2.00 0.00 0.00 58.73 60.36 4ubp h TYR 406 Cb -0.09 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 4ubp h TYR 406 CO -0.02 1.48 0.02 -0.24 -0.00 0.00 0.00 178.16 179.39 4ubp h VAL 407 N 0.12 1.09 -0.07 -2.88 3.04 -0.85 -1.35 116.25 115.36 4ubp h VAL 407 Ca -0.22 -0.32 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 4ubp h VAL 407 Cb 2.11 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 4ubp h VAL 407 CO 0.25 0.11 -0.09 0.28 -1.01 0.00 0.00 177.57 177.12 4ubp h SER 408 N 0.20 0.09 0.47 3.17 0.02 -1.52 -2.79 113.55 113.18 4ubp h SER 408 Ca 0.05 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 4ubp h SER 408 Cb 0.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 4ubp h SER 408 CO 0.00 0.19 -0.25 0.11 -1.14 0.00 0.00 176.83 175.74 4ubp h LYS 409 N 0.09 0.00 -0.07 3.45 1.57 -1.30 -1.63 116.57 118.69 4ubp h LYS 409 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 4ubp h LYS 409 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 4ubp h LYS 409 CO 0.01 0.25 0.00 2.48 -0.57 0.00 0.00 179.45 181.62 4ubp n TYR 410 N -3.80 0.09 0.00 -1.35 0.18 -1.07 -0.88 117.16 110.33 4ubp n TYR 410 Ca -0.01 -0.45 0.00 0.00 1.88 0.00 0.00 57.90 59.32 4ubp n TYR 410 Cb 0.34 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 4ubp n TYR 410 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 4ubp n THR 411 N -0.23 0.00 0.07 -3.48 -2.24 -1.09 -0.64 114.28 106.67 4ubp n THR 411 Ca 0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 4ubp n THR 411 Cb 0.27 -0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.12 4ubp n THR 411 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 4ubp h ILE 412 N 0.00 1.40 -0.39 2.28 6.09 -1.23 -3.17 117.51 122.49 4ubp h ILE 412 Ca 0.00 -2.51 -0.03 0.00 -1.37 0.00 0.00 64.86 60.95 4ubp h ILE 412 Cb 0.00 2.50 -0.02 0.00 0.47 0.00 0.00 36.82 39.77 4ubp h ILE 412 CO 0.00 0.75 0.11 0.78 -3.07 0.00 0.00 178.15 176.72 4ubp h ASN 413 N 0.23 0.57 -0.76 2.19 2.35 -1.59 0.18 115.58 118.75 4ubp h ASN 413 Ca -0.10 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 4ubp h ASN 413 Cb 1.66 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 4ubp h ASN 413 CO 0.18 0.64 0.35 -0.65 -1.65 0.00 0.00 177.43 176.29 4ubp h PRO 414 N 0.48 1.11 -0.44 0.81 0.11 -1.78 0.07 132.00 132.36 4ubp h PRO 414 Ca 0.12 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 4ubp h PRO 414 Cb 0.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 4ubp h PRO 414 CO -0.00 0.87 0.24 0.00 -0.21 0.00 0.00 178.00 178.90 4ubp h ALA 415 N 1.28 0.57 -0.46 -0.75 0.00 -1.40 -1.82 119.26 116.68 4ubp h ALA 415 Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 4ubp h ALA 415 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 4ubp h ALA 415 CO -0.03 0.10 0.10 0.82 0.00 0.00 0.00 179.25 180.24 4ubp h ILE 416 N 0.58 1.24 -0.90 0.00 2.04 -0.48 -0.65 117.51 119.34 4ubp h ILE 416 Ca 0.16 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.24 4ubp h ILE 416 Cb 0.06 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 4ubp h ILE 416 CO -0.02 0.30 0.56 0.00 0.00 0.00 0.00 178.15 178.98 4ubp h ALA 417 N 0.97 1.25 -0.01 1.87 0.00 -0.77 -2.39 119.26 120.18 4ubp h ALA 417 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 4ubp h ALA 417 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4ubp h ALA 417 CO 0.00 0.29 -0.19 0.94 0.00 0.00 0.00 179.25 180.29 4ubp n GLN 418 N -4.61 0.71 -1.89 0.00 -0.06 -0.70 -4.71 117.38 106.11 4ubp n GLN 418 Ca 0.14 -0.34 -0.00 0.00 -2.00 0.00 0.00 57.00 54.80 4ubp n GLN 418 Cb 0.20 -1.49 -0.00 0.00 -4.06 0.00 0.00 30.24 24.89 4ubp n GLN 418 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 4ubp n GLY 419 N 1.32 0.37 0.01 1.69 0.00 -0.84 -4.61 105.19 103.13 4ubp n GLY 419 Ca 0.13 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.25 4ubp n GLY 419 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 4ubp n ILE 420 N -3.89 0.86 0.73 -0.61 -5.35 -0.31 -1.40 119.36 109.39 4ubp n ILE 420 Ca -0.00 -0.89 0.09 0.00 -0.27 0.00 0.00 62.75 61.68 4ubp n ILE 420 Cb 0.45 0.54 0.42 0.00 -1.74 0.00 0.00 39.64 39.31 4ubp n ILE 420 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 4ubp n ALA 421 N -0.47 1.90 0.23 -1.28 0.00 -1.02 -1.33 120.51 118.55 4ubp n ALA 421 Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.48 4ubp n ALA 421 Cb 0.33 -1.30 0.54 0.00 0.00 0.00 0.00 19.45 19.02 4ubp n ALA 421 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 4ubp h HIS 422 N 0.00 0.00 0.00 0.00 2.07 -1.90 -3.36 115.15 111.96 4ubp h HIS 422 Ca 0.00 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.19 4ubp h HIS 422 Cb 0.26 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.19 4ubp h HIS 422 CO 0.00 0.22 -2.19 0.39 -3.07 0.00 0.00 177.93 173.28 4ubp n GLU 423 N -3.57 0.51 -4.35 5.12 -0.58 -0.44 -4.67 120.64 112.66 4ubp n GLU 423 Ca -0.01 0.14 -0.21 0.00 -0.42 0.00 0.00 57.16 56.66 4ubp n GLU 423 Cb 0.36 -1.38 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 4ubp n GLU 423 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 4ubp s VAL 424 N -2.41 0.19 0.00 2.62 -7.23 -0.79 -0.38 120.40 112.40 4ubp s VAL 424 Ca -0.29 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 4ubp s VAL 424 Cb 0.08 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.57 4ubp s VAL 424 CO 0.46 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 4ubp n GLY 425 N -0.69 0.37 3.48 2.32 0.00 -1.26 -4.22 105.19 105.19 4ubp n GLY 425 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 4ubp n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4ubp s SER 426 N -2.74 -0.44 -0.96 1.61 1.04 -1.26 -1.61 113.70 109.34 4ubp s SER 426 Ca 0.00 0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.28 4ubp s SER 426 Cb 0.00 