#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ubp s LYS 2 N 0.00 1.13 -0.10 2.12 1.02 -1.26 -5.14 119.74 117.52 3ubp s LYS 2 Ca 0.00 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.02 3ubp s LYS 2 Cb 0.00 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 36.02 3ubp s LYS 2 CO 0.00 0.31 -0.16 0.42 -0.92 0.00 0.00 175.35 175.00 3ubp s ILE 3 N -1.00 2.84 0.77 2.17 1.01 -1.26 -5.12 121.20 120.62 3ubp s ILE 3 Ca 0.05 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 3ubp s ILE 3 Cb -0.09 -2.15 0.06 0.00 0.01 0.00 0.00 42.46 40.29 3ubp s ILE 3 CO 0.03 0.55 1.10 0.54 0.00 0.00 0.00 174.94 177.15 3ubp s ASN 4 N 0.03 4.45 0.31 3.58 4.22 -1.26 -4.79 114.94 121.48 3ubp s ASN 4 Ca -0.06 1.86 0.02 0.00 -2.14 0.00 0.00 52.86 52.54 3ubp s ASN 4 Cb -0.15 -2.53 0.51 0.00 1.28 0.00 0.00 41.25 40.37 3ubp s ASN 4 CO 0.05 -2.07 1.84 0.03 -2.04 0.00 0.00 177.10 174.90 3ubp h ARG 5 N -1.10 0.62 -0.31 3.55 2.47 -1.99 -0.57 114.38 117.05 3ubp h ARG 5 Ca -0.44 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.12 3ubp h ARG 5 Cb 1.23 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 3ubp h ARG 5 CO 0.51 0.64 0.10 0.37 0.56 0.00 0.00 179.97 182.14 3ubp h GLN 6 N 0.59 0.47 -0.15 0.04 5.75 -1.99 0.04 115.11 119.86 3ubp h GLN 6 Ca 0.12 -0.10 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 3ubp h GLN 6 Cb 0.37 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3ubp h GLN 6 CO 0.01 0.52 -0.64 1.96 -2.65 0.00 0.00 178.83 178.04 3ubp h GLN 7 N 0.34 0.57 0.14 1.69 4.20 -1.89 -1.41 115.11 118.74 3ubp h GLN 7 Ca 0.10 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.41 3ubp h GLN 7 Cb 0.25 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3ubp h GLN 7 CO -0.00 1.02 -0.17 -0.92 -0.67 0.00 0.00 178.83 178.09 3ubp h TYR 8 N 0.41 -0.43 -0.77 2.96 5.03 -0.79 -1.83 116.97 121.55 3ubp h TYR 8 Ca -0.01 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 3ubp h TYR 8 Cb 1.21 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.63 3ubp h TYR 8 CO 0.05 -0.25 0.29 0.00 -1.32 0.00 0.00 178.16 176.93 3ubp h ALA 9 N 0.47 1.00 -0.64 1.82 0.00 -0.88 -0.71 119.26 120.31 3ubp h ALA 9 Ca 0.01 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ubp h ALA 9 Cb 0.34 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3ubp h ALA 9 CO -0.06 0.65 0.27 0.93 0.00 0.00 0.00 179.25 181.03 3ubp h GLU 10 N 1.13 0.45 0.13 0.00 5.08 -1.04 -0.83 114.58 119.49 3ubp h GLU 10 Ca 0.25 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 3ubp h GLU 10 Cb 0.25 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ubp h GLU 10 CO -0.02 0.30 -0.87 0.77 -1.00 0.00 0.00 179.01 178.19 3ubp h SER 11 N 0.47 0.54 0.00 1.42 0.02 -0.66 -3.41 113.55 111.93 3ubp h SER 11 Ca 0.32 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3ubp h SER 11 Cb 0.38 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3ubp h SER 11 CO -0.29 1.41 0.00 -1.22 -1.14 0.00 0.00 176.83 175.58 3ubp n TYR 12 N -4.08 0.00 0.00 3.45 4.01 -0.34 -4.96 117.16 115.24 3ubp n TYR 12 Ca -0.14 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3ubp n TYR 12 Cb 0.84 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 3ubp n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ubp n GLY 13 N -0.20 -0.48 3.78 2.72 0.00 -0.32 -4.46 105.19 106.23 3ubp n GLY 13 Ca 0.00 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3ubp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ubp s PRO 14 N -1.93 2.70 0.33 1.61 0.04 -1.26 -4.08 135.00 132.41 3ubp s PRO 14 Ca 0.00 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.33 3ubp s PRO 14 Cb 0.00 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 3ubp s PRO 14 CO 0.00 -1.31 0.15 -2.37 0.04 0.00 0.00 177.00 173.51 3ubp n THR 15 N -2.81 0.00 -1.61 1.26 5.66 -1.26 -4.89 114.28 110.62 3ubp n THR 15 Ca 0.09 -2.03 -0.60 0.00 -3.05 0.00 0.00 64.05 58.46 3ubp n THR 15 Cb 0.53 0.81 -0.08 0.00 -1.55 0.00 0.00 70.33 70.03 3ubp n THR 15 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3ubp n VAL 16 N -0.72 0.03 0.00 1.08 0.31 -1.26 -0.93 118.33 116.84 3ubp n VAL 16 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3ubp n VAL 16 Cb 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3ubp n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ubp n GLY 17 N 2.67 2.51 3.79 2.92 0.00 -0.57 -4.98 105.19 111.53 3ubp n GLY 17 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3ubp n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ubp s ASP 18 N -2.39 6.14 0.06 1.61 1.01 -0.11 -4.75 116.67 118.25 3ubp s ASP 18 Ca 0.00 2.05 0.08 0.00 0.71 0.00 0.00 52.55 55.39 3ubp s ASP 18 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3ubp s ASP 18 CO 0.00 -0.92 -0.23 -1.61 0.21 0.00 0.00 175.17 172.62 3ubp s GLU 19 N -3.16 1.45 -0.07 8.23 2.02 -1.26 -1.23 118.70 124.68 3ubp s GLU 19 Ca 0.68 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 54.65 3ubp s GLU 19 Cb -0.20 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3ubp s GLU 19 CO 0.24 0.41 -0.18 0.08 0.02 0.00 0.00 175.26 175.84 3ubp s VAL 20 N -0.89 1.52 0.23 2.63 1.01 0.25 -4.95 120.40 120.21 3ubp s VAL 20 Ca 0.09 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3ubp s VAL 20 Cb -0.09 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 3ubp s VAL 20 CO 0.03 0.44 1.07 -0.60 0.00 0.00 0.00 175.10 176.03 3ubp s ARG 21 N 0.32 4.67 -0.45 2.72 3.52 -1.26 -1.26 118.95 127.21 3ubp s ARG 21 Ca -0.11 1.71 -0.25 0.00 -0.13 0.00 0.00 55.73 56.95 3ubp s ARG 21 Cb -0.15 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3ubp s ARG 21 CO 0.04 0.23 0.88 -0.51 -0.81 0.00 0.00 175.30 175.13 3ubp s LEU 22 N -1.01 4.07 0.00 -0.88 1.43 -0.04 -4.74 118.68 117.51 3ubp s LEU 22 Ca 0.45 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3ubp s LEU 22 Cb -0.30 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3ubp s LEU 22 CO 0.37 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.96 3ubp n ALA 23 N 6.99 0.00 -1.11 4.21 0.00 -0.23 -1.39 120.51 128.98 3ubp n ALA 23 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 3ubp n ALA 23 Cb 0.48 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.21 3ubp n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ubp n ASP 24 N 2.03 4.13 -3.91 0.00 5.75 -1.26 -4.82 116.55 118.47 3ubp n ASP 24 Ca 0.00 -3.28 -0.30 0.00 -0.01 0.00 0.00 54.79 51.20 3ubp n ASP 24 Cb 0.00 -0.67 0.21 0.00 -1.03 0.00 0.00 41.12 39.63 3ubp n ASP 24 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ubp s THR 25 N -3.01 1.93 -0.55 2.12 -4.23 -0.48 -4.79 115.64 106.63 3ubp s THR 25 Ca 0.50 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3ubp s THR 25 Cb 0.41 -2.93 0.75 0.00 1.34 0.00 0.00 72.50 72.07 3ubp s THR 25 CO 0.10 0.00 1.67 -0.67 -0.54 0.00 0.00 174.62 175.17 3ubp n ASP 26 N -4.01 5.17 -4.74 3.99 2.03 -1.26 -4.65 116.55 113.07 3ubp n ASP 26 Ca 0.17 -2.76 -0.38 0.00 0.52 0.00 0.00 54.79 52.34 3ubp n ASP 26 Cb 0.59 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 40.31 3ubp n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ubp s LEU 27 N -2.43 4.32 -0.14 -2.67 1.43 -1.26 -5.01 118.68 112.92 3ubp s LEU 27 Ca 0.52 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 3ubp s LEU 27 Cb 0.37 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3ubp s LEU 27 CO 0.18 0.06 -0.19 0.26 0.23 0.00 0.00 176.35 176.90 3ubp s TRP 28 N 0.27 2.45 -0.03 0.29 0.52 -1.26 -0.86 118.94 120.33 3ubp s TRP 28 Ca 0.26 -1.28 -0.02 0.00 0.02 0.00 0.00 56.10 55.08 3ubp s TRP 28 Cb -0.16 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 3ubp s TRP 28 CO 0.11 -0.62 0.12 0.96 0.02 0.00 0.00 176.95 177.54 3ubp s ILE 29 N 1.02 5.03 -0.09 2.03 -4.36 -0.39 -0.29 121.20 124.15 3ubp s ILE 29 Ca -0.03 -0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.13 3ubp s ILE 29 Cb -0.15 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.25 3ubp s ILE 29 CO -0.05 0.40 -0.12 -0.70 0.24 0.00 0.00 174.94 174.71 3ubp s GLU 30 N -1.65 2.95 0.03 0.37 2.12 -1.26 -0.58 118.70 120.69 3ubp s GLU 30 Ca 0.23 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3ubp s GLU 30 Cb -0.12 -2.54 -0.08 0.00 0.26 0.00 0.00 34.13 31.65 3ubp s GLU 30 CO 0.13 0.45 1.81 0.08 -0.54 0.00 0.00 175.26 177.19 3ubp s VAL 31 N -0.26 3.09 -0.01 3.70 1.01 -0.36 -4.78 120.40 122.78 3ubp s VAL 31 Ca 0.02 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.37 3ubp s VAL 31 Cb -0.13 -3.18 -0.23 0.00 0.00 0.00 0.00 36.38 32.84 3ubp s VAL 31 CO 0.03 -0.02 0.81 -0.33 0.00 0.00 0.00 175.10 175.59 3ubp h GLU 32 N 9.60 0.04 -2.48 2.72 5.08 -1.13 -1.50 114.58 126.91 3ubp h GLU 32 Ca -0.45 -0.07 0.11 0.00 -1.00 0.00 0.00 59.36 57.95 3ubp h GLU 32 Cb 1.21 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 3ubp h GLU 32 CO 0.94 0.71 0.42 -1.59 -1.00 0.00 0.00 179.01 178.50 3ubp s LYS 33 N -2.62 1.12 -0.11 2.33 -2.85 -1.26 -4.86 119.74 111.49 3ubp s LYS 33 Ca -0.05 -0.53 -0.05 0.00 -1.00 0.00 0.00 55.97 54.35 3ubp s LYS 33 Cb 0.08 0.44 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 3ubp s LYS 33 CO 0.82 -0.50 0.23 0.34 0.10 0.00 0.00 175.35 176.35 3ubp s ASP 34 N -2.73 0.11 0.00 0.03 -1.08 -1.26 -1.49 116.67 110.24 3ubp s ASP 34 Ca 0.08 0.51 0.31 0.00 -0.52 0.00 0.00 52.55 52.93 3ubp s ASP 34 Cb -0.02 0.49 1.71 0.00 -1.46 0.00 0.00 42.92 43.64 3ubp s ASP 34 CO -0.04 -0.20 2.13 -1.22 0.52 0.00 0.00 175.17 176.36 3ubp n TYR 35 N 4.79 0.00 -1.18 -5.34 4.02 -0.65 -4.94 117.16 113.86 3ubp n TYR 35 Ca -0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.45 3ubp n TYR 35 Cb 0.51 -0.08 0.19 0.00 -0.02 0.00 0.00 39.34 39.94 3ubp n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3ubp s THR 36 N -2.17 1.95 -0.30 -0.72 -1.32 -1.26 -4.54 115.64 107.28 3ubp s THR 36 Ca 0.41 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.88 3ubp s THR 36 Cb 0.21 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.75 3ubp s THR 36 CO 0.40 0.00 -0.00 -0.89 -2.21 0.00 0.00 174.62 171.91 3ubp s THR 37 N -3.00 2.88 0.00 5.08 2.01 -1.26 -5.08 115.64 116.27 3ubp s THR 37 Ca 0.66 -1.48 -0.36 0.00 0.31 0.00 0.00 61.69 60.83 3ubp s THR 37 Cb -0.17 -2.69 -0.14 0.00 0.01 0.00 0.00 72.50 69.51 3ubp s THR 37 CO 0.57 -0.14 1.63 -1.22 -0.69 0.00 0.00 174.62 174.77 3ubp n TYR 38 N 4.59 2.07 0.00 4.92 4.01 -1.26 -1.01 117.16 130.47 3ubp