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.71 4ubp s SER 426 CO 0.00 -0.73 1.16 -0.63 0.98 0.00 0.00 173.24 174.02 4ubp s ILE 427 N -3.21 4.75 0.02 -1.02 1.01 -1.26 -4.89 121.20 116.60 4ubp s ILE 427 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.01 4ubp s ILE 427 Cb -0.01 -4.79 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 4ubp s ILE 427 CO -0.09 -1.52 -0.03 -1.61 0.00 0.00 0.00 174.94 171.68 4ubp s GLU 428 N 2.60 0.29 0.27 2.79 2.02 -1.26 -4.97 118.70 120.43 4ubp s GLU 428 Ca 0.34 -0.52 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 4ubp s GLU 428 Cb -0.05 0.03 -0.12 0.00 0.10 0.00 0.00 34.13 34.10 4ubp s GLU 428 CO -0.09 -0.03 1.56 0.39 0.02 0.00 0.00 175.26 177.12 4ubp n GLU 429 N 1.85 2.55 -0.26 1.61 1.02 -1.26 -2.36 120.64 123.79 4ubp n GLU 429 Ca -0.22 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 4ubp n GLU 429 Cb 0.56 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 4ubp n GLU 429 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4ubp n GLY 430 N 2.31 0.63 3.72 0.62 0.00 0.89 -5.01 105.19 108.35 4ubp n GLY 430 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 4ubp n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4ubp s LYS 431 N -0.74 2.58 0.38 1.61 1.02 -0.99 -4.88 119.74 118.71 4ubp s LYS 431 Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 4ubp s LYS 431 Cb 0.00 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 4ubp s LYS 431 CO 0.00 0.43 1.31 0.34 -0.92 0.00 0.00 175.35 176.52 4ubp n PHE 432 N -0.50 2.34 -1.90 3.18 7.35 0.48 -0.37 117.46 128.04 4ubp n PHE 432 Ca -0.08 0.52 -0.42 0.00 -0.76 0.00 0.00 57.45 56.71 4ubp n PHE 432 Cb 0.56 -2.42 -0.00 0.00 0.35 0.00 0.00 39.48 37.97 4ubp n PHE 432 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 4ubp n ALA 433 N 0.14 5.87 -3.00 3.13 0.00 -0.15 -4.64 120.51 121.87 4ubp n ALA 433 Ca 0.05 -4.00 -0.45 0.00 0.00 0.00 0.00 53.44 49.04 4ubp n ALA 433 Cb 0.38 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.50 4ubp n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4ubp s ASP 434 N 2.02 6.18 0.02 0.00 1.01 -1.26 -1.73 116.67 122.91 4ubp s ASP 434 Ca 0.48 -1.39 0.03 0.00 0.71 0.00 0.00 52.55 52.39 4ubp s ASP 434 Cb 0.13 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 4ubp s ASP 434 CO -0.05 -0.81 -0.11 -0.76 0.21 0.00 0.00 175.17 173.65 4ubp s LEU 435 N 1.94 2.12 -0.17 1.23 1.43 -0.33 -2.42 118.68 122.49 4ubp s LEU 435 Ca 0.07 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 4ubp s LEU 435 Cb -0.25 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.55 4ubp s LEU 435 CO 0.07 0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 175.81 4ubp s VAL 436 N -0.67 1.78 -0.10 -1.59 1.01 0.02 -0.35 120.40 120.50 4ubp s VAL 436 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 4ubp s VAL 436 Cb -0.06 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 4ubp s VAL 436 CO 0.00 0.46 0.36 -0.76 0.00 0.00 0.00 175.10 175.16 4ubp s LEU 437 N 1.40 4.34 -0.05 3.92 1.02 -0.13 -1.52 118.68 127.64 4ubp s LEU 437 Ca 0.04 0.72 0.03 0.00 0.02 0.00 0.00 54.13 54.95 4ubp s LEU 437 Cb -0.13 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.58 4ubp s LEU 437 CO -0.11 0.17 -0.15 0.26 0.02 0.00 0.00 176.35 176.53 4ubp s TRP 438 N -0.09 1.64 0.29 0.29 0.52 0.36 -0.82 118.94 121.12 4ubp s TRP 438 Ca 0.21 -0.53 -0.29 0.00 0.02 0.00 0.00 56.10 55.51 4ubp s TRP 438 Cb -0.15 -1.13 -0.10 0.00 -1.15 0.00 0.00 33.47 30.94 4ubp s TRP 438 CO 0.08 -0.22 1.23 -1.21 0.02 0.00 0.00 176.95 176.85 4ubp s GLU 439 N 0.28 4.47 0.34 4.98 2.02 -1.26 -1.10 118.70 128.43 4ubp s GLU 439 Ca -0.09 2.03 0.07 0.00 0.02 0.00 0.00 54.97 57.01 4ubp s GLU 439 Cb -0.13 -3.14 0.77 0.00 0.10 0.00 0.00 34.13 31.72 4ubp s GLU 439 CO 0.03 -0.05 1.87 -1.35 0.02 0.00 0.00 175.26 175.78 4ubp h PRO 440 N 3.94 0.73 0.00 0.39 0.11 -1.91 0.16 132.00 135.42 4ubp h PRO 440 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 4ubp h PRO 440 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 4ubp h PRO 440 CO 0.68 0.48 -0.15 1.57 -0.21 0.00 0.00 178.00 180.37 4ubp h LYS 441 N 0.75 0.00 -0.39 1.05 2.10 -1.88 -0.86 116.57 117.35 4ubp h LYS 441 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 4ubp h LYS 441 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 4ubp h LYS 441 CO -0.21 0.15 0.00 1.19 -2.00 0.00 0.00 179.45 178.58 4ubp n PHE 442 N -3.88 0.62 -1.69 0.07 3.72 0.46 -4.50 117.46 112.26 4ubp n PHE 442 Ca -0.02 -0.55 -0.44 0.00 -0.05 0.00 0.00 57.45 56.39 4ubp n PHE 442 Cb 0.24 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 4ubp n PHE 442 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 4ubp n PHE 443 N 0.52 2.53 -0.63 1.38 7.35 -0.50 -0.86 117.46 127.24 4ubp n PHE 443 Ca 0.15 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 4ubp n PHE 443 Cb 0.53 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.73 4ubp n PHE 443 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 4ubp n GLY 444 N 3.78 1.40 0.28 7.13 0.00 -1.26 -4.37 105.19 112.14 4ubp n GLY 444 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 4ubp n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 4ubp n VAL 445 N -2.00 0.98 -3.68 1.61 0.31 -0.04 -2.90 118.33 112.61 4ubp n VAL 445 Ca 0.00 0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 64.38 4ubp n VAL 445 Cb 0.00 -1.93 -0.18 0.00 -0.91 0.00 0.00 33.84 30.82 4ubp n VAL 445 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 4ubp s LYS 446 N -2.16 0.04 0.45 5.55 1.02 -0.99 -4.65 119.74 119.00 4ubp s LYS 446 Ca -0.15 0.27 -0.25 0.00 0.02 0.00 0.00 55.97 55.86 4ubp s LYS 446 Cb 0.02 -0.76 -0.08 0.00 -0.52 0.00 0.00 37.83 36.50 4ubp s LYS 446 CO 0.23 -0.37 1.34 0.00 -0.92 0.00 0.00 175.35 175.63 4ubp s ALA 447 N 2.13 