n TYR 38 Ca -0.12 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3ubp n TYR 38 Cb 0.43 -2.51 0.00 0.00 -0.31 0.00 0.00 39.34 36.95 3ubp n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ubp n GLY 39 N 3.59 3.08 0.91 2.72 0.00 -1.26 -4.87 105.19 109.36 3ubp n GLY 39 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3ubp n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ubp n ASP 40 N 0.00 3.79 -4.59 1.61 8.00 -0.18 -5.03 116.55 120.15 3ubp n ASP 40 Ca 0.00 -2.75 -0.46 0.00 0.71 0.00 0.00 54.79 52.29 3ubp n ASP 40 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 3ubp n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ubp n GLU 41 N -0.15 1.35 -3.05 -1.24 4.71 -1.22 -4.82 120.64 116.22 3ubp n GLU 41 Ca 0.20 0.48 -0.39 0.00 -0.01 0.00 0.00 57.16 57.43 3ubp n GLU 41 Cb 0.80 -1.90 -0.06 0.00 -1.01 0.00 0.00 31.44 29.27 3ubp n GLU 41 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3ubp s VAL 42 N -0.76 4.46 0.06 2.62 1.01 -1.26 -4.91 120.40 121.61 3ubp s VAL 42 Ca 0.63 1.57 -0.17 0.00 0.00 0.00 0.00 61.98 64.01 3ubp s VAL 42 Cb -0.74 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 31.61 3ubp s VAL 42 CO 0.57 0.50 0.39 0.54 0.00 0.00 0.00 175.10 177.10 3ubp s ASN 43 N -1.20 -0.25 0.04 3.32 2.20 -1.26 -4.74 114.94 113.06 3ubp s ASN 43 Ca 0.35 -0.10 0.08 0.00 -0.94 0.00 0.00 52.86 52.25 3ubp s ASN 43 Cb -0.22 0.42 -0.02 0.00 -2.00 0.00 0.00 41.25 39.43 3ubp s ASN 43 CO 0.24 -0.70 -0.22 0.12 -2.94 0.00 0.00 177.10 173.60 3ubp s PHE 44 N -2.78 1.95 -5.00 1.54 5.36 -1.26 -1.29 117.98 116.50 3ubp s PHE 44 Ca -0.03 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 3ubp s PHE 44 Cb -0.00 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 3ubp s PHE 44 CO -0.05 0.09 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 3ubp n GLY 45 N 1.91 -0.36 3.65 13.12 0.00 -1.26 -4.92 105.19 117.33 3ubp n GLY 45 Ca -0.17 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3ubp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ubp s GLY 46 N 0.00 1.36 -0.98 -0.02 0.00 -1.26 -1.62 107.32 104.79 3ubp s GLY 46 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3ubp s GLY 46 CO 0.00 3.24 0.00 0.61 0.00 0.00 0.00 173.10 176.95 3ubp n GLY 47 N 4.50 0.75 0.00 0.20 0.00 -1.26 -4.99 105.19 104.40 3ubp n GLY 47 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3ubp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ubp n LYS 48 N -2.46 1.79 0.04 1.61 4.76 -0.64 -5.05 118.16 118.21 3ubp n LYS 48 Ca -0.10 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 3ubp n LYS 48 Cb 0.41 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.47 3ubp n LYS 48 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ubp h VAL 49 N -0.04 1.38 -1.23 -0.18 2.07 -1.84 -3.40 116.25 113.01 3ubp h VAL 49 Ca 0.00 -3.12 -0.73 0.00 0.82 0.00 0.00 66.70 63.67 3ubp h VAL 49 Cb 0.00 2.72 -0.12 0.00 -1.52 0.00 0.00 31.29 32.36 3ubp h VAL 49 CO 0.00 0.81 2.08 0.18 0.02 0.00 0.00 177.57 180.66 3ubp n LEU 50 N -3.28 5.89 -3.99 2.57 4.77 -0.41 0.19 117.00 122.74 3ubp n LEU 50 Ca -0.07 -4.33 -0.15 0.00 -0.03 0.00 0.00 56.01 51.42 3ubp n LEU 50 Cb 0.99 -1.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 3ubp n LEU 50 CO 0.47 0.86 -0.40 -0.13 -1.33 0.00 0.00 177.39 176.86 3ubp s ARG 51 N 2.12 0.46 0.01 3.23 0.52 -1.26 -4.68 118.95 119.35 3ubp s ARG 51 Ca 0.45 -0.33 -0.36 0.00 -0.52 0.00 0.00 55.73 54.96 3ubp s ARG 51 Cb 0.06 -0.39 -0.15 0.00 0.52 0.00 0.00 34.95 34.98 3ubp s ARG 51 CO 0.00 0.10 1.56 -1.91 0.02 0.00 0.00 175.30 175.07 3ubp n GLU 52 N 2.57 1.56 -0.29 3.54 0.00 -1.26 -1.32 120.64 125.45 3ubp n GLU 52 Ca -0.15 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.57 3ubp n GLU 52 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.73 3ubp n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ubp n GLY 53 N 3.36 1.24 0.00 8.31 0.00 -0.21 -4.91 105.19 112.98 3ubp n GLY 53 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ubp n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ubp n MET 54 N -2.00 0.00 0.10 1.61 2.81 -0.43 -4.91 117.12 114.30 3ubp n MET 54 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3ubp n MET 54 Cb 0.00 0.00 0.46 0.00 -0.71 0.00 0.00 33.22 32.97 3ubp n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ubp n GLY 55 N 5.00 -1.37 3.54 3.03 0.00 0.13 -4.54 105.19 110.97 3ubp n GLY 55 Ca 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3ubp n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ubp s GLU 56 N -3.21 3.81 0.08 1.61 2.12 -0.80 -2.70 118.70 119.62 3ubp s GLU 56 Ca 0.07 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 3ubp s GLU 56 Cb 0.11 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 3ubp s GLU 56 CO 0.44 0.03 1.09 1.21 -0.54 0.00 0.00 175.26 177.49 3ubp s ASN 57 N 1.03 7.25 0.00 -1.70 3.84 0.58 -1.04 114.94 124.89 3ubp s ASN 57 Ca 0.04 1.92 0.17 0.00 0.21 0.00 0.00 52.86 55.20 3ubp s ASN 57 Cb -0.14 -2.58 0.49 0.00 -0.55 0.00 0.00 41.25 38.47 3ubp s ASN 57 CO 0.03 -0.31 1.41 0.61 -2.79 0.00 0.00 177.10 176.05 3ubp n GLY 58 N 2.74 2.57 0.26 1.21 0.00 -1.26 -3.82 105.19 106.89 3ubp n GLY 58 Ca 0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 3ubp n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ubp n THR 59 N 1.15 1.17 -2.88 2.61 -1.04 -1.26 -4.98 114.28 109.05 3ubp n THR 59 Ca 0.19 -0.34 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 3ubp n THR 59 Cb 0.54 -1.61 -0.06 0.00 -1.82 0.00 0.00 70.33 67.38 3ubp n THR 59 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3ubp s TYR 60 N -2.40 3.89 0.89 -1.42 2.02 -1.26 -5.06 117.35 114.01 3ubp s TYR 60 Ca -0.29 1.71 -0.12 0.00 -0.37 0.00 0.00 57.07 58.00 3ubp s TYR 60 Cb 0.10 -2.88 0.12 0.00 -0.40 0.00 0.00 41.96 38.91 3ubp s TYR 60 CO 0.40 0.41 1.09 0.95 -1.57 0.00 0.00 175.55 176.84 3ubp s THR 61 N -0.78 2.68 0.29 -0.71 -4.23 -1.26 -4.53 115.64 107.10 3ubp s THR 61 Ca 0.39 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3ubp s THR 61 Cb -0.23 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.15 3ubp s THR 61 CO 0.28 -0.29 1.90 -0.09 -0.54 0.00 0.00 174.62 175.88 3ubp h ARG 62 N -1.51 1.02 0.00 3.99 2.43 -1.97 -1.73 114.38 116.61 3ubp h ARG 62 Ca -0.49 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.57 3ubp h ARG 62 Cb 1.28 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3ubp h ARG 62 CO 0.55 0.68 -0.20 1.79 -1.51 0.00 0.00 179.97 181.28 3ubp h THR 63 N 1.05 0.83 -1.30 0.20 1.35 -1.92 -3.11 112.91 110.01 3ubp h THR 63 Ca 0.41 -0.77 -0.75 0.00 -0.55 0.00 0.00 66.41 64.76 3ubp h THR 63 Cb 0.23 1.45 -0.14 0.00 -1.73 0.00 0.00 68.15 67.96 3ubp h THR 63 CO -0.16 0.19 2.08 -0.62 -0.25 0.00 0.00 175.52 176.76 3ubp n GLU 64 N -3.85 3.51 -1.22 4.72 1.02 -0.65 -4.57 120.64 119.60 3ubp n GLU 64 Ca -0.02 -3.46 -0.07 0.00 -0.02 0.00 0.00 57.16 53.59 3ubp n GLU 64 Cb 0.29 -2.99 -0.03 0.00 -0.02 0.00 0.00 31.44 28.69 3ubp n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ubp n ASN 65 N 4.37 -4.46 -4.87 1.62 3.02 -1.26 -4.76 115.26 108.92 3ubp n ASN 65 Ca 0.41 0.18 -0.36 0.00 -0.03 0.00 0.00 54.58 54.79 3ubp n ASN 65 Cb 0.37 -2.62 -0.06 0.00 -0.61 0.00 0.00 39.78 36.87 3ubp n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ubp s VAL 66 N -2.09 5.26 0.30 2.41 1.01 -1.17 -1.92 120.40 124.20 3ubp s VAL 66 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 3ubp s VAL 66 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 3ubp s VAL 66 CO 0.00 0.44 0.65 -0.76 0.00 0.00 0.00 175.10 175.43 3ubp s LEU 67 N -1.54 4.05 0.15 3.92 1.43 -0.36 -4.82 118.68 121.52 3ubp s LEU 67 Ca 0.25 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 3ubp s LEU 67 Cb -0.14 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 3ubp s LEU 67 CO 0.14 -0.20 1.34 0.44 0.23 0.00 0.00 176.35 178.30 3ubp h ASP 68 N 2.08 0.22 -3.33 2.29 3.32 -1.32 -3.14 116.42 116.53 3ubp h ASP 68 Ca -0.47 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.27 3ubp h ASP 68 Cb 1.18 -0.07 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 3ubp h ASP 68 CO 0.67 1.04 -0.28 -0.22 -1.72 0.00 0.00 179.24 178.72 3ubp s LEU 69 N -7.27 -0.03 -0.17 1.55 2.96 -0.90 -0.67 118.68 114.15 3ubp s LEU 69 Ca -0.02 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3ubp s LEU 69 Cb 0.10 1.39 0.01 0.00 0.50 0.00 0.00 46.19 48.19 3ubp s LEU 69 CO 0.83 -0.19 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.28 3ubp s LEU 70 N 1.21 2.27 -0.39 -0.68 2.96 -0.59 -0.94 118.68 122.52 3ubp s LEU 70 Ca -0.08 -0.58 -0.20 0.00 -0.22 0.00 0.00 54.13 53.05 3ubp s LEU 70 Cb -0.07 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.11 3ubp s LEU 70 CO -0.11 0.02 0.62 -0.76 -1.32 0.00 0.00 176.35 174.81 3ubp s LEU 71 N 1.16 4.38 0.07 -0.68 1.02 0.57 -1.13 118.68 124.08 3ubp s LEU 71 Ca 0.01 -0.09 -0.23 0.00 0.02 0.00 0.00 54.13 53.84 3ubp s LEU 71 Cb -0.14 -2.73 -0.06 0.00 0.02 0.00 0.00 46.19 43.28 3ubp s LEU 71 CO -0.08 -0.65 0.69 0.42 0.02 0.00 0.00 176.35 176.74 3ubp s THR 72 N 2.70 4.67 -1.21 5.49 -4.23 -0.38 -0.55 115.64 122.13 3ubp s THR 72 Ca 0.23 1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 62.17 3ubp s THR 72 Cb -0.14 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.67 3ubp s THR 72 CO 0.16 0.46 1.03 0.59 -0.54 0.00 0.00 174.62 176.33 3ubp n ASN 73 N 2.21 -3.97 -4.78 3.99 3.02 -1.25 -0.18 115.26 114.30 3ubp n ASN 73 Ca -0.06 -0.55 -0.38 0.00 -0.03 0.00 0.00 54.58 53.56 3ubp n ASN 73 Cb 0.50 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.75 3ubp n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ubp s ALA 74 N -3.32 3.24 -0.59 5.41 0.00 -0.05 -2.96 121.76 123.48 3ubp s ALA 74 Ca 0.26 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 3ubp s ALA 74 Cb -0.12 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 19.94 3ubp s ALA 74 CO 0.69 0.19 0.65 -1.17 0.00 0.00 0.00 175.76 176.12 3ubp s LEU 75 N -1.88 5.69 0.04 0.00 2.96 -1.04 -1.30 118.68 123.16 3ubp s LEU 75 Ca 0.48 -1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 52.49 3ubp s LEU 75 Cb -0.20 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3ubp s LEU 75 CO 0.25 -1.01 0.93 -0.63 -1.32 0.00 0.00 176.35 174.57 3ubp s ILE 76 N 2.24 4.74 -0.24 6.68 1.01 0.63 -0.24 121.20 136.01 3ubp s ILE 76 Ca 0.10 1.98 0.02 0.00 0.00 0.00 