3.15 -0.10 5.17 0.00 -0.72 -4.76 121.76 126.63 4ubp s ALA 447 Ca 0.05 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 4ubp s ALA 447 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 4ubp s ALA 447 CO -0.04 -1.03 0.32 0.22 0.00 0.00 0.00 175.76 175.23 4ubp h ASP 448 N 2.28 -0.04 -3.58 0.00 3.58 -1.33 -3.37 116.42 113.96 4ubp h ASP 448 Ca -0.50 -0.32 -0.25 0.00 0.42 0.00 0.00 57.03 56.38 4ubp h ASP 448 Cb 1.26 0.01 -0.31 0.00 1.72 0.00 0.00 39.33 42.01 4ubp h ASP 448 CO 0.61 0.61 -0.66 -0.13 -2.88 0.00 0.00 179.24 176.79 4ubp s ARG 449 N -1.98 0.04 -0.25 0.28 0.52 -1.14 -1.13 118.95 115.29 4ubp s ARG 449 Ca -0.07 0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 55.32 4ubp s ARG 449 Cb -0.01 -0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.37 4ubp s ARG 449 CO 0.25 -0.11 -0.05 0.08 0.02 0.00 0.00 175.30 175.50 4ubp s VAL 450 N 0.70 2.99 -0.10 3.52 1.01 0.61 -0.96 120.40 128.16 4ubp s VAL 450 Ca -0.06 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 4ubp s VAL 450 Cb -0.08 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 4ubp s VAL 450 CO -0.03 0.20 0.43 -0.63 0.00 0.00 0.00 175.10 175.07 4ubp s ILE 451 N 1.35 5.18 -0.14 2.22 1.01 0.53 -0.17 121.20 131.17 4ubp s ILE 451 Ca 0.01 0.86 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 4ubp s ILE 451 Cb -0.17 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.56 4ubp s ILE 451 CO -0.04 0.38 -0.10 -0.54 0.00 0.00 0.00 174.94 174.64 4ubp s LYS 452 N 0.30 1.83 -1.43 2.79 -0.14 0.45 -1.18 119.74 122.36 4ubp s LYS 452 Ca 0.24 -0.42 -0.05 0.00 -1.36 0.00 0.00 55.97 54.38 4ubp s LYS 452 Cb -0.15 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.16 4ubp s LYS 452 CO 0.10 -0.28 0.41 0.41 -0.76 0.00 0.00 175.35 175.23 4ubp n GLY 453 N 4.86 -0.51 2.20 -3.33 0.00 -0.76 -1.92 105.19 105.73 4ubp n GLY 453 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 4ubp n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ubp n GLY 454 N -1.25 0.76 3.12 -0.02 0.00 -0.71 -4.30 105.19 102.79 4ubp n GLY 454 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 4ubp n GLY 454 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4ubp s ILE 455 N -2.92 1.22 0.08 -0.61 -1.09 -0.81 -4.99 121.20 112.08 4ubp s ILE 455 Ca 0.00 -0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 57.47 4ubp s ILE 455 Cb 0.00 -1.02 -0.09 0.00 -1.58 0.00 0.00 42.46 39.77 4ubp s ILE 455 CO 0.00 0.35 1.65 -0.63 -1.23 0.00 0.00 174.94 175.08 4ubp s ILE 456 N -0.22 2.98 -0.21 2.92 1.01 -1.26 -0.41 121.20 126.01 4ubp s ILE 456 Ca 0.03 0.47 0.13 0.00 0.00 0.00 0.00 60.65 61.28 4ubp s ILE 456 Cb -0.07 -3.30 -0.22 0.00 0.01 0.00 0.00 42.46 38.87 4ubp s ILE 456 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 174.94 174.93 4ubp n ALA 457 N 5.43 1.50 -3.33 9.38 0.00 0.76 -2.06 120.51 132.19 4ubp n ALA 457 Ca 0.16 -1.23 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 4ubp n ALA 457 Cb 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 4ubp n ALA 457 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 4ubp s TYR 458 N -2.48 -0.36 -0.01 0.00 5.04 -1.11 -0.82 117.35 117.61 4ubp s TYR 458 Ca -0.16 0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 55.18 4ubp s TYR 458 Cb 0.07 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.51 4ubp s TYR 458 CO 0.74 -0.19 0.29 0.00 -1.34 0.00 0.00 175.55 175.05 4ubp s ALA 459 N 0.48 -0.73 -0.54 3.97 0.00 -0.36 -0.29 121.76 124.29 4ubp s ALA 459 Ca -0.03 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 4ubp s ALA 459 Cb -0.04 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.22 4ubp s ALA 459 CO -0.02 -0.27 1.00 -0.65 0.00 0.00 0.00 175.76 175.81 4ubp s GLN 460 N -1.46 3.42 0.05 0.00 -1.52 -0.28 -0.94 119.66 118.93 4ubp s GLN 460 Ca -0.13 -0.06 -0.10 0.00 -1.95 0.00 0.00 55.36 53.12 4ubp s GLN 460 Cb -0.05 -4.02 0.01 0.00 -0.22 0.00 0.00 33.01 28.73 4ubp s GLN 460 CO 0.03 -1.48 0.22 -1.50 -0.25 0.00 0.00 175.29 172.31 4ubp s ILE 461 N 4.15 0.11 0.00 1.08 2.07 -0.75 -4.83 121.20 123.04 4ubp s ILE 461 Ca 0.35 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 4ubp s ILE 461 Cb -0.11 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.46 4ubp s ILE 461 CO 0.22 -0.51 0.00 0.61 -1.91 0.00 0.00 174.94 173.35 4ubp n GLY 462 N 0.47 1.58 3.68 1.50 0.00 0.17 -1.85 105.19 110.75 4ubp n GLY 462 Ca -0.18 -1.96 -0.61 0.00 0.00 0.00 0.00 46.02 43.27 4ubp n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 4ubp n ASP 463 N 0.00 1.89 0.11 1.61 2.03 -0.11 -4.85 116.55 117.24 4ubp n ASP 463 Ca 0.00 1.05 0.12 0.00 0.52 0.00 0.00 54.79 56.48 4ubp n ASP 463 Cb 0.00 -1.05 0.46 0.00 -0.72 0.00 0.00 41.12 39.82 4ubp n ASP 463 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 4ubp n PRO 464 N 5.22 0.20 -0.00 -0.67 -0.04 -1.26 -2.31 135.00 136.14 4ubp n PRO 464 Ca 0.31 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 4ubp n PRO 464 Cb 0.06 -1.82 0.16 0.00 -0.04 0.00 0.00 33.50 31.86 4ubp n PRO 464 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 4ubp n SER 465 N -2.18 2.79 -4.93 3.54 3.41 -1.26 -4.99 113.62 109.99 4ubp n SER 465 Ca 0.03 -1.93 -0.25 0.00 -0.26 0.00 0.00 58.87 56.46 4ubp n SER 465 Cb 0.28 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 4ubp n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4ubp s ALA 466 N -1.99 3.31 0.31 7.33 0.00 -0.98 -4.98 121.76 124.77 4ubp s ALA 466 Ca 0.30 -0.94 0.21 0.00 0.00 0.00 0.00 51.96 51.52 4ubp s ALA 466 Cb 0.20 -2.51 0.99 0.00 0.00 0.00 0.00 23.12 21.80 4ubp s ALA 466 CO 0.31 -1.10 1.89 0.66 0.00 0.00 0.00 175.76 177.52 4ubp h SER 467 N -0.39 0.00 -5.42 0.00 4.64 -1.94 -3.44 113.55 106.99 4ubp h SER 467 Ca -0.44 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.70 4ubp h SER 467 Cb 1.30 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 4ubp h SER 467 CO 0.59 0.26 -0.56 0.27 -0.87 0.00 0.00 176.83 176.52 4ubp s ILE 468 N -4.00 0.07 -1.57 0.95 -4.36 -1.26 -5.09 121.20 105.94 4ubp s ILE 468 Ca -0.02 -1.81 0.27 0.00 -0.26 0.00 0.00 60.65 58.83 4ubp s ILE 468 Cb 0.13 -2.10 0.30 0.00 1.25 0.00 0.00 42.46 42.03 4ubp s ILE 468 CO 0.66 -0.32 1.67 -2.65 0.24 0.00 0.00 174.94 174.53 4ubp n PRO 469 N -0.16 0.62 0.13 0.37 -0.02 -1.26 -4.22 135.00 130.45 4ubp n PRO 469 Ca -0.04 -0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.21 4ubp n PRO 469 Cb 0.64 -1.49 0.04 0.00 -0.02 0.00 0.00 33.50 32.66 4ubp n PRO 469 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 4ubp h THR 470 N 0.74 0.28 -4.16 3.45 1.35 -1.91 0.49 112.91 113.16 4ubp h THR 470 Ca 0.00 -1.45 -0.54 0.00 -0.55 0.00 0.00 66.41 63.86 4ubp h THR 470 Cb 0.45 1.94 0.16 0.00 -1.73 0.00 0.00 68.15 68.97 4ubp h THR 470 CO 0.00 0.16 0.43 -2.84 -0.25 0.00 0.00 175.52 173.02 4ubp s PRO 471 N -3.15 2.19 0.62 4.72 0.02 -1.26 -4.69 135.00 133.45 4ubp s PRO 471 Ca 0.02 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 4ubp s PRO 471 Cb 0.08 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 4ubp s PRO 471 CO 0.75 -1.82 1.15 -0.65 -0.33 0.00 0.00 177.00 176.10 4ubp s GLN 472 N -3.76 2.90 -0.13 5.54 -1.52 -1.26 -0.93 119.66 120.49 4ubp s GLN 472 Ca 0.77 1.60 -0.20 0.00 -1.95 0.00 0.00 55.36 55.57 4ubp s GLN 472 Cb -0.32 -1.94 -0.04 0.00 -0.22 0.00 0.00 33.01 30.49 4ubp s GLN 472 CO 0.44 -1.21 0.58 -1.25 -0.25 0.00 0.00 175.29 173.60 4ubp s PRO 473 N -3.68 4.32 -0.24 2.91 0.04 -1.26 -4.17 135.00 132.93 4ubp s PRO 473 Ca 0.72 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 4ubp s PRO 473 Cb -0.25 -3.49 -0.00 0.00 0.04 0.00 0.00 34.50 30.80 4ubp s PRO 473 CO 0.36 0.01 0.84 0.08 0.04 0.00 0.00 177.00 178.32 4ubp s VAL 474 N 1.08 4.83 0.12 -0.36 1.01 -1.26 -3.82 120.40 122.00 4ubp s VAL 474 Ca 0.30 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 4ubp s VAL 474 Cb -0.16 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.10 4ubp s VAL 474 CO 0.12 -0.07 0.28 0.00 0.00 0.00 0.00 175.10 175.43 4ubp s MET 475 N 2.84 1.01 0.10 2.72 0.23 -0.77 -4.85 119.30 120.58 4ubp s MET 475 Ca 0.35 -0.96 -0.31 0.00 -1.03 0.00 0.00 55.69 53.74 4ubp s MET 475 Cb -0.15 0.39 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 4ubp s MET 475 CO 0.07 -0.36 1.38 0.20 -2.03 0.00 0.00 175.02 174.28 4ubp s GLY 476 N -2.88 1.99 -0.02 3.16 0.00 -1.26 -1.81 107.32 106.49 4ubp s GLY 476 Ca 0.08 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.84 4ubp s GLY 476 CO -0.08 2.34 0.10 0.50 0.00 0.00 0.00 173.10 175.96 4ubp s ARG 477 N 1.23 0.22 0.27 2.90 0.52 -0.11 -4.98 118.95 118.99 4ubp s ARG 477 Ca 0.64 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 4ubp s ARG 477 Cb -0.36 0.09 -0.10 0.00 0.52 0.00 0.00 34.95 35.11 4ubp s ARG 477 CO 0.30 -0.04 1.38 1.03 0.02 0.00 0.00 175.30 177.99 4ubp s ARG 478 N -0.40 4.31 0.09 3.54 0.52 -1.26 -1.22 118.95 124.52 4ubp s ARG 478 Ca -0.05 2.25 0.01 0.00 -0.52 0.00 0.00 55.73 57.42 4ubp s ARG 478 Cb -0.03 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.34 4ubp s ARG 478 CO 0.00 -0.33 0.08 -1.33 0.02 0.00 0.00 175.30 173.74 4ubp n MET 479 N 1.89 1.30 0.27 3.54 2.81 -0.00 -4.91 117.12 122.01 4ubp n MET 479 Ca 0.05 -0.57 0.13 0.00 -1.81 0.00 0.00 57.70 55.50 4ubp n MET 479 Cb 0.41 0.05 0.76 0.00 -0.71 0.00 0.00 33.22 33.73 4ubp n MET 479 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 4ubp h TYR 480 N 0.45 0.00 -0.00 2.03 0.05 -1.86 -2.03 116.97 115.62 4ubp h TYR 480 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 4ubp h TYR 480 Cb 0.21 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 4ubp h TYR 480 CO 0.00 0.09 0.00 0.78 -1.05 0.00 0.00 178.16 177.99 4ubp h GLY 481 N 0.65 0.00 -0.50 3.88 0.00 -1.71 -1.98 103.07 103.40 4ubp h GLY 481 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 4ubp h GLY 481 CO 0.01 0.00 -0.20 -1.30 0.00 0.00 0.00 176.54 175.05 4ubp n THR 482 N -3.44 0.00 -3.79 4.70 -2.24 -0.76 -2.41 114.28 106.34 4ubp n THR 482 Ca -0.03 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 4ubp n THR 482 Cb 0.08 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 4ubp n THR 482 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 4ubp s VAL 483 N -2.30 5.33 0.00 2.28 1.01 -0.75 -4.55 120.40 121.43 4ubp s VAL 483 Ca 0.27 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.35 4ubp s VAL 483 Cb 0.20 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 33.01 4ubp s VAL 483 CO 0.45 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.51 4ubp n GLY 484 N 1.05 2.21 0.11 4.51 0.00 -1.26 -2.08 105.19 109.72 4ubp n GLY 484 Ca -0.11 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.58 4ubp n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4ubp n ASP 485 N -0.15 0.43 0.24 1.61 8.00 -1.26 -3.61 116.55 121.81 4ubp n ASP 485 Ca 0.00 -0.55 0.10 0.00 0.71 0.00 0.00 54.79 55.05 4ubp n ASP 485 Cb 0.00 -0.09 0.62 0.00 -0.02 0.00 0.00 41.12 41.63 4ubp n ASP 485 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 4ubp h LEU 486 N 0.52 0.00 -2.08 0.64 5.85 -1.70 -0.87 115.31 117.67 4ubp h LEU 486 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 4ubp h LEU 486 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 4ubp h LEU 486 CO 0.00 0.17 0.20 -0.29 -0.34 0.00 0.00 178.44 178.18 4ubp h ILE 487 N 0.00 0.73 -0.03 4.05 2.10 -1.53 -1.62 117.51 121.20 4ubp h ILE 487 Ca -0.00 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.75 4ubp h ILE 487 Cb 0.38 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 36.96 4ubp h ILE 487 CO 0.02 0.00 -0.80 0.45 -1.08 0.00 0.00 178.15 176.74 4ubp h HIS 488 N 0.00 0.45 0.00 