0.00 60.65 62.74 3ubp s ILE 76 Cb -0.25 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.00 3ubp s ILE 76 CO 0.04 0.24 -0.10 -0.22 0.00 0.00 0.00 174.94 174.91 3ubp s LEU 77 N 0.52 3.04 0.21 2.97 0.20 -0.76 -1.73 118.68 123.12 3ubp s LEU 77 Ca 0.48 -1.25 -0.15 0.00 0.69 0.00 0.00 54.13 53.89 3ubp s LEU 77 Cb -0.22 -1.42 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 3ubp s LEU 77 CO 0.27 -0.19 0.48 -0.62 -0.29 0.00 0.00 176.35 176.01 3ubp s ASP 78 N 1.22 -0.17 0.40 3.68 2.15 -0.81 -4.45 116.67 118.68 3ubp s ASP 78 Ca -0.07 -0.65 0.08 0.00 0.43 0.00 0.00 52.55 52.34 3ubp s ASP 78 Cb -0.19 0.57 0.82 0.00 -0.30 0.00 0.00 42.92 43.82 3ubp s ASP 78 CO -0.06 -1.06 1.99 0.10 -0.17 0.00 0.00 175.17 175.96 3ubp h TYR 79 N 2.26 0.40 0.00 -5.34 -0.00 -1.91 -1.98 116.97 110.40 3ubp h TYR 79 Ca -0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 3ubp h TYR 79 Cb 1.25 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.86 3ubp h TYR 79 CO 0.37 0.35 0.00 0.25 -0.00 0.00 0.00 178.16 179.14 3ubp n THR 80 N -4.38 0.73 0.00 -0.90 -2.24 -1.26 -4.99 114.28 101.24 3ubp n THR 80 Ca 0.01 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3ubp n THR 80 Cb 0.16 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 3ubp n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ubp n GLY 81 N 0.40 2.39 2.93 3.38 0.00 -0.74 -5.06 105.19 108.49 3ubp n GLY 81 Ca 0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 3ubp n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ubp s ILE 82 N -1.97 1.99 0.22 -0.61 1.01 -1.26 -1.93 121.20 118.65 3ubp s ILE 82 Ca 0.00 -2.34 -0.13 0.00 0.00 0.00 0.00 60.65 58.18 3ubp s ILE 82 Cb 0.00 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3ubp s ILE 82 CO 0.00 -0.67 0.45 -0.72 0.00 0.00 0.00 174.94 174.00 3ubp s TYR 83 N 0.80 0.28 -0.24 3.97 1.13 -0.71 -0.47 117.35 122.13 3ubp s TYR 83 Ca 0.12 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 55.04 3ubp s TYR 83 Cb -0.20 0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.79 3ubp s TYR 83 CO -0.09 -0.94 0.15 0.21 -2.51 0.00 0.00 175.55 172.37 3ubp s LYS 84 N -3.98 4.04 0.16 -3.49 2.47 -0.55 -0.27 119.74 118.12 3ubp s LYS 84 Ca 0.19 -0.29 -0.23 0.00 -1.56 0.00 0.00 55.97 54.08 3ubp s LYS 84 Cb -0.00 -3.51 0.06 0.00 -1.46 0.00 0.00 37.83 32.92 3ubp s LYS 84 CO 0.05 0.06 0.66 0.00 0.16 0.00 0.00 175.35 176.29 3ubp s ALA 85 N 1.05 -1.56 0.38 3.13 0.00 -0.42 -1.63 121.76 122.72 3ubp s ALA 85 Ca 0.07 0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3ubp s ALA 85 Cb -0.14 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.71 3ubp s ALA 85 CO 0.04 -0.82 0.97 -0.51 0.00 0.00 0.00 175.76 175.45 3ubp s ASP 86 N -2.76 7.04 -0.16 0.00 1.01 -0.19 -0.87 116.67 120.74 3ubp s ASP 86 Ca 0.04 1.84 0.02 0.00 0.71 0.00 0.00 52.55 55.15 3ubp s ASP 86 Cb -0.02 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.36 3ubp s ASP 86 CO -0.08 -0.29 -0.21 -0.63 0.21 0.00 0.00 175.17 174.17 3ubp s ILE 87 N -1.82 2.02 -0.13 0.77 1.01 0.28 -1.35 121.20 121.98 3ubp s ILE 87 Ca 0.56 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3ubp s ILE 87 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3ubp s ILE 87 CO 0.21 0.54 -0.09 -0.83 0.00 0.00 0.00 174.94 174.76 3ubp s GLY 88 N 1.05 1.61 -0.02 6.18 0.00 0.40 -0.31 107.32 116.24 3ubp s GLY 88 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.92 3ubp s GLY 88 CO -0.07 -0.19 -0.26 0.14 0.00 0.00 0.00 173.10 172.72 3ubp s VAL 89 N 0.25 2.05 -0.25 1.40 1.01 -0.12 -0.87 120.40 123.88 3ubp s VAL 89 Ca -0.06 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 3ubp s VAL 89 Cb -0.15 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.60 3ubp s VAL 89 CO 0.04 0.57 0.63 -0.75 0.00 0.00 0.00 175.10 175.59 3ubp s LYS 90 N -0.64 0.66 -1.76 2.72 2.20 0.05 -1.08 119.74 121.89 3ubp s LYS 90 Ca 0.10 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 3ubp s LYS 90 Cb -0.10 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3ubp s LYS 90 CO -0.01 -0.13 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 3ubp n ASP 91 N 3.85 -5.28 0.00 1.43 8.00 -1.26 -1.33 116.55 121.96 3ubp n ASP 91 Ca -0.19 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3ubp n ASP 91 Cb 0.57 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 3ubp n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ubp n GLY 92 N -0.87 1.19 3.55 0.44 0.00 -1.26 -5.01 105.19 103.22 3ubp n GLY 92 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3ubp n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ubp s TYR 93 N -3.20 2.59 -0.32 1.61 1.51 -0.44 -0.82 117.35 118.27 3ubp s TYR 93 Ca 0.00 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 3ubp s TYR 93 Cb 0.00 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3ubp s TYR 93 CO 0.00 0.51 1.32 0.42 -1.11 0.00 0.00 175.55 176.69 3ubp s ILE 94 N -1.68 4.10 -0.11 2.71 1.01 0.47 -0.77 121.20 126.92 3ubp s ILE 94 Ca 0.24 1.22 0.13 0.00 0.00 0.00 0.00 60.65 62.25 3ubp s ILE 94 Cb -0.09 -4.17 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 3ubp s ILE 94 CO 0.14 -0.52 0.34 1.33 0.00 0.00 0.00 174.94 176.22 3ubp n VAL 95 N 6.35 0.00 -3.68 2.92 0.24 -0.05 -0.01 118.33 124.10 3ubp n VAL 95 Ca 0.15 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3ubp n VAL 95 Cb 0.47 0.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.07 3ubp n VAL 95 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ubp s GLY 96 N -3.34 -0.43 -0.18 7.63 0.00 -1.01 -4.79 107.32 105.20 3ubp s GLY 96 Ca -0.03 1.68 0.01 0.00 0.00 0.00 0.00 44.72 46.37 3ubp s GLY 96 CO 0.56 1.53 -0.16 -0.42 0.00 0.00 0.00 173.10 174.61 3ubp s ILE 97 N 0.60 1.83 0.00 0.90 1.01 -1.26 -0.45 121.20 123.83 3ubp s ILE 97 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3ubp s ILE 97 Cb -0.05 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3ubp s ILE 97 CO -0.04 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3ubp n GLY 98 N 4.67 -0.45 2.80 6.18 0.00 -0.45 -4.99 105.19 112.95 3ubp n GLY 98 Ca -0.18 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3ubp n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ubp s LYS 99 N 0.00 0.87 0.21 1.61 2.36 -1.26 -1.02 119.74 122.51 3ubp s LYS 99 Ca 0.00 -0.18 0.05 0.00 -2.55 0.00 0.00 55.97 53.29 3ubp s LYS 99 Cb 0.00 -1.52 -0.03 0.00 -1.05 0.00 0.00 37.83 35.23 3ubp s LYS 99 CO 0.00 -0.41 0.30 0.20 1.55 0.00 0.00 175.35 176.99 3ubp s GLY 100 N 1.86 1.40 0.00 5.54 0.00 -1.26 -0.57 107.32 114.28 3ubp s GLY 100 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3ubp s GLY 100 CO -0.07 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.41 3ubp n GLY 101 N -1.09 0.04 2.91 0.20 0.00 -0.80 -4.63 105.19 101.81 3ubp n GLY 101 Ca -0.08 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 3ubp n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ubp s ASN 102 N -4.00 2.73 0.64 1.61 2.47 -1.10 -1.18 114.94 116.11 3ubp s ASN 102 Ca 0.00 -0.60 0.38 0.00 0.42 0.00 0.00 52.86 53.06 3ubp s ASN 102 Cb 0.00 -0.93 2.13 0.00 -1.45 0.00 0.00 41.25 41.00 3ubp s ASN 102 CO 0.00 -0.16 2.29 -0.65 -3.72 0.00 0.00 177.10 174.85 3ubp h PRO 103 N 8.12 0.00 -0.49 0.43 0.11 -1.93 -1.01 132.00 137.23 3ubp h PRO 103 Ca -0.26 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.94 3ubp h PRO 103 Cb 1.12 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 3ubp h PRO 103 CO 0.41 0.00 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.46 3ubp h ASP 104 N 0.00 -1.02 0.00 -2.05 3.32 -1.94 -3.36 116.42 111.37 3ubp h ASP 104 Ca 0.01 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ubp h ASP 104 Cb 0.09 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3ubp h ASP 104 CO -0.00 -0.30 0.00 2.30 -1.72 0.00 0.00 179.24 179.52 3ubp n ILE 105 N -5.42 0.00 -4.21 0.35 -5.35 -1.05 -5.08 119.36 98.60 3ubp n ILE 105 Ca 0.03 -0.31 -0.33 0.00 -0.27 0.00 0.00 62.75 61.87 3ubp n ILE 105 Cb 0.34 1.16 -0.08 0.00 -1.74 0.00 0.00 39.64 39.32 3ubp n ILE 105 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3ubp s MET 106 N -0.36 2.89 0.39 6.28 -1.94 -0.41 -5.09 119.30 121.07 3ubp s MET 106 Ca 0.00 -0.56 -0.19 0.00 -1.71 0.00 0.00 55.69 53.23 3ubp s MET 106 Cb 0.00 -2.74 -0.10 0.00 2.01 0.00 0.00 34.83 33.99 3ubp s MET 106 CO 0.00 0.63 0.88 -0.51 -0.01 0.00 0.00 175.02 176.01 3ubp s ASP 107 N -1.62 6.90 -0.87 3.03 1.01 -1.26 -4.38 116.67 119.47 3ubp s ASP 107 Ca 0.21 1.56 0.00 0.00 0.71 0.00 0.00 52.55 55.03 3ubp s ASP 107 Cb -0.12 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3ubp s ASP 107 CO 0.11 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.80 3ubp n GLY 108 N -0.51 0.94 3.69 0.21 0.00 -1.26 -4.73 105.19 103.53 3ubp n GLY 108 Ca 0.06 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3ubp n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ubp s VAL 109 N -2.32 3.97 0.21 1.61 1.01 -1.26 -4.58 120.40 119.04 3ubp s VAL 109 Ca 0.00 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.02 3ubp s VAL 109 Cb 0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3ubp s VAL 109 CO 0.00 0.02 1.62 -0.89 0.00 0.00 0.00 175.10 175.85 3ubp s THR 110 N 2.00 2.30 0.50 3.92 2.01 0.26 -4.87 115.64 121.77 3ubp s THR 110 Ca 0.60 0.23 0.16 0.00 0.31 0.00 0.00 61.69 62.98 3ubp s THR 110 Cb -0.29 -3.15 0.29 0.00 0.01 0.00 0.00 72.50 69.37 3ubp s THR 110 CO 0.25 0.02 2.11 -0.65 -0.69 0.00 0.00 174.62 175.66 3ubp h PRO 111 N 6.33 0.09 -0.58 4.92 0.11 -1.93 -0.23 132.00 140.71 3ubp h PRO 111 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ubp h PRO 111 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ubp h PRO 111 CO 0.90 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 179.02 3ubp n ASN 112 N -4.51 5.44 -2.40 -2.05 6.94 -1.26 -4.46 115.26 112.96 3ubp n ASN 112 Ca 0.00 -2.82 -0.29 0.00 -0.02 0.00 0.00 54.58 51.44 3ubp n ASN 112 Cb 0.17 -0.65 0.02 0.00 -2.36 0.00 0.00 39.78 36.96 3ubp n ASN 112 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3ubp n MET 113 N 0.69 3.27 -2.71 -3.83 2.81 -0.10 -4.56 117.12 112.68 3ubp n MET 113 Ca 0.27 -4.07 -0.42 0.00 -1.81 0.00 0.00 57.70 51.67 3ubp n MET 113 Cb 1.12 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 3ubp n MET 113 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3ubp s ILE 114 N -5.08 4.84 -0.33 2.02 1.01 -0.81 -1.90 