2.19 3.86 -1.41 -3.26 115.15 116.97 4ubp h HIS 488 Ca 0.12 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 4ubp h HIS 488 Cb 0.51 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.92 4ubp h HIS 488 CO 0.00 0.99 -0.78 -0.25 0.86 0.00 0.00 177.93 178.75 4ubp n ASP 489 N -3.77 0.64 -0.47 2.45 8.00 -0.66 -2.20 116.55 120.53 4ubp n ASP 489 Ca -0.04 -0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.49 4ubp n ASP 489 Cb 0.75 0.45 0.08 0.00 -0.02 0.00 0.00 41.12 42.39 4ubp n ASP 489 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 4ubp n THR 490 N -1.95 0.00 -4.14 -3.53 -2.24 -0.88 -4.85 114.28 96.69 4ubp n THR 490 Ca 0.03 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 4ubp n THR 490 Cb 0.42 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 4ubp n THR 490 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 4ubp s ASN 491 N -2.45 1.28 -0.12 3.42 0.01 -1.23 -3.39 114.94 112.46 4ubp s ASN 491 Ca 0.20 -0.71 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 4ubp s ASN 491 Cb 0.18 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.85 4ubp s ASN 491 CO 0.55 -0.22 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.10 4ubp s ILE 492 N -1.97 2.59 -0.33 0.60 1.01 -1.26 -2.38 121.20 119.46 4ubp s ILE 492 Ca -0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 4ubp s ILE 492 Cb -0.06 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 4ubp s ILE 492 CO 0.00 0.54 0.46 -0.89 0.00 0.00 0.00 174.94 175.05 4ubp s THR 493 N 0.37 5.08 -0.02 2.92 2.01 0.50 -1.20 115.64 125.29 4ubp s THR 493 Ca -0.14 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 4ubp s THR 493 Cb -0.17 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 4ubp s THR 493 CO 0.07 -0.11 0.70 -0.36 -0.69 0.00 0.00 174.62 174.23 4ubp s PHE 494 N 2.25 3.65 0.05 4.92 0.08 0.28 -0.98 117.98 128.23 4ubp s PHE 494 Ca 0.17 1.30 -0.01 0.00 0.12 0.00 0.00 56.93 58.51 4ubp s PHE 494 Cb -0.16 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 4ubp s PHE 494 CO 0.12 0.20 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.78 4ubp s MET 495 N 0.33 0.57 0.77 0.44 -1.94 -0.09 -4.41 119.30 114.96 4ubp s MET 495 Ca 0.36 -1.10 -0.13 0.00 -1.71 0.00 0.00 55.69 53.11 4ubp s MET 495 Cb -0.19 0.20 0.06 0.00 2.01 0.00 0.00 34.83 36.92 4ubp s MET 495 CO 0.19 -0.11 1.18 -1.54 -0.01 0.00 0.00 175.02 174.74 4ubp s SER 496 N -2.66 3.95 0.25 3.03 1.04 -1.03 -1.70 113.70 116.58 4ubp s SER 496 Ca 0.03 2.26 -0.04 0.00 0.48 0.00 0.00 55.95 58.68 4ubp s SER 496 Cb 0.05 -2.58 0.35 0.00 0.10 0.00 0.00 66.02 63.95 4ubp s SER 496 CO -0.08 -2.42 1.87 0.11 0.98 0.00 0.00 173.24 173.70 4ubp h LYS 497 N -0.72 1.07 -0.42 4.02 1.57 -1.80 -2.40 116.57 117.89 4ubp h LYS 497 Ca -0.46 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.16 4ubp h LYS 497 Cb 1.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 4ubp h LYS 497 CO 0.48 0.71 -0.09 0.66 -0.57 0.00 0.00 179.45 180.63 4ubp h SER 498 N 1.10 0.81 -0.13 0.86 4.64 -1.88 -0.37 113.55 118.59 4ubp h SER 498 Ca 0.40 -0.36 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 4ubp h SER 498 Cb 0.13 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 4ubp h SER 498 CO -0.16 0.98 -0.06 0.77 -0.87 0.00 0.00 176.83 177.49 4ubp h SER 499 N 0.63 0.38 -0.22 4.97 4.64 -1.62 0.39 113.55 122.72 4ubp h SER 499 Ca 0.11 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 4ubp h SER 499 Cb 0.62 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 4ubp h SER 499 CO 0.04 0.49 -0.20 0.40 -0.87 0.00 0.00 176.83 176.69 4ubp h ILE 500 N 0.39 1.32 -0.10 0.95 2.04 -1.20 -1.36 117.51 119.55 4ubp h ILE 500 Ca 0.08 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 4ubp h ILE 500 Cb 0.35 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 4ubp h ILE 500 CO 0.02 0.42 -0.22 -0.61 0.00 0.00 0.00 178.15 177.76 4ubp h GLN 501 N 0.22 0.16 -0.09 2.37 4.15 -0.69 -1.69 115.11 119.56 4ubp h GLN 501 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.41 4ubp h GLN 501 Cb 0.74 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.41 4ubp h GLN 501 CO 0.05 0.38 0.00 1.04 -1.93 0.00 0.00 178.83 178.37 4ubp n GLN 502 N -4.22 1.34 -1.82 1.69 6.02 0.09 -4.92 117.38 115.57 4ubp n GLN 502 Ca -0.01 -0.51 -0.04 0.00 -0.01 0.00 0.00 57.00 56.42 4ubp n GLN 502 Cb 0.32 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 4ubp n GLN 502 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4ubp n GLY 503 N 0.92 0.34 0.32 1.08 0.00 -0.63 -4.95 105.19 102.27 4ubp n GLY 503 Ca 0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 4ubp n GLY 503 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 4ubp h VAL 504 N 0.00 1.09 -0.25 1.61 2.07 -1.48 -1.47 116.25 117.83 4ubp h VAL 504 Ca -0.10 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.10 4ubp h VAL 504 Cb 0.85 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 4ubp h VAL 504 CO 0.12 0.19 0.08 -0.65 0.02 0.00 0.00 177.57 177.33 4ubp h PRO 505 N 1.02 0.19 -0.51 1.57 0.11 -1.90 -0.22 132.00 132.27 4ubp h PRO 505 Ca 0.36 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 4ubp h PRO 505 Cb 0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 4ubp h PRO 505 CO -0.14 0.13 -0.01 0.00 -0.21 0.00 0.00 178.00 177.77 4ubp h ALA 506 N 1.16 1.03 -0.65 -0.75 0.00 -1.77 0.60 119.26 118.89 4ubp h ALA 506 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.76 4ubp h ALA 506 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 4ubp h ALA 506 CO -0.12 0.60 0.42 -0.22 0.00 0.00 0.00 179.25 179.93 4ubp h LYS 507 N 0.79 0.81 -0.00 0.00 3.64 -0.46 -2.60 116.57 118.75 4ubp h LYS 507 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 4ubp h LYS 507 Cb 0.49 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 4ubp h LYS 