121.20 120.94 3ubp s ILE 114 Ca 0.52 2.04 -0.29 0.00 0.00 0.00 0.00 60.65 62.92 3ubp s ILE 114 Cb 0.42 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.60 3ubp s ILE 114 CO -0.14 0.10 1.07 -0.69 0.00 0.00 0.00 174.94 175.28 3ubp s VAL 115 N 1.40 4.50 0.00 2.92 1.01 -0.33 -1.23 120.40 128.67 3ubp s VAL 115 Ca 0.50 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.15 3ubp s VAL 115 Cb -0.20 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.76 3ubp s VAL 115 CO 0.24 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.43 3ubp n GLY 116 N 3.97 6.68 0.34 4.51 0.00 -1.26 -0.31 105.19 119.12 3ubp n GLY 116 Ca 0.12 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.23 3ubp n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ubp h THR 117 N 0.18 1.16 0.00 2.61 2.02 -1.80 -2.18 112.91 114.91 3ubp h THR 117 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3ubp h THR 117 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3ubp h THR 117 CO 0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.06 3ubp n ALA 118 N -2.43 2.48 -2.67 6.16 0.00 -1.26 -4.88 120.51 117.91 3ubp n ALA 118 Ca 0.08 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3ubp n ALA 118 Cb 0.05 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.00 3ubp n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ubp s THR 119 N -2.07 5.14 0.26 0.00 2.01 -0.82 -4.46 115.64 115.69 3ubp s THR 119 Ca 0.38 0.88 -0.14 0.00 0.31 0.00 0.00 61.69 63.13 3ubp s THR 119 Cb 0.18 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3ubp s THR 119 CO 0.32 0.21 0.65 -0.70 -0.69 0.00 0.00 174.62 174.41 3ubp s GLU 120 N 1.47 3.96 -0.06 4.92 2.56 0.16 -4.88 118.70 126.83 3ubp s GLU 120 Ca 0.23 0.54 0.05 0.00 0.00 0.00 0.00 54.97 55.79 3ubp s GLU 120 Cb -0.15 -2.62 -0.01 0.00 2.00 0.00 0.00 34.13 33.35 3ubp s GLU 120 CO 0.09 0.28 -0.23 0.08 -0.56 0.00 0.00 175.26 174.92 3ubp s VAL 121 N -1.81 1.94 -0.17 3.70 1.01 -1.26 -1.54 120.40 122.26 3ubp s VAL 121 Ca 0.49 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ubp s VAL 121 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3ubp s VAL 121 CO 0.19 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.05 3ubp s ILE 122 N -0.03 2.56 -0.44 2.22 1.01 -0.28 -4.97 121.20 121.27 3ubp s ILE 122 Ca -0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 3ubp s ILE 122 Cb -0.14 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.26 3ubp s ILE 122 CO 0.04 0.51 1.12 0.00 0.00 0.00 0.00 174.94 176.62 3ubp s ALA 123 N 1.05 3.23 -2.36 9.38 0.00 -1.26 -1.24 121.76 130.56 3ubp s ALA 123 Ca -0.01 -0.38 0.20 0.00 0.00 0.00 0.00 51.96 51.77 3ubp s ALA 123 Cb -0.15 -3.85 0.25 0.00 0.00 0.00 0.00 23.12 19.38 3ubp s ALA 123 CO -0.04 -2.09 1.21 0.00 0.00 0.00 0.00 175.76 174.85 3ubp n ALA 124 N 7.63 2.43 -1.67 0.00 0.00 0.75 -4.87 120.51 124.77 3ubp n ALA 124 Ca 0.12 -0.79 -0.45 0.00 0.00 0.00 0.00 53.44 52.32 3ubp n ALA 124 Cb 0.49 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 3ubp n ALA 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3ubp n GLU 125 N 1.19 2.54 -0.07 0.00 0.00 -0.88 -0.12 120.64 123.30 3ubp n GLU 125 Ca 0.14 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.23 3ubp n GLU 125 Cb 0.52 -2.84 0.00 0.00 0.00 0.00 0.00 31.44 29.12 3ubp n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ubp n GLY 126 N 4.51 0.90 3.94 -1.84 0.00 -1.26 -4.77 105.19 106.67 3ubp n GLY 126 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3ubp n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ubp s LYS 127 N -0.68 3.50 -0.19 1.61 -0.14 0.83 -4.42 119.74 120.25 3ubp s LYS 127 Ca 0.00 -0.38 -0.09 0.00 -1.36 0.00 0.00 55.97 54.14 3ubp s LYS 127 Cb 0.00 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 33.34 3ubp s LYS 127 CO 0.00 0.30 0.11 0.42 -0.76 0.00 0.00 175.35 175.41 3ubp s ILE 128 N -2.07 5.22 -0.14 2.17 1.01 0.09 -2.51 121.20 124.97 3ubp s ILE 128 Ca 0.39 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 3ubp s ILE 128 Cb -0.10 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 3ubp s ILE 128 CO 0.32 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.90 3ubp s VAL 129 N 0.26 2.99 0.28 2.92 1.01 0.67 -0.54 120.40 127.99 3ubp s VAL 129 Ca 0.07 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3ubp s VAL 129 Cb -0.11 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 3ubp s VAL 129 CO -0.01 0.52 -0.09 0.42 0.00 0.00 0.00 175.10 175.94 3ubp s THR 130 N 0.47 1.83 0.82 3.92 -4.23 -0.69 -1.82 115.64 115.94 3ubp s THR 130 Ca -0.10 -2.18 -0.13 0.00 -1.18 0.00 0.00 61.69 58.10 3ubp s THR 130 Cb -0.16 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.33 3ubp s THR 130 CO 0.05 -0.33 0.98 0.00 -0.54 0.00 0.00 174.62 174.77 3ubp n ALA 131 N -0.59 -0.68 -1.76 3.99 0.00 -1.26 -0.81 120.51 119.38 3ubp n ALA 131 Ca -0.06 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 3ubp n ALA 131 Cb 0.63 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.97 3ubp n ALA 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ubp s GLY 132 N -2.04 2.88 0.33 0.00 0.00 -0.97 -4.55 107.32 102.97 3ubp s GLY 132 Ca 0.69 1.22 -0.28 0.00 0.00 0.00 0.00 44.72 46.35 3ubp s GLY 132 CO 0.55 1.76 1.21 -0.32 0.00 0.00 0.00 173.10 176.30 3ubp s GLY 133 N -0.91 3.00 -0.36 0.20 0.00 -0.14 -4.66 107.32 104.46 3ubp s GLY 133 Ca 0.63 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.40 3ubp s GLY 133 CO 0.46 1.70 0.11 -0.42 0.00 0.00 0.00 173.10 174.95 3ubp s ILE 134 N -1.20 3.38 -0.38 0.90 -1.09 0.36 -0.51 121.20 122.67 3ubp s ILE 134 Ca 0.49 -1.55 -0.14 0.00 -2.23 0.00 0.00 60.65 57.22 3ubp s ILE 134 Cb -0.35 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3ubp s ILE 134 CO 0.46 -0.35 0.27 -0.62 -1.23 0.00 0.00 174.94 173.47 3ubp s ASP 135 N 1.56 6.08 -0.03 3.58 2.15 -0.38 -4.71 116.67 124.91 3ubp s ASP 135 Ca 0.01 -0.68 0.17 0.00 0.43 0.00 0.00 52.55 52.47 3ubp s ASP 135 Cb -0.21 -2.15 0.52 0.00 -0.30 0.00 0.00 42.92 40.78 3ubp s ASP 135 CO -0.01 -0.35 1.43 0.35 -0.17 0.00 0.00 175.17 176.42 3ubp n THR 136 N 5.13 1.24 -3.21 1.71 -2.24 -1.26 -0.34 114.28 115.30 3ubp n THR 136 Ca -0.12 -1.10 -0.25 0.00 -2.27 0.00 0.00 64.05 60.32 3ubp n THR 136 Cb 0.48 0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3ubp n THR 136 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3ubp n HIS 137 N 0.95 2.13 -4.28 4.78 -0.00 -1.18 -4.56 115.22 113.07 3ubp n HIS 137 Ca 0.19 -3.91 -0.34 0.00 -0.00 0.00 0.00 57.72 53.66 3ubp n HIS 137 Cb 0.61 -0.47 -0.12 0.00 -0.00 0.00 0.00 29.99 30.01 3ubp n HIS 137 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3ubp s VAL 138 N -2.58 3.98 -0.28 3.57 1.01 -0.47 -0.75 120.40 124.88 3ubp s VAL 138 Ca 0.41 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 3ubp s VAL 138 Cb 0.22 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3ubp s VAL 138 CO -0.08 0.47 0.46 -1.00 0.00 0.00 0.00 175.10 174.95 3ubp s HIS 139 N 0.54 3.25 -0.78 5.22 3.76 -1.22 -1.19 115.29 124.87 3ubp s HIS 139 Ca -0.02 0.49 -0.25 0.00 -0.15 0.00 0.00 55.06 55.12 3ubp s HIS 139 Cb -0.14 -2.68 0.04 0.00 1.11 0.00 0.00 32.58 30.91 3ubp s HIS 139 CO 0.02 -0.29 1.25 -0.06 -0.85 0.00 0.00 174.74 174.81 3ubp s PHE 140 N 2.22 2.42 0.00 1.40 0.08 0.35 -4.66 117.98 119.79 3ubp s PHE 140 Ca 0.18 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3ubp s PHE 140 Cb -0.16 -4.57 0.00 0.00 -0.57 0.00 0.00 43.02 37.72 3ubp s PHE 140 CO 0.10 -1.96 0.00 -0.89 -0.10 0.00 0.00 175.22 172.37 3ubp n ILE 141 N 6.36 0.00 -3.68 0.64 5.41 -1.26 -1.07 119.36 125.76 3ubp n ILE 141 Ca 0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 3ubp n ILE 141 Cb 0.49 -0.57 -0.13 0.00 -0.71 0.00 0.00 39.64 38.71 3ubp n ILE 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3ubp s ASN 142 N -3.82 0.20 0.65 4.38 3.84 -1.26 -2.97 114.94 115.96 3ubp s ASN 142 Ca 0.00 0.60 0.41 0.00 0.21 0.00 0.00 52.86 54.08 3ubp s ASN 142 Cb 0.00 0.67 2.25 0.00 -0.55 0.00 0.00 41.25 43.62 3ubp s ASN 142 CO 0.00 -0.23 2.31 -0.65 -2.79 0.00 0.00 177.10 175.75 3ubp h PRO 143 N 8.07 0.00 0.00 0.43 0.11 -1.98 -0.10 132.00 138.52 3ubp h PRO 143 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ubp h PRO 143 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ubp h PRO 143 CO 0.18 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.72 3ubp n ASP 144 N -3.22 0.00 0.22 -2.05 8.00 -1.26 -2.11 116.55 116.13 3ubp n ASP 144 Ca -0.03 0.48 0.15 0.00 0.71 0.00 0.00 54.79 56.11 3ubp n ASP 144 Cb 0.11 -0.49 0.57 0.00 -0.02 0.00 0.00 41.12 41.28 3ubp n ASP 144 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 3ubp h GLN 145 N 0.00 0.00 -0.19 -1.24 3.07 -1.44 -3.26 115.11 112.05 3ubp h GLN 145 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 3ubp h GLN 145 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3ubp h GLN 145 CO 0.00 0.00 -0.39 0.28 0.09 0.00 0.00 178.83 178.81 3ubp h VAL 146 N 0.00 1.33 -0.19 1.86 2.07 -1.65 -2.04 116.25 117.63 3ubp h VAL 146 Ca 0.00 -1.62 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 3ubp h VAL 146 Cb 0.52 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3ubp h VAL 146 CO 0.00 0.50 -0.29 0.44 0.02 0.00 0.00 177.57 178.24 3ubp h ASP 147 N 0.27 0.37 -0.18 0.57 5.19 -1.79 -0.63 116.42 120.23 3ubp h ASP 147 Ca 0.01 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 3ubp h ASP 147 Cb 0.99 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 3ubp h ASP 147 CO 0.09 0.66 0.10 0.58 -3.12 0.00 0.00 179.24 177.55 3ubp h VAL 148 N 0.32 1.02 -0.55 -1.35 2.07 -1.60 -0.71 116.25 115.46 3ubp h VAL 148 Ca 0.04 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3ubp h VAL 148 Cb 0.68 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ubp h VAL 148 CO 0.05 0.04 0.11 0.00 0.02 0.00 0.00 177.57 177.79 3ubp h ALA 149 N 1.08 0.73 -0.59 1.67 0.00 -0.84 -3.13 119.26 118.19 3ubp h ALA 149 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3ubp h ALA 149 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ubp h ALA 149 CO -0.03 0.45 0.30 -0.07 0.00 0.00 0.00 179.25 179.90 3ubp h LEU 150 N 0.79 0.73 -1.53 0.00 3.38 -0.83 -1.99 115.31 115.86 3ubp h LEU 150 Ca 0.17 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ubp h LEU 150 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ubp h LEU 150 CO 0.01 0.60 -0.23 0.00 0.09 0.00 0.00 178.44 178.91 3ubp h ALA 151 N 1.52 1.31 -0.47 1.53 0.00 -1.08 -0.56 119.26 121.51 3ubp h ALA 151 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ubp h ALA 151 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3ubp h ALA 151 CO -0.03 0.29 0.06 -1.71 0.00 0.00 0.00 179.25 177.86 3ubp n ASN 152 N -3.82 4.49 -0.01 0.00 4.05 -0.97 -1.69 115.26 117.31 3ubp n ASN 152 Ca -0.02 -3.12 0.00 0.00 0.45 0.00 0.00 54.58 51.90 3ubp n ASN 152 Cb 0.33 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 40.70 3ubp n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ubp n GLY 153 N -0.19 0.52 3.70 8.20 0.00 -0.22 -4.57 105.19 112.63 3ubp n GLY 153 Ca 0.29 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3ubp n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ubp s ILE 154 N -2.02 5.24 0.00 -0.61 1.01 -0.79 -0.96 121.20 123.07 3ubp s ILE 154 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3ubp s ILE 154 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3ubp s ILE 154 CO 0.00 0.44 0.28 0.35 0.00 0.00 0.00 174.94 176.01 3ubp n THR 155 N 3.58 0.00 -3.83 2.92 -2.24 0.33 -3.96 114.28 111.08 3ubp n THR 155 Ca -0.16 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.00 3ubp n THR 155 Cb 0.52 1.07 -0.17 0.00 -2.10 0.00 0.00 70.33 69.65 3ubp n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ubp s THR 156 N -0.33 0.08 -0.27 4.28 2.01 -0.91 -1.49 115.64 119.00 3ubp s THR 156 Ca 0.00 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 3ubp s THR 156 Cb 0.00 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.33 3ubp s THR 156 CO 0.00 0.14 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.27 3ubp s LEU 157 N 1.30 3.52 -0.17 4.42 1.43 0.41 -1.25 118.68 128.34 3ubp s LEU 157 Ca -0.06 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 51.89 3ubp s LEU 157 Cb -0.13 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3ubp s LEU 157 CO -0.03 -0.19 -0.07 -0.36 0.23 0.00 0.00 176.35 175.93 3ubp s PHE 158 N 1.26 2.93 -2.13 0.29 0.40 0.54 -2.00 117.98 119.26 3ubp s PHE 158 Ca -0.04 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3ubp s PHE 158 Cb -0.18 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.38 3ubp s PHE 158 CO -0.03 -0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.05 3ubp n GLY 159 N 3.90 -0.66 3.76 4.36 0.00 -0.93 -1.37 105.19 114.24 3ubp n GLY 159 Ca -0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 3ubp n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ubp s GLY 160 N 0.00 0.10 0.00 -0.02 0.00 -0.33 -0.35 107.32 106.72 3ubp s GLY 160 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3ubp s GLY 160 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 3ubp n GLY 161 N -0.43 4.30 0.02 0.20 0.00 -0.69 -0.49 105.19 108.10 3ubp n GLY 161 Ca -0.04 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.47 3ubp n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ubp n THR 162 N -1.90 1.27 0.00 2.61 -2.24 -1.21 -4.67 114.28 108.14 3ubp n THR 162 Ca 0.00 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 3ubp n THR 162 Cb 0.00 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3ubp n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ubp n GLY 163 N -0.78 -0.45 2.03 3.38 0.00 -0.23 -4.82 105.19 104.31 3ubp n GLY 163 Ca 0.05 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 3ubp n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ubp n PRO 164 N 0.00 1.91 -3.20 1.61 -0.04 -1.16 -4.46 135.00 129.67 3ubp n PRO 164 Ca 0.00 -1.26 -0.35 0.00 -0.04 0.00 0.00 63.50 61.85 3ubp n PRO 164 Cb 0.00 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 3ubp n PRO 164 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ubp s ALA 165 N -0.27 3.47 0.44 0.55 0.00 -1.26 -4.92 121.76 119.76 3ubp s ALA 165 Ca 0.48 0.04 0.13 0.00 0.00 0.00 0.00 51.96 52.62 3ubp s ALA 165 Cb 0.27 -2.70 1.02 0.00 0.00 0.00 0.00 23.12 21.71 3ubp s ALA 165 CO -0.06 0.38 2.00 0.93 0.00 0.00 0.00 175.76 179.01 3ubp h GLU 166 N 3.35 0.39 -0.19 0.00 3.07 -1.97 0.21 114.58 119.43 3ubp h GLU 166 Ca -0.48 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 3ubp h GLU 166 Cb 1.19 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3ubp h GLU 166 CO 0.65 0.26 0.10 0.78 -1.40 0.00 0.00 179.01 179.40 3ubp h GLY 167 N 0.40 0.29 2.00 -3.84 0.00 -1.94 -1.49 103.07 98.49 3ubp h GLY 167 Ca 0.24 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 3ubp h GLY 167 CO -0.06 0.13 -0.56 1.76 0.00 0.00 0.00 176.54 177.81 3ubp h SER 168 N 0.20 0.00 1.16 0.19 0.02 -1.43 0.19 113.55 113.87 3ubp h SER 168 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ubp h SER 168 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3ubp h SER 168 CO -0.01 0.56 -0.15 0.11 -1.14 0.00 0.00 176.83 176.20 3ubp h LYS 169 N 0.00 0.00 0.04 3.45 1.57 -0.03 -3.20 116.57 118.39 3ubp h LYS 169 Ca -0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.39 3ubp h LYS 169 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3ubp h LYS 169 CO 0.07 0.15 -2.32 0.00 -0.57 0.00 0.00 179.45 176.78 3ubp n ALA 170 N -2.17 1.28 -2.73 3.86 0.00 -0.62 -4.58 120.51 115.56 3ubp n ALA 170 Ca 0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 3ubp n ALA 170 Cb 0.43 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 3ubp n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ubp s THR 171 N -2.53 0.63 -1.43 0.00 -4.23 0.65 -4.96 115.64 103.77 3ubp s THR 171 Ca -0.30 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 3ubp s THR 171 Cb 0.08 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.39 3ubp s THR 171 CO 0.66 0.06 2.20 0.35 -0.54 0.00 0.00 174.62 177.35 3ubp n THR 172 N 2.55 3.39 -4.06 3.99 -2.24 -1.26 -4.27 114.28 112.39 3ubp n THR 172 Ca -0.15 -2.98 -0.18 0.00 -2.27 0.00 0.00 64.05 58.47 3ubp n THR 172 Cb 0.57 -2.59 -0.16 0.00 -2.10 0.00 0.00 70.33 66.05 3ubp n THR 172 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ubp s VAL 173 N 3.32 0.35 -0.42 2.28 1.01 -1.25 -3.56 120.40 122.13 3ubp s VAL 173 Ca 0.48 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3ubp s VAL 173 Cb 0.14 -0.39 0.11 0.00 0.00 0.00 0.00 36.38 36.24 3ubp s VAL 173 CO -0.08 0.17 0.17 -0.89 0.00 0.00 0.00 175.10 174.47 3ubp s THR 174 N 0.77 2.77 -0.08 3.92 2.01 -0.55 -1.71 115.64 122.78 3ubp s THR 174 Ca -0.09 -2.50 -0.30 0.00 0.31 0.00 0.00 61.69 59.11 3ubp s THR 174 Cb -0.12 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 3ubp s THR 174 CO -0.01 -0.69 1.00 -2.16 -0.69 0.00 0.00 174.62 172.07 3ubp s PRO 175 N 0.66 4.46 0.02 4.92 0.04 -1.26 -4.07 135.00 139.76 3ubp s PRO 175 Ca 0.12 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.55 3ubp s PRO 175 Cb -0.21 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3ubp s PRO 175 CO -0.05 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3ubp n GLY 176 N 3.05 -2.59 0.22 0.56 0.00 -1.26 -3.83 105.19 101.34 3ubp n GLY 176 Ca 0.08 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 3ubp n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ubp h PRO 177 N -0.04 0.31 -0.12 1.61 0.11 -1.90 -1.09 132.00 130.88 3ubp h PRO 177 Ca -0.01 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 3ubp h PRO 177 Cb 0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3ubp h PRO 177 CO 0.00 0.20 -0.15 2.35 -0.21 0.00 0.00 178.00 180.19 3ubp h TRP 178 N 0.31 0.38 -0.61 0.65 7.01 -1.98 -1.38 115.95 120.33 3ubp h TRP 178 Ca 0.30 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3ubp h TRP 178 Cb 0.40 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 3ubp h TRP 178 CO -0.21 0.75 0.39 -0.91 -2.79 0.00 0.00 178.44 175.67 3ubp h ASN 179 N -0.10 0.71 -0.03 2.65 2.35 -1.63 -0.60 115.58 118.93 3ubp h ASN 179 Ca 0.01 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3ubp h ASN 179 Cb 0.70 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3ubp h ASN 179 CO 0.04 0.54 -0.19 0.40 -1.65 0.00 0.00 177.43 176.57 3ubp h ILE 180 N 0.82 0.54 -0.70 2.81 2.04 -1.16 -0.99 117.51 120.87 3ubp h ILE 180 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.17 3ubp h ILE 180 Cb -0.06 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 3ubp h ILE 180 CO -0.05 0.00 0.36 -0.33 0.00 0.00 0.00 178.15 178.14 3ubp h GLU 181 N -0.29 0.61 -0.07 2.37 5.08 -0.93 0.49 114.58 121.84 3ubp h GLU 181 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ubp h GLU 181 Cb 0.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ubp h GLU 181 CO -0.20 0.40 0.04 0.87 -1.00 0.00 0.00 179.01 179.12 3ubp h LYS 182 N 0.63 0.07 0.00 2.33 1.79 -0.87 -2.02 116.57 118.50 3ubp h LYS 182 Ca 0.34 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 3ubp h LYS 182 Cb 0.33 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3ubp h LYS 182 CO -0.25 0.05 -0.26 0.52 -1.08 0.00 0.00 179.45 178.44 3ubp h MET 183 N 0.08 0.00 -0.50 3.15 2.86 -0.76 -0.81 114.93 118.95 3ubp h MET 183 Ca 0.03 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 3ubp h MET 183 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3ubp h MET 183 CO -0.02 0.26 -0.11 -0.07 1.06 0.00 0.00 176.91 178.03 3ubp h LEU 184 N 0.00 0.92 -0.70 1.22 3.38 -0.63 -1.42 115.31 118.09 3ubp h LEU 184 Ca -0.00 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3ubp h LEU 184 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3ubp h LEU 184 CO 0.03 1.04 -0.26 0.11 0.09 0.00 0.00 178.44 179.45 3ubp h LYS 185 N 0.83 0.72 -0.54 1.13 1.57 -0.72 -3.01 116.57 116.55 3ubp h LYS 185 Ca 0.13 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3ubp h LYS 185 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3ubp h LYS 185 CO 0.04 0.90 0.24 1.03 -0.57 0.00 0.00 179.45 181.09 3ubp h SER 186 N 0.62 0.72 -0.33 0.86 0.87 -1.06 -2.90 113.55 112.32 3ubp h SER 186 Ca 0.08 -0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3ubp h SER 186 Cb 0.77 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3ubp h SER 186 CO 0.06 0.67 0.30 0.74 -0.53 0.00 0.00 176.83 178.07 3ubp h THR 187 N 0.72 0.58 -0.43 2.23 2.02 -1.12 -0.24 112.91 116.68 3ubp h THR 187 Ca 0.18 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.49 3ubp h THR 187 Cb 0.16 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3ubp h THR 187 CO -0.02 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 175.91 