507 CO 0.02 0.54 -0.33 1.28 -2.27 0.00 0.00 179.45 178.69 4ubp n LEU 508 N -4.67 0.77 -1.13 5.20 4.77 -0.17 -4.95 117.00 116.82 4ubp n LEU 508 Ca 0.06 -0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 4ubp n LEU 508 Cb 0.05 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 4ubp n LEU 508 CO 0.34 0.16 -0.08 0.61 -1.33 0.00 0.00 177.39 177.08 4ubp n GLY 509 N 1.40 0.04 3.71 -0.72 0.00 -0.23 -4.96 105.19 104.44 4ubp n GLY 509 Ca 0.10 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 4ubp n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4ubp s LEU 510 N -2.73 4.37 -0.01 0.99 1.43 0.03 -4.90 118.68 117.87 4ubp s LEU 510 Ca 0.03 2.17 0.17 0.00 -1.03 0.00 0.00 54.13 55.48 4ubp s LEU 510 Cb -0.02 -3.58 -0.21 0.00 0.03 0.00 0.00 46.19 42.41 4ubp s LEU 510 CO 0.04 -0.55 0.62 0.29 0.23 0.00 0.00 176.35 176.97 4ubp n LYS 511 N 3.89 1.13 -1.01 1.70 4.76 -1.26 -4.77 118.16 122.61 4ubp n LYS 511 Ca 0.10 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 4ubp n LYS 511 Cb 0.44 -1.34 0.14 0.00 -1.84 0.00 0.00 35.03 32.44 4ubp n LYS 511 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 4ubp s ARG 512 N -2.79 1.37 0.35 1.97 0.52 -1.26 -4.69 118.95 114.42 4ubp s ARG 512 Ca 0.02 1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 56.14 4ubp s ARG 512 Cb 0.12 -1.79 -0.11 0.00 0.52 0.00 0.00 34.95 33.69 4ubp s ARG 512 CO 0.71 -2.27 1.49 1.03 0.02 0.00 0.00 175.30 176.28 4ubp s ARG 513 N -4.79 4.14 -0.23 3.54 0.52 -0.94 -4.80 118.95 116.38 4ubp s ARG 513 Ca 0.64 2.54 -0.07 0.00 -0.52 0.00 0.00 55.73 58.32 4ubp s ARG 513 Cb -0.20 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 4ubp s ARG 513 CO 0.58 -0.52 0.06 0.42 0.02 0.00 0.00 175.30 175.85 4ubp s ILE 514 N -0.90 4.34 -0.10 1.52 -1.09 -1.26 -0.37 121.20 123.34 4ubp s ILE 514 Ca 0.54 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.76 4ubp s ILE 514 Cb -0.46 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 4ubp s ILE 514 CO 0.59 0.38 0.06 -0.83 -1.23 0.00 0.00 174.94 173.91 4ubp s GLY 515 N 1.28 1.99 -0.19 6.18 0.00 -0.15 -4.95 107.32 111.48 4ubp s GLY 515 Ca 0.05 -0.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 4ubp s GLY 515 CO 0.03 -0.50 0.31 -1.59 0.00 0.00 0.00 173.10 171.36 4ubp s THR 516 N -0.96 5.27 0.05 0.90 2.01 -1.26 -0.92 115.64 120.74 4ubp s THR 516 Ca 0.14 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 4ubp s THR 516 Cb -0.12 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 4ubp s THR 516 CO 0.03 0.32 0.95 -0.69 -0.69 0.00 0.00 174.62 174.54 4ubp s VAL 517 N 0.93 4.70 0.06 3.82 1.01 -0.69 -4.79 120.40 125.44 4ubp s VAL 517 Ca 0.16 2.01 -0.27 0.00 0.00 0.00 0.00 61.98 63.88 4ubp s VAL 517 Cb -0.14 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.03 4ubp s VAL 517 CO 0.06 0.25 0.80 -1.59 0.00 0.00 0.00 175.10 174.61 4ubp s LYS 518 N 0.48 1.01 -1.05 2.72 -2.85 -0.50 -4.28 119.74 115.27 4ubp s LYS 518 Ca 0.48 -0.39 -0.00 0.00 -1.00 0.00 0.00 55.97 55.06 4ubp s LYS 518 Cb -0.22 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 4ubp s LYS 518 CO 0.28 -0.44 0.88 0.09 0.10 0.00 0.00 175.35 176.25 4ubp n ASN 519 N -0.31 -2.12 -0.08 0.03 5.03 -1.26 -4.38 115.26 112.18 4ubp n ASN 519 Ca -0.11 -0.54 0.04 0.00 0.87 0.00 0.00 54.58 54.84 4ubp n ASN 519 Cb 0.63 -4.55 0.06 0.00 -1.02 0.00 0.00 39.78 34.90 4ubp n ASN 519 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 4ubp n ARG 521 N -0.81 1.71 -0.72 0.00 5.12 -1.26 -4.54 116.66 116.16 4ubp n ARG 521 Ca 0.07 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.93 4ubp n ARG 521 Cb 0.48 -1.21 0.23 0.00 -1.16 0.00 0.00 32.46 30.80 4ubp n ARG 521 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 4ubp n ASN 522 N -1.58 3.37 -4.59 0.55 0.23 -1.26 -4.65 115.26 107.32 4ubp n ASN 522 Ca 0.01 -3.41 -0.27 0.00 -0.53 0.00 0.00 54.58 50.37 4ubp n ASN 522 Cb 0.27 -0.63 -0.11 0.00 -2.08 0.00 0.00 39.78 37.23 4ubp n ASN 522 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 4ubp s ILE 523 N -3.07 1.86 0.00 1.53 -4.36 -1.26 -5.12 121.20 110.78 4ubp s ILE 523 Ca 0.46 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 4ubp s ILE 523 Cb 0.39 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 41.14 4ubp s ILE 523 CO 0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.85 4ubp n GLY 524 N -0.92 2.43 0.37 6.27 0.00 -1.26 -4.81 105.19 107.27 4ubp n GLY 524 Ca -0.05 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.07 4ubp n GLY 524 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 4ubp h LYS 525 N 0.00 0.67 -0.01 1.61 1.63 -0.93 -0.98 116.57 118.57 4ubp h LYS 525 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 4ubp h LYS 525 Cb 0.00 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 4ubp h LYS 525 CO 0.00 0.45 0.03 1.57 -3.45 0.00 0.00 179.45 178.05 4ubp h LYS 526 N 0.69 0.00 -0.01 1.90 2.10 -1.80 -1.34 116.57 118.12 4ubp h LYS 526 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 4ubp h LYS 526 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 4ubp h LYS 526 CO -0.17 0.00 -0.12 -0.25 -2.00 0.00 0.00 179.45 176.91 4ubp n ASP 527 N -3.20 0.99 -4.61 7.07 8.00 -0.37 -4.81 116.55 119.63 4ubp n ASP 527 Ca -0.03 -1.03 -0.43 0.00 0.71 0.00 0.00 54.79 54.01 4ubp n ASP 527 Cb 0.11 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 4ubp n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 4ubp s MET 528 N -2.29 3.81 0.07 -1.24 -1.94 -0.50 -4.98 119.30 112.22 4ubp s MET 528 Ca 0.31 0.63 -0.31 0.00 -1.71 0.00 0.00 55.69 54.61 4ubp s MET 528 Cb 0.20 -3.84 -0.10 0.00 2.01 0.00 0.00 34.83 33.09 4ubp s MET 528 CO 0.44 -1.14 1.88 1.63 -0.01 0.00 0.00 175.02 177.82 4ubp n LYS 529 N 7.27 2.71 -1.02 2.03 4.76 -1.26 -2.17 118.16 130.48 4ubp n LYS 529 Ca 0.10 0.99 -0.01 0.00 -2.87 0.00 0.00 58.31 56.52 4ubp n LYS 529 Cb 0.48 -2.89 -0.00 0.00 -1.84 0.00 0.00 35.03 30.77 4ubp n LYS 529 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 4ubp n TRP 530 N 6.31 0.00 -2.94 2.13 7.02 -1.26 -4.79 117.44 123.91 4ubp n TRP 530 Ca 0.19 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.54 4ubp n TRP 530 Cb 0.37 -1.72 0.03 0.00 -2.42 0.00 0.00 31.31 27.57 4ubp n TRP 530 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 4ubp n ASN 531 N -0.83 -0.89 -0.19 -0.99 3.02 -0.92 -4.67 115.26 109.78 4ubp n ASN 531 Ca -0.01 -3.39 0.09 0.00 -0.03 0.00 0.00 54.58 51.25 4ubp n ASN 531 Cb 0.42 0.76 0.15 0.00 -0.61 0.00 0.00 39.78 40.51 4ubp n ASN 531 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 4ubp n ASP 532 N 0.33 2.19 -4.70 6.41 5.75 -1.13 -4.56 116.55 120.84 4ubp n ASP 532 Ca 0.15 -3.26 -0.42 0.00 -0.01 0.00 0.00 54.79 51.25 4ubp n ASP 532 Cb 0.68 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 4ubp n ASP 532 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 4ubp s VAL 533 N -2.93 4.88 -0.03 2.12 1.01 -1.06 -4.42 120.40 119.97 4ubp s VAL 533 Ca 0.33 1.94 0.02 0.00 0.00 0.00 0.00 61.98 64.27 4ubp s VAL 533 Cb 0.30 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 4ubp s VAL 533 CO 0.01 0.13 -0.06 0.42 0.00 0.00 0.00 175.10 175.60 4ubp s THR 534 N 1.26 3.70 0.08 3.92 -4.23 -1.26 -4.66 115.64 114.45 4ubp s THR 534 Ca 0.48 -0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 60.09 4ubp s THR 534 Cb -0.20 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.16 4ubp s THR 534 CO 0.23 0.49 1.01 0.28 -0.54 0.00 0.00 174.62 176.10 4ubp s THR 535 N -0.91 0.00 -0.47 3.99 -1.32 -0.84 -5.05 115.64 111.04 4ubp s THR 535 Ca 0.15 -0.43 -0.20 0.00 -1.21 0.00 0.00 61.69 59.99 4ubp s THR 535 Cb -0.11 -1.76 0.04 0.00 -1.51 0.00 0.00 72.50 69.15 4ubp s THR 535 CO 0.05 0.00 0.66 -0.62 -2.21 0.00 0.00 174.62 172.50 4ubp s ASP 536 N -2.83 6.29 -0.21 8.08 2.15 -1.26 -4.29 116.67 124.59 4ubp s ASP 536 Ca 0.11 -0.55 -0.19 0.00 0.43 0.00 0.00 52.55 52.35 4ubp s ASP 536 Cb -0.00 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 4ubp s ASP 536 CO -0.01 -0.86 0.56 -0.63 -0.17 0.00 0.00 175.17 174.07 4ubp s ILE 537 N 2.85 5.06 -0.20 4.11 1.01 -1.26 -4.44 121.20 128.33 4ubp s ILE 537 Ca 0.20 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.84 4ubp s ILE 537 Cb -0.16 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 4ubp s ILE 537 CO 0.16 0.13 -0.00 -0.62 0.00 0.00 0.00 174.94 174.62 4ubp s ASP 538 N 1.24 4.84 -0.26 3.58 2.15 -0.45 -4.74 116.67 123.02 4ubp s ASP 538 Ca 0.25 -0.20 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 4ubp s ASP 538 Cb -0.16 -1.83 0.04 0.00 -0.30 0.00 0.00 42.92 40.68 4ubp s ASP 538 CO 0.10 0.07 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.48 4ubp s ILE 539 N 0.98 2.76 0.10 4.11 1.01 -1.26 -0.74 121.20 128.16 4ubp s ILE 539 Ca 0.02 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.12 4ubp s ILE 539 Cb -0.14 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 4ubp s ILE 539 CO 0.02 0.08 1.61 0.21 0.00 0.00 0.00 174.94 176.86 4ubp s ASN 540 N 1.26 6.61 0.48 3.58 3.84 -0.37 -4.89 114.94 125.45 4ubp s ASN 540 Ca -0.03 2.52 0.27 0.00 0.21 0.00 0.00 52.86 55.84 4ubp s ASN 540 Cb -0.18 -2.57 1.14 0.00 -0.55 0.00 0.00 41.25 39.08 4ubp s ASN 540 CO -0.04 -0.85 1.91 1.55 -2.79 0.00 0.00 177.10 176.88 4ubp h PRO 541 N 7.71 0.00 0.06 0.43 0.13 -1.96 0.13 132.00 138.50 4ubp h PRO 541 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 4ubp h PRO 541 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 4ubp h PRO 541 CO 0.92 0.15 -1.50 0.93 -0.23 0.00 0.00 178.00 178.27 4ubp h GLU 542 N 0.00 0.12 0.00 0.86 5.08 -1.99 -3.42 114.58 115.24 4ubp h GLU 542 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 4ubp h GLU 542 Cb 0.61 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.94 4ubp h GLU 542 CO 0.02 1.10 -1.62 0.25 -1.00 0.00 0.00 179.01 177.76 4ubp n THR 543 N -4.05 0.00 -0.96 1.13 -2.24 -1.21 -4.98 114.28 101.96 4ubp n THR 543 Ca -0.31 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 4ubp n THR 543 Cb 0.83 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 4ubp n THR 543 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 4ubp n TYR 544 N -1.98 0.00 -2.04 4.78 4.01 0.45 -4.94 117.16 117.44 4ubp n TYR 544 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 4ubp n TYR 544 Cb 0.44 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 4ubp n TYR 544 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 4ubp s GLU 545 N -0.43 4.29 -0.18 -0.72 2.02 -1.26 -4.35 118.70 118.08 4ubp s GLU 545 Ca 0.00 2.30 -0.08 0.00 0.02 0.00 0.00 54.97 57.21 4ubp s GLU 545 Cb 0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 4ubp s GLU 545 CO 0.00 -0.30 0.07 0.08 0.02 0.00 0.00 175.26 175.13 4ubp s VAL 546 N -0.85 4.86 -0.02 2.63 1.01 -1.26 -1.24 120.40 125.53 4ubp s VAL 546 Ca 0.52 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.55 4ubp s VAL 546 Cb -0.41 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 4ubp s VAL 546 CO 0.52 0.46 -0.19 -0.54 0.00 0.00 0.00 175.10 175.35 4ubp s LYS 547 N 0.32 1.64 -0.07 2.72 1.02 0.08 -0.02 119.74 125.42 4ubp s LYS 547 Ca 0.04 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.35 4ubp s LYS 547 Cb -0.12 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 4ubp s LYS 547 CO -0.00 0.39 -0.08 0.08 -0.92 0.00 0.00 175.35 174.82 4ubp s VAL 548 N -0.38 0.90 -1.51 3.17 1.01 -0.61 -1.34 120.40 121.64 4ubp s VAL 548 Ca 0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 4ubp s VAL 548 Cb -0.08 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.49 4ubp s VAL 548 CO -0.00 0.32 0.98 0.47 0.00 0.00 0.00 175.10 176.86 4ubp n ASP 