3ubp h GLU 188 N 0.00 0.00 -0.68 6.66 4.39 -1.51 -0.64 114.58 122.80 3ubp h GLU 188 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3ubp h GLU 188 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3ubp h GLU 188 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3ubp n GLY 189 N -1.55 2.56 3.61 -3.84 0.00 -0.10 -4.75 105.19 101.12 3ubp n GLY 189 Ca 0.08 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3ubp n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ubp s LEU 190 N -1.04 3.93 -1.35 0.99 1.43 -0.25 -4.99 118.68 117.39 3ubp s LEU 190 Ca 0.46 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 3ubp s LEU 190 Cb 0.24 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.51 3ubp s LEU 190 CO 0.31 0.06 2.42 -0.81 0.23 0.00 0.00 176.35 178.55 3ubp n PRO 191 N 4.35 4.44 -3.47 1.29 -0.04 -1.26 -4.75 135.00 135.55 3ubp n PRO 191 Ca -0.15 -3.33 -0.13 0.00 -0.04 0.00 0.00 63.50 59.85 3ubp n PRO 191 Cb 0.52 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 3ubp n PRO 191 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ubp s ILE 192 N -0.70 0.00 0.41 0.52 2.07 -1.26 -5.04 121.20 117.19 3ubp s ILE 192 Ca 0.55 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.54 3ubp s ILE 192 Cb 0.18 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.69 3ubp s ILE 192 CO -0.09 0.00 1.13 0.20 -1.91 0.00 0.00 174.94 174.27 3ubp s ASN 193 N -2.22 6.54 0.03 4.50 0.01 -0.56 -4.66 114.94 118.59 3ubp s ASN 193 Ca -0.01 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.40 3ubp s ASN 193 Cb -0.01 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3ubp s ASN 193 CO -0.06 -0.66 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.11 3ubp s VAL 194 N -1.51 0.55 -0.02 1.60 1.01 -0.34 -0.45 120.40 121.24 3ubp s VAL 194 Ca 0.58 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3ubp s VAL 194 Cb -0.28 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3ubp s VAL 194 CO 0.35 -0.26 0.01 -0.83 0.00 0.00 0.00 175.10 174.37 3ubp s GLY 195 N -1.26 0.15 -0.14 4.51 0.00 -0.85 -0.91 107.32 108.82 3ubp s GLY 195 Ca -0.07 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 3ubp s GLY 195 CO 0.00 0.53 0.01 -0.42 0.00 0.00 0.00 173.10 173.22 3ubp s ILE 196 N 0.87 4.32 -0.18 0.90 1.01 -1.26 -2.18 121.20 124.68 3ubp s ILE 196 Ca -0.08 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 3ubp s ILE 196 Cb -0.11 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3ubp s ILE 196 CO -0.02 0.52 0.21 -0.76 0.00 0.00 0.00 174.94 174.89 3ubp s LEU 197 N -0.05 4.23 0.86 2.97 1.43 0.52 0.10 118.68 128.75 3ubp s LEU 197 Ca 0.04 0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 3ubp s LEU 197 Cb -0.13 -2.23 0.11 0.00 0.03 0.00 0.00 46.19 43.98 3ubp s LEU 197 CO 0.02 0.15 1.19 -0.83 0.23 0.00 0.00 176.35 177.10 3ubp s GLY 198 N 0.38 1.61 -0.16 -3.19 0.00 -0.13 -1.48 107.32 104.35 3ubp s GLY 198 Ca 0.12 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 3ubp s GLY 198 CO 0.01 -0.15 1.33 1.25 0.00 0.00 0.00 173.10 175.54 3ubp s LYS 199 N -5.55 4.21 -0.56 2.90 2.20 -1.26 -4.50 119.74 117.17 3ubp s LYS 199 Ca 0.64 1.72 -0.05 0.00 -0.36 0.00 0.00 55.97 57.92 3ubp s LYS 199 Cb -0.11 -3.81 -0.06 0.00 -1.51 0.00 0.00 37.83 32.35 3ubp s LYS 199 CO 0.51 -0.75 3.02 0.41 -0.36 0.00 0.00 175.35 178.18 3ubp n GLY 200 N 3.73 4.02 2.91 5.54 0.00 -1.26 -4.85 105.19 115.28 3ubp n GLY 200 Ca 0.14 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3ubp n GLY 200 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ubp s HIS 201 N -0.30 -0.00 0.00 1.61 4.02 -1.26 -4.37 115.29 114.99 3ubp s HIS 201 Ca 0.62 0.02 0.00 0.00 1.02 0.00 0.00 55.06 56.72 3ubp s HIS 201 Cb 0.31 -0.01 0.00 0.00 -1.02 0.00 0.00 32.58 31.86 3ubp s HIS 201 CO -0.11 -0.04 0.00 0.41 1.02 0.00 0.00 174.74 176.02 3ubp n GLY 202 N 2.88 3.76 0.18 -2.22 0.00 -1.26 -4.68 105.19 103.85 3ubp n GLY 202 Ca -0.14 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3ubp n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ubp n SER 203 N 0.00 1.46 -4.30 1.61 3.41 -1.26 -3.81 113.62 110.73 3ubp n SER 203 Ca 0.00 -1.26 -0.22 0.00 -0.26 0.00 0.00 58.87 57.12 3ubp n SER 203 Cb 0.00 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 3ubp n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ubp s SER 204 N -0.43 2.55 0.04 4.04 0.01 -1.26 -5.03 113.70 113.62 3ubp s SER 204 Ca 0.05 -0.77 -0.22 0.00 1.31 0.00 0.00 55.95 56.32 3ubp s SER 204 Cb 0.04 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 65.98 3ubp s SER 204 CO 0.06 0.00 1.40 0.40 0.41 0.00 0.00 173.24 175.51 3ubp h ILE 205 N 3.68 1.30 -0.58 1.44 1.08 -1.93 -3.38 117.51 119.12 3ubp h ILE 205 Ca -0.44 -1.02 0.04 0.00 -0.39 0.00 0.00 64.86 63.05 3ubp h ILE 205 Cb 1.19 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 3ubp h ILE 205 CO 0.45 0.29 0.34 0.00 -0.69 0.00 0.00 178.15 178.54 3ubp h ALA 206 N 0.67 0.76 -0.55 1.87 0.00 -1.98 0.10 119.26 120.14 3ubp h ALA 206 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ubp h ALA 206 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3ubp h ALA 206 CO 0.01 0.04 0.35 -1.35 0.00 0.00 0.00 179.25 178.30 3ubp h PRO 207 N 0.65 0.73 0.06 0.00 0.11 -1.97 -0.86 132.00 130.72 3ubp h PRO 207 Ca 0.25 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ubp h PRO 207 Cb 0.08 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3ubp h PRO 207 CO -0.13 0.50 -0.03 0.82 -0.21 0.00 0.00 178.00 178.95 3ubp h ILE 208 N 0.75 1.13 -0.74 4.15 2.04 -1.47 -3.37 117.51 119.99 3ubp h ILE 208 Ca 0.20 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.54 3ubp h ILE 208 Cb -0.06 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3ubp h ILE 208 CO -0.04 0.34 0.49 -0.03 0.00 0.00 0.00 178.15 178.91 3ubp h MET 209 N -0.89 0.84 0.00 2.37 4.05 -0.68 -2.40 114.93 118.22 3ubp h MET 209 Ca -0.01 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3ubp h MET 209 Cb 0.62 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3ubp h MET 209 CO 0.01 0.56 -0.02 1.05 0.23 0.00 0.00 176.91 178.74 3ubp h GLU 210 N 0.87 0.00 -0.42 0.39 4.11 -1.32 -0.40 114.58 117.81 3ubp h GLU 210 Ca 0.30 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.64 3ubp h GLU 210 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ubp h GLU 210 CO -0.09 0.02 -0.10 1.96 0.07 0.00 0.00 179.01 180.86 3ubp h GLN 211 N 0.00 0.81 -0.30 1.06 4.20 -1.61 -1.61 115.11 117.67 3ubp h GLN 211 Ca -0.00 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 3ubp h GLN 211 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3ubp h GLN 211 CO 0.00 0.93 0.03 0.82 -0.67 0.00 0.00 178.83 179.95 3ubp h ILE 212 N 0.63 1.24 -0.08 2.54 1.08 -1.19 -1.96 117.51 119.76 3ubp h ILE 212 Ca 0.11 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3ubp h ILE 212 Cb 0.64 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 3ubp h ILE 212 CO 0.04 0.27 -0.13 0.44 -0.69 0.00 0.00 178.15 178.08 3ubp h ASP 213 N 0.31 0.11 0.94 1.72 3.32 -1.33 -2.20 116.42 119.30 3ubp h ASP 213 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ubp h ASP 213 Cb 0.37 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ubp h ASP 213 CO 0.01 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 3ubp n ALA 214 N -2.50 1.90 0.00 3.45 0.00 -0.61 -3.95 120.51 118.79 3ubp n ALA 214 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ubp n ALA 214 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3ubp n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ubp n GLY 215 N 0.50 0.38 3.72 0.00 0.00 -0.83 -4.65 105.19 104.32 3ubp n GLY 215 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3ubp n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ubp s ALA 216 N -1.04 2.29 -1.78 4.61 0.00 -0.75 -4.29 121.76 120.80 3ubp s ALA 216 Ca 0.00 1.18 0.16 0.00 0.00 0.00 0.00 51.96 53.29 3ubp s ALA 216 Cb 0.00 -3.55 0.22 0.00 0.00 0.00 0.00 23.12 19.79 3ubp s ALA 216 CO 0.00 -1.72 1.11 0.00 0.00 0.00 0.00 175.76 175.15 3ubp n ALA 217 N -2.12 2.40 0.00 0.00 0.00 0.12 -2.66 120.51 118.24 3ubp n ALA 217 Ca 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3ubp n ALA 217 Cb 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3ubp n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ubp n GLY 218 N 0.91 -1.29 0.00 0.00 0.00 -1.22 -4.28 105.19 99.31 3ubp n GLY 218 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3ubp n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ubp n LEU 219 N 0.00 0.00 -3.36 0.99 4.77 -0.35 -0.95 117.00 118.09 3ubp n LEU 219 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3ubp n LEU 219 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3ubp n LEU 219 CO 0.00 0.00 0.50 -0.63 -1.33 0.00 0.00 177.39 175.93 3ubp s ILE 221 N 0.31 -0.60 -0.03 -0.08 1.01 -0.14 -1.02 121.20 120.65 3ubp s ILE 221 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3ubp s ILE 221 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 3ubp s ILE 221 CO 0.00 0.00 -0.12 -2.28 0.00 0.00 0.00 174.94 172.54 3ubp s HIS 222 N 2.66 1.22 0.55 3.97 2.46 -1.26 -0.12 115.29 124.77 3ubp s HIS 222 Ca 0.00 -0.30 0.24 0.00 0.47 0.00 0.00 55.06 55.48 3ubp s HIS 222 Cb -0.09 -0.83 1.58 0.00 -0.13 0.00 0.00 32.58 33.11 3ubp s HIS 222 CO -0.17 -0.09 2.20 1.05 -2.47 0.00 0.00 174.74 175.25 3ubp h GLU 223 N 6.18 0.00 0.00 2.88 4.11 -1.61 -0.65 114.58 125.49 3ubp h GLU 223 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 3ubp h GLU 223 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3ubp h GLU 223 CO 0.49 0.02 -0.05 -0.44 0.07 0.00 0.00 179.01 179.10 3ubp h ASP 224 N 0.00 0.00 -0.23 3.06 3.32 -1.93 -0.93 116.42 119.71 3ubp h ASP 224 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ubp h ASP 224 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ubp h ASP 224 CO 0.00 0.05 0.00 0.79 -1.72 0.00 0.00 179.24 178.36 3ubp n TRP 225 N -3.19 0.28 0.00 4.55 7.02 -0.27 -5.01 117.44 120.82 3ubp n TRP 225 Ca -0.00 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 3ubp n TRP 225 Cb 0.29 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 3ubp n TRP 225 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ubp n GLY 226 N 1.40 0.14 2.60 6.99 0.00 -0.35 -4.95 105.19 111.00 3ubp n GLY 226 Ca 0.17 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3ubp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ubp n ALA 227 N 0.00 6.38 -1.96 4.61 0.00 -1.24 -4.72 120.51 123.58 3ubp n ALA 227 Ca 0.00 -4.18 -0.27 0.00 0.00 0.00 0.00 53.44 48.99 3ubp n ALA 227 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 19.45 16.72 3ubp n ALA 227 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ubp s THR 228 N -0.94 2.75 0.33 0.00 -4.23 -1.26 -4.39 115.64 107.90 3ubp s THR 228 Ca 0.49 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 3ubp s THR 228 Cb 0.16 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 71.13 3ubp s THR 228 CO -0.06 -0.19 1.87 -0.65 -0.54 0.00 0.00 174.62 175.04 3ubp h PRO 229 N -0.54 0.79 -0.04 3.99 0.11 -1.92 -1.56 132.00 132.84 3ubp h PRO 229 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3ubp h PRO 229 Cb 1.29 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ubp h PRO 229 CO 0.61 0.52 -0.02 0.00 -0.21 0.00 0.00 178.00 178.91 3ubp h ALA 230 N 1.57 0.05 -0.82 -0.75 0.00 -1.93 -1.48 119.26 115.91 3ubp h ALA 230 Ca 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ubp h ALA 230 Cb 0.57 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3ubp h ALA 230 CO -0.21 -0.21 0.40 0.77 0.00 0.00 0.00 179.25 179.99 3ubp h SER 231 N -0.32 1.07 0.24 0.00 0.02 -1.49 -0.08 113.55 112.99 3ubp h SER 231 Ca 0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3ubp h SER 231 Cb 0.45 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3ubp h SER 231 CO 0.01 0.90 -0.26 0.40 -1.14 0.00 0.00 176.83 176.73 3ubp h ILE 232 N 1.16 0.44 0.04 3.27 2.04 -1.32 -2.01 117.51 121.13 3ubp h ILE 232 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.15 3ubp h ILE 232 Cb 0.11 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3ubp h ILE 232 CO -0.04 0.00 -0.07 -0.78 0.00 0.00 0.00 178.15 177.27 3ubp h ASP 233 N -0.54 -0.18 -0.74 1.72 3.58 -0.83 -1.96 116.42 117.47 3ubp h ASP 233 Ca -0.00 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 3ubp h ASP 233 Cb 0.51 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 3ubp h ASP 233 CO -0.07 -0.10 0.23 0.03 -2.88 0.00 0.00 179.24 176.44 3ubp h ARG 234 N -0.14 1.16 -0.43 0.28 2.47 -1.04 -1.60 114.38 115.09 3ubp h ARG 234 Ca 0.01 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 3ubp h ARG 234 Cb 0.15 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3ubp h ARG 234 CO -0.04 0.98 0.17 0.77 0.56 0.00 0.00 179.97 182.41 3ubp h SER 235 N 1.11 0.59 0.13 7.04 0.02 -1.28 -0.92 113.55 120.24 3ubp h SER 235 Ca 0.24 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3ubp h SER 235 Cb 0.32 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ubp h SER 235 CO -0.01 0.60 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.95 3ubp h LEU 236 N 0.54 0.22 -0.51 5.07 3.38 -0.95 -0.22 115.31 122.84 3ubp h LEU 236 Ca 0.14 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ubp h LEU 236 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ubp h LEU 236 CO -0.01 0.49 0.05 0.74 0.09 0.00 0.00 178.44 179.80 3ubp h THR 237 N 0.20 1.26 0.22 0.22 2.02 -1.03 0.17 112.91 115.96 3ubp h THR 237 Ca 0.03 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 3ubp h THR 237 Cb 0.58 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3ubp h THR 237 CO 0.04 0.35 -0.10 0.58 0.37 0.00 0.00 175.52 176.76 3ubp h VAL 238 N 0.73 0.82 -0.76 3.16 2.07 -0.92 -2.09 116.25 119.26 3ubp h VAL 238 Ca 0.15 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3ubp h VAL 238 Cb 0.44 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3ubp h VAL 238 CO 0.02 0.03 0.46 0.00 0.02 0.00 0.00 177.57 178.10 3ubp h ALA 239 N 0.41 1.02 -0.38 1.67 0.00 -0.78 0.18 119.26 121.38 3ubp h ALA 239 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ubp h ALA 239 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ubp h ALA 239 CO 0.05 0.20 0.02 -0.44 0.00 0.00 0.00 179.25 179.07 3ubp h ASP 240 N 0.86 0.56 -0.03 0.00 3.32 -0.53 0.16 116.42 120.76 3ubp h ASP 240 Ca 0.33 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 57.04 3ubp h ASP 240 Cb 0.13 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.55 3ubp h ASP 240 CO -0.16 0.62 -0.89 -0.08 -1.72 0.00 0.00 179.24 177.01 3ubp h GLU 241 N 0.57 0.66 0.00 3.56 4.81 -0.54 -3.35 114.58 120.30 3ubp h GLU 241 Ca 0.12 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3ubp h GLU 241 Cb 0.34 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3ubp h GLU 241 CO 0.01 1.26 -0.40 0.00 -0.73 0.00 0.00 179.01 179.16 3ubp n ALA 242 N -2.63 3.10 -3.26 2.92 0.00 0.53 -4.97 120.51 116.20 3ubp n ALA 242 Ca -0.10 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 3ubp n ALA 242 Cb 0.81 -1.22 0.08 0.00 0.00 0.00 0.00 19.45 19.11 3ubp n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ubp n ASP 243 N -1.66 -2.19 -4.38 0.00 2.03 0.53 -4.56 116.55 106.32 3ubp n ASP 243 Ca 0.05 -0.54 -0.19 0.00 0.52 0.00 0.00 54.79 54.63 3ubp n ASP 243 Cb 0.36 -4.55 -0.10 0.00 -0.72 0.00 0.00 41.12 36.11 3ubp n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ubp s VAL 244 N -3.31 1.50 0.16 5.18 -7.23 -1.14 -4.20 120.40 111.36 3ubp s VAL 244 Ca 0.02 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.94 3ubp s VAL 244 Cb -0.01 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 3ubp s VAL 244 CO 0.64 -0.39 0.55 -1.58 -0.31 0.00 0.00 175.10 174.01 3ubp s GLN 245 N -3.74 3.94 -0.16 4.82 2.00 -1.26 -4.71 119.66 120.54 3ubp s GLN 245 Ca 0.27 0.44 -0.04 0.00 -2.00 0.00 0.00 55.36 54.03 3ubp s GLN 245 Cb 0.03 -2.87 -0.03 0.00 0.80 0.00 0.00 33.01 30.95 3ubp s GLN 245 CO 0.10 0.44 -0.03 0.08 -0.50 0.00 0.00 175.29 175.38 3ubp s VAL 246 N -1.55 3.96 -0.09 1.34 1.01 -1.26 -1.22 120.40 122.60 3ubp s VAL 246 Ca 0.40 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3ubp s VAL 246 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3ubp s VAL 246 CO 0.19 0.48 0.07 0.00 0.00 0.00 0.00 175.10 175.85 3ubp s ALA 247 N 0.44 3.57 -0.03 5.51 0.00 -0.18 -0.36 121.76 130.71 3ubp s ALA 247 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3ubp s ALA 247 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3ubp s ALA 247 CO 0.03 0.62 -0.19 -1.50 0.00 0.00 0.00 175.76 174.71 3ubp s ILE 248 N -0.99 1.53 -0.32 0.00 2.07 0.10 -0.96 121.20 122.62 3ubp s ILE 248 Ca 0.15 -0.81 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 3ubp s ILE 248 Cb -0.12 -1.29 0.08 0.00 0.13 0.00 0.00 42.46 41.27 3ubp s ILE 248 CO 0.05 0.43 0.02 -2.28 -1.91 0.00 0.00 174.94 171.25 3ubp s HIS 249 N -0.27 3.54 0.81 3.50 5.65 0.82 -2.24 115.29 127.10 3ubp s HIS 249 Ca 0.03 -2.60 -0.14 0.00 0.25 0.00 0.00 55.06 52.60 3ubp s HIS 249 Cb -0.09 -2.57 0.19 0.00 -1.18 0.00 0.00 32.58 28.92 3ubp s HIS 249 CO 0.01 -0.92 1.09 -1.13 -0.65 0.00 0.00 174.74 173.14 3ubp n SER 250 N 4.39 0.03 -4.56 9.88 3.41 -1.26 -2.00 113.62 123.51 3ubp n SER 250 Ca -0.04 -1.39 -0.35 0.00 -0.26 0.00 0.00 58.87 56.83 3ubp n SER 250 Cb 0.42 -0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3ubp n SER 250 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ubp s ASP 251 N -4.98 5.83 0.26 4.04 -1.08 -1.26 -3.75 116.67 115.74 3ubp s ASP 251 Ca 0.62 -0.88 -0.01 0.00 -0.52 0.00 0.00 52.55 51.76 3ubp s ASP 251 Cb -0.02 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.38 3ubp s ASP 251 CO 0.44 -2.09 1.80 0.74 0.52 0.00 0.00 175.17 176.58 3ubp h THR 252 N 6.90 0.86 0.00 1.71 2.02 -1.92 -1.48 112.91 121.00 3ubp h THR 252 Ca 0.07 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3ubp h THR 252 Cb 1.03 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ubp h THR 252 CO 1.31 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 177.28 3ubp h LEU 253 N 0.81 0.00 1.15 2.58 4.07 -1.88 -2.77 115.31 119.28 3ubp h LEU 253 Ca 0.46 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 58.02 3ubp h LEU 253 Cb 0.51 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.26 3ubp h LEU 253 CO -0.29 0.00 -0.57 0.59 -1.08 0.00 0.00 178.44 177.09 3ubp n ASN 254 N -2.52 -5.39 -0.06 -0.43 3.02 -0.56 -4.87 115.26 104.45 3ubp n ASN 254 Ca -0.00 -0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.15 3ubp n ASN 254 Cb 0.15 -4.39 -0.07 0.00 -0.61 0.00 0.00 39.78 34.85 3ubp n ASN 254 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ubp h GLU 255 N -1.09 0.45 -0.01 3.52 4.81 -1.89 -3.23 114.58 117.14 3ubp h GLU 255 Ca -0.49 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 3ubp h GLU 255 Cb 1.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3ubp h GLU 255 CO 0.55 0.86 -0.28 0.00 -0.73 0.00 0.00 179.01 179.41 3ubp n ALA 256 N -2.47 3.04 -3.59 2.92 0.00 -1.26 -5.05 120.51 114.11 3ubp n ALA 256 Ca -0.06 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 52.88 3ubp n ALA 256 Cb 0.44 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 3ubp n ALA 256 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ubp s GLY 257 N -1.71 -0.38 0.56 0.00 0.00 -1.22 -4.93 107.32 99.64 3ubp s GLY 257 Ca 0.12 1.34 0.08 0.00 0.00 0.00 0.00 44.72 46.27 3ubp s GLY 257 CO 0.35 0.36 0.77 -1.36 0.00 0.00 0.00 173.10 173.22 3ubp s PHE 258 N -2.02 1.71 0.28 1.90 0.08 -1.26 -4.19 117.98 114.48 3ubp s PHE 258 Ca 0.14 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 3ubp s PHE 258 Cb 0.04 -2.32 0.65 0.00 -0.57 0.00 0.00 43.02 40.82 3ubp s PHE 258 CO -0.05 -1.07 1.63 1.25 -0.10 0.00 0.00 175.22 176.88 3ubp h LEU 259 N 0.20 -0.19 -2.17 -0.37 5.85 -1.93 -0.23 115.31 116.46 3ubp h LEU 259 Ca -0.32 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3ubp h LEU 259 Cb 1.29 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 3ubp h LEU 259 CO 0.42 -0.21 -0.05 1.05 -0.34 0.00 0.00 178.44 179.31 3ubp h GLU 260 N 0.14 0.00 -0.18 1.25 9.09 -1.99 -0.76 114.58 122.13 3ubp h GLU 260 Ca 0.53 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.74 3ubp h GLU 260 Cb 1.05 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.15 3ubp h GLU 260 CO -0.71 0.05 -0.66 -0.44 0.05 0.00 0.00 179.01 177.30 3ubp h ASP 261 N 0.00 0.89 -0.63 3.06 3.32 -1.40 -0.29 116.42 121.36 3ubp h ASP 261 Ca -0.00 -0.61 -0.05 0.00 0.02 0.00 0.00 57.03 56.39 3ubp h ASP 261 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3ubp h ASP 261 CO 0.01 1.34 0.20 0.74 -1.72 0.00 0.00 179.24 179.81 3ubp h THR 262 N 0.48 1.25 -0.21 0.35 2.02 -0.97 -0.70 112.91 115.13 