549 N 4.20 -5.03 0.00 3.32 8.00 -1.26 -1.37 116.55 124.40 4ubp n ASP 549 Ca -0.20 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.58 4ubp n ASP 549 Cb 0.51 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 4ubp n ASP 549 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4ubp n GLY 550 N -1.70 0.47 3.56 0.44 0.00 -1.26 -5.00 105.19 101.69 4ubp n GLY 550 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 4ubp n GLY 550 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4ubp s GLU 551 N -0.57 3.28 0.18 1.61 2.02 -0.47 -5.07 118.70 119.68 4ubp s GLU 551 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 4ubp s GLU 551 Cb 0.00 -2.80 -0.09 0.00 0.10 0.00 0.00 34.13 31.35 4ubp s GLU 551 CO 0.00 0.45 1.33 0.08 0.02 0.00 0.00 175.26 177.15 4ubp s VAL 552 N -0.22 3.20 -0.40 2.63 1.01 -1.26 -1.58 120.40 123.78 4ubp s VAL 552 Ca 0.04 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 4ubp s VAL 552 Cb -0.13 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.66 4ubp s VAL 552 CO 0.02 0.13 0.29 -0.76 0.00 0.00 0.00 175.10 174.78 4ubp s LEU 553 N 0.15 5.02 -0.05 3.92 1.43 0.97 -4.96 118.68 125.16 4ubp s LEU 553 Ca 0.59 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 4ubp s LEU 553 Cb -0.37 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.72 4ubp s LEU 553 CO 0.37 -0.42 0.22 0.28 0.23 0.00 0.00 176.35 177.02 4ubp s THR 554 N 1.67 0.03 0.18 5.49 -1.32 -1.26 -4.24 115.64 116.20 4ubp s THR 554 Ca 0.05 -0.27 -0.13 0.00 -1.21 0.00 0.00 61.69 60.13 4ubp s THR 554 Cb -0.19 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 4ubp s THR 554 CO 0.10 -0.15 0.39 0.00 -2.21 0.00 0.00 174.62 172.75 4ubp s GLU 556 N -3.94 3.62 0.39 0.00 0.41 -1.26 -4.85 118.70 113.08 4ubp s GLU 556 Ca 0.15 0.08 -0.23 0.00 -0.41 0.00 0.00 54.97 54.56 4ubp s GLU 556 Cb 0.01 -2.55 -0.10 0.00 -1.78 0.00 0.00 34.13 29.71 4ubp s GLU 556 CO -0.00 0.08 0.98 -1.25 -0.49 0.00 0.00 175.26 174.58 4ubp s PRO 557 N -3.93 4.29 0.06 0.39 0.04 -1.26 -4.93 135.00 129.65 4ubp s PRO 557 Ca 0.45 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.79 4ubp s PRO 557 Cb -0.10 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 4ubp s PRO 557 CO 0.34 0.01 0.17 0.14 0.04 0.00 0.00 177.00 177.70 4ubp s VAL 558 N -1.87 5.17 -0.13 -0.36 -7.23 -1.01 -4.68 120.40 110.30 4ubp s VAL 558 Ca 0.58 -0.46 0.15 0.00 -1.81 0.00 0.00 61.98 60.44 4ubp s VAL 558 Cb -0.15 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.28 4ubp s VAL 558 CO 0.20 0.16 1.30 0.11 -0.31 0.00 0.00 175.10 176.56 4ubp h LYS 559 N 3.22 0.00 -3.98 4.82 1.57 -1.96 -1.59 116.57 118.65 4ubp h LYS 559 Ca -0.46 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.13 4ubp h LYS 559 Cb 1.16 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.25 4ubp h LYS 559 CO 0.73 0.49 -0.71 -2.00 -0.57 0.00 0.00 179.45 177.39 4ubp s GLU 560 N -2.94 0.28 0.09 3.15 2.12 -1.26 -4.89 118.70 115.24 4ubp s GLU 560 Ca 0.02 -0.51 0.07 0.00 0.36 0.00 0.00 54.97 54.91 4ubp s GLU 560 Cb 0.08 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 4ubp s GLU 560 CO 0.77 -0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.75 4ubp s LEU 561 N -1.21 2.28 1.11 2.70 1.43 -1.26 -5.11 118.68 118.61 4ubp s LEU 561 Ca -0.13 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 4ubp s LEU 561 Cb -0.08 -0.83 0.24 0.00 0.03 0.00 0.00 46.19 45.56 4ubp s LEU 561 CO -0.01 0.05 1.12 -2.16 0.23 0.00 0.00 176.35 175.58 4ubp s PRO 562 N -1.76 -0.50 -1.40 1.29 0.04 -1.26 -4.24 135.00 127.17 4ubp s PRO 562 Ca 0.05 0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.09 4ubp s PRO 562 Cb -0.10 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.81 4ubp s PRO 562 CO 0.04 -3.26 1.07 -1.33 0.04 0.00 0.00 177.00 173.56 4ubp n MET 563 N -4.47 -6.87 0.00 4.56 2.81 -1.26 -4.88 117.12 107.01 4ubp n MET 563 Ca 0.10 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 4ubp n MET 563 Cb 0.59 -5.71 0.00 0.00 -0.71 0.00 0.00 33.22 27.39 4ubp n MET 563 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 4ubp n ALA 564 N -4.78 0.00 0.46 3.04 0.00 -1.26 -4.96 120.51 113.01 4ubp n ALA 564 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 4ubp n ALA 564 Cb 0.57 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.38 4ubp n ALA 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 4ubp n GLN 565 N 0.00 0.06 0.22 0.00 6.02 -1.26 -1.36 117.38 121.06 4ubp n GLN 565 Ca 0.00 0.31 0.09 0.00 -0.01 0.00 0.00 57.00 57.39 4ubp n GLN 565 Cb 0.00 -1.62 0.47 0.00 1.02 0.00 0.00 30.24 30.11 4ubp n GLN 565 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 4ubp h ARG 566 N 0.00 0.00 0.00 -1.09 2.43 -1.94 -3.36 114.38 110.42 4ubp h ARG 566 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 4ubp h ARG 566 Cb 0.28 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 4ubp h ARG 566 CO 0.00 0.25 -1.92 0.66 -1.51 0.00 0.00 179.97 177.45 4ubp n TYR 567 N -3.49 0.00 -3.87 2.20 4.01 -0.46 -5.04 117.16 110.50 4ubp n TYR 567 Ca -0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 4ubp n TYR 567 Cb 0.42 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 4ubp n TYR 567 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 4ubp s PHE 568 N -2.32 3.60 0.02 -0.72 0.08 -1.10 -4.99 117.98 112.55 4ubp s PHE 568 Ca -0.13 0.53 0.18 0.00 0.12 0.00 0.00 56.93 57.63 4ubp s PHE 568 Cb 0.05 -1.94 0.47 0.00 -0.57 0.00 0.00 43.02 41.02 4ubp s PHE 568 CO 0.47 0.73 1.63 1.25 -0.10 0.00 0.00 175.22 179.21 4ubp h LEU 569 N 4.92 0.00 -0.27 -0.37 5.85 -1.93 -3.46 115.31 120.04 4ubp h LEU 569 Ca -0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.17 4ubp h LEU 569 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 4ubp h LEU 569 CO 0.59 0.39 0.00 0.49 -0.34 0.00 0.00 178.44 179.57