3ubp h THR 262 Ca -0.03 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 3ubp h THR 262 Cb 1.29 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3ubp h THR 262 CO 0.14 0.32 -0.20 -0.07 0.37 0.00 0.00 175.52 176.08 3ubp h LEU 263 N 0.90 0.37 -0.52 2.58 3.38 -1.08 0.11 115.31 121.05 3ubp h LEU 263 Ca 0.20 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3ubp h LEU 263 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ubp h LEU 263 CO -0.01 0.59 -0.33 -0.09 0.09 0.00 0.00 178.44 178.69 3ubp h ARG 264 N 0.35 0.84 -0.49 1.13 2.43 -0.68 -0.41 114.38 117.55 3ubp h ARG 264 Ca 0.06 -0.41 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 3ubp h ARG 264 Cb 0.56 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3ubp h ARG 264 CO 0.04 1.05 -0.10 0.00 -1.51 0.00 0.00 179.97 179.44 3ubp h ALA 265 N 0.91 0.89 -0.59 2.80 0.00 -0.62 -1.67 119.26 120.97 3ubp h ALA 265 Ca 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3ubp h ALA 265 Cb 0.89 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3ubp h ALA 265 CO 0.08 0.64 0.23 0.82 0.00 0.00 0.00 179.25 181.02 3ubp h ILE 266 N 0.81 1.21 -6.08 0.00 2.04 -0.52 -3.41 117.51 111.57 3ubp h ILE 266 Ca 0.13 -0.67 -0.44 0.00 1.00 0.00 0.00 64.86 64.89 3ubp h ILE 266 Cb 0.63 0.51 0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3ubp h ILE 266 CO 0.04 0.26 -0.72 -3.20 0.00 0.00 0.00 178.15 174.53 3ubp n ASN 267 N -4.32 -5.46 0.00 1.72 4.05 -0.19 -1.94 115.26 109.13 3ubp n ASN 267 Ca 0.05 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.41 3ubp n ASN 267 Cb 0.17 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 36.73 3ubp n ASN 267 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ubp n GLY 268 N -1.84 1.61 3.78 8.20 0.00 -1.26 -5.01 105.19 110.67 3ubp n GLY 268 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3ubp n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ubp s ARG 269 N -0.15 2.56 0.23 1.61 0.52 -0.82 -4.83 118.95 118.06 3ubp s ARG 269 Ca 0.00 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.11 3ubp s ARG 269 Cb 0.00 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 3ubp s ARG 269 CO 0.00 -1.42 1.09 0.08 0.02 0.00 0.00 175.30 175.07 3ubp s VAL 270 N -2.75 3.71 -0.09 3.52 1.01 -1.26 -4.80 120.40 119.75 3ubp s VAL 270 Ca 0.62 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 64.00 3ubp s VAL 270 Cb -0.17 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.23 3ubp s VAL 270 CO 0.51 0.33 0.47 -0.51 0.00 0.00 0.00 175.10 175.89 3ubp s ILE 271 N -0.69 0.02 -0.36 2.22 2.07 -0.92 -4.72 121.20 118.82 3ubp s ILE 271 Ca 0.47 -0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 59.37 3ubp s ILE 271 Cb -0.30 -0.73 -0.00 0.00 0.13 0.00 0.00 42.46 41.56 3ubp s ILE 271 CO 0.37 -0.10 0.42 -2.28 -1.91 0.00 0.00 174.94 171.44 3ubp s HIS 272 N -0.67 3.19 -0.52 3.50 5.65 0.52 -0.34 115.29 126.61 3ubp s HIS 272 Ca -0.08 -0.05 -0.23 0.00 0.25 0.00 0.00 55.06 54.95 3ubp s HIS 272 Cb -0.03 -2.79 0.04 0.00 -1.18 0.00 0.00 32.58 28.62 3ubp s HIS 272 CO 0.04 -0.52 0.86 0.45 -0.65 0.00 0.00 174.74 174.92 3ubp s SER 273 N 1.76 6.34 0.64 9.88 0.15 0.45 -0.72 113.70 132.19 3ubp s SER 273 Ca 0.14 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.25 3ubp s SER 273 Cb -0.16 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3ubp s SER 273 CO 0.13 -1.10 1.06 -0.36 1.20 0.00 0.00 173.24 174.16 3ubp s PHE 274 N 3.58 3.00 -0.21 3.44 0.08 -0.95 -0.84 117.98 126.09 3ubp s PHE 274 Ca 0.28 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.79 3ubp s PHE 274 Cb -0.14 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3ubp s PHE 274 CO 0.19 -1.20 0.14 -2.39 -0.10 0.00 0.00 175.22 171.85 3ubp n HIS 275 N -2.49 -0.41 0.28 0.36 1.44 -0.63 -4.75 115.22 109.02 3ubp n HIS 275 Ca 0.08 0.14 0.15 0.00 -2.01 0.00 0.00 57.72 56.09 3ubp n HIS 275 Cb 0.53 -0.61 0.82 0.00 0.12 0.00 0.00 29.99 30.85 3ubp n HIS 275 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 3ubp h VAL 276 N 1.01 0.38 -0.50 0.61 3.04 -0.81 -0.47 116.25 119.50 3ubp h VAL 276 Ca -0.15 -0.41 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 3ubp h VAL 276 Cb 0.31 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 3ubp h VAL 276 CO 0.09 0.07 0.03 -0.08 -1.01 0.00 0.00 177.57 176.67 3ubp h GLU 277 N 0.00 0.81 0.00 4.17 4.22 -1.85 -2.68 114.58 119.25 3ubp h GLU 277 Ca -0.00 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.23 3ubp h GLU 277 Cb 0.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ubp h GLU 277 CO 0.01 0.79 0.00 0.41 -2.18 0.00 0.00 179.01 178.04 3ubp n GLY 278 N -0.69 0.52 0.32 1.92 0.00 -0.19 -4.46 105.19 102.62 3ubp n GLY 278 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3ubp n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ubp h ALA 279 N 0.00 1.07 0.00 4.61 0.00 -1.79 0.46 119.26 123.60 3ubp h ALA 279 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ubp h ALA 279 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ubp h ALA 279 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3ubp n GLY 280 N -1.30 -1.03 0.00 0.00 0.00 -1.26 -4.89 105.19 96.71 3ubp n GLY 280 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ubp n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ubp n GLY 281 N 0.29 4.88 0.00 -0.02 0.00 0.15 -5.00 105.19 105.49 3ubp n GLY 281 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3ubp n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ubp n GLY 282 N -1.91 4.64 0.89 -0.02 0.00 -1.25 -4.38 105.19 103.17 3ubp n GLY 282 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 3ubp n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ubp n HIS 283 N -2.00 0.38 -3.39 1.61 8.25 -1.21 -4.10 115.22 114.76 3ubp n HIS 283 Ca 0.00 0.25 -0.37 0.00 -0.26 0.00 0.00 57.72 57.33 3ubp n HIS 283 Cb 0.00 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 3ubp n HIS 283 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ubp s ALA 284 N 1.12 3.53 -1.97 -1.41 0.00 -1.04 -1.24 121.76 120.74 3ubp s ALA 284 Ca 0.28 -0.26 0.17 0.00 0.00 0.00 0.00 51.96 52.15 3ubp s ALA 284 Cb -0.38 -2.56 0.20 0.00 0.00 0.00 0.00 23.12 20.39 3ubp s ALA 284 CO 0.19 0.07 1.11 -0.35 0.00 0.00 0.00 175.76 176.78 3ubp n PRO 285 N 3.45 1.64 -0.76 0.00 -0.04 -1.26 -4.93 135.00 133.10 3ubp n PRO 285 Ca -0.09 -1.68 -0.01 0.00 -0.04 0.00 0.00 63.50 61.68 3ubp n PRO 285 Cb 0.52 -1.34 0.26 0.00 -0.04 0.00 0.00 33.50 32.89 3ubp n PRO 285 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ubp n ASP 286 N 0.97 3.81 0.29 3.54 5.75 -0.97 -4.64 116.55 125.29 3ubp n ASP 286 Ca 0.11 -3.32 0.14 0.00 -0.01 0.00 0.00 54.79 51.72 3ubp n ASP 286 Cb 0.44 -0.65 0.85 0.00 -1.03 0.00 0.00 41.12 40.73 3ubp n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3ubp h ILE 287 N 1.83 0.59 0.00 2.12 6.09 -1.46 -1.98 117.51 124.70 3ubp h ILE 287 Ca 0.17 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.54 3ubp h ILE 287 Cb 1.86 1.08 0.00 0.00 0.47 0.00 0.00 36.82 40.22 3ubp h ILE 287 CO 0.47 0.03 0.00 0.80 -3.07 0.00 0.00 178.15 176.38 3ubp n MET 288 N -3.87 0.18 0.08 2.19 1.56 -1.01 -1.44 117.12 114.81 3ubp n MET 288 Ca -0.03 0.47 0.10 0.00 -0.27 0.00 0.00 57.70 57.97 3ubp n MET 288 Cb 0.12 -1.89 0.42 0.00 2.15 0.00 0.00 33.22 34.02 3ubp n MET 288 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3ubp n ALA 289 N -1.77 1.68 0.25 -5.12 0.00 -0.75 -1.46 120.51 113.34 3ubp n ALA 289 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3ubp n ALA 289 Cb 0.19 -1.33 0.69 0.00 0.00 0.00 0.00 19.45 18.99 3ubp n ALA 289 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ubp h MET 290 N 0.00 0.00 0.00 0.00 2.07 -1.46 -1.91 114.93 113.62 3ubp h MET 290 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3ubp h MET 290 Cb 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 3ubp h MET 290 CO 0.00 0.00 0.00 0.00 1.07 0.00 0.00 176.91 177.98 3ubp n ALA 291 N -2.51 2.13 0.52 6.32 0.00 -0.54 -2.08 120.51 124.34 3ubp n ALA 291 Ca -0.02 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3ubp n ALA 291 Cb 0.13 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 18.35 3ubp n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ubp n GLY 292 N 0.29 -1.33 3.83 0.00 0.00 -0.72 -4.77 105.19 102.49 3ubp n GLY 292 Ca 0.12 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3ubp n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ubp s HIS 293 N -3.20 3.49 -0.08 1.61 4.02 -0.89 -1.96 115.29 118.28 3ubp s HIS 293 Ca 0.04 1.38 0.26 0.00 1.02 0.00 0.00 55.06 57.77 3ubp s HIS 293 Cb 0.13 -2.64 0.82 0.00 -1.02 0.00 0.00 32.58 29.88 3ubp s HIS 293 CO 0.76 0.16 1.78 -1.00 1.02 0.00 0.00 174.74 177.47 3ubp h PRO 294 N 2.71 0.00 -0.39 8.40 0.13 -1.93 -2.74 132.00 138.17 3ubp h PRO 294 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ubp h PRO 294 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ubp h PRO 294 CO 0.65 0.10 0.00 0.27 -0.23 0.00 0.00 178.00 178.79 3ubp n ASN 295 N -3.18 3.00 -4.64 1.44 6.94 -1.26 -0.71 115.26 116.86 3ubp n ASN 295 Ca 0.02 -1.93 -0.35 0.00 -0.02 0.00 0.00 54.58 52.30 3ubp n ASN 295 Cb 0.44 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.51 3ubp n ASN 295 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ubp s VAL 296 N -1.49 4.51 -0.51 3.53 1.01 -1.04 -2.17 120.40 124.25 3ubp s VAL 296 Ca 0.38 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 3ubp s VAL 296 Cb 0.21 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.75 3ubp s VAL 296 CO 0.29 0.52 0.39 -0.76 0.00 0.00 0.00 175.10 175.54 3ubp s LEU 297 N -0.12 5.75 -0.12 3.92 1.43 0.54 -4.12 118.68 125.95 3ubp s LEU 297 Ca 0.05 -2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 50.91 3ubp s LEU 297 Cb -0.12 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3ubp s LEU 297 CO 0.02 -0.67 0.59 -2.16 0.23 0.00 0.00 176.35 174.36 3ubp s PRO 298 N 1.17 4.34 0.16 1.29 0.04 -1.26 -0.41 135.00 140.33 3ubp s PRO 298 Ca 0.07 0.63 0.09 0.00 0.04 0.00 0.00 61.00 61.83 3ubp s PRO 298 Cb -0.25 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 3ubp s PRO 298 CO -0.01 0.02 -0.20 -1.54 0.04 0.00 0.00 177.00 175.31 3ubp s SER 299 N 0.84 2.83 0.13 6.66 1.04 -0.02 -2.24 113.70 122.94 3ubp s SER 299 Ca 0.30 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.92 3ubp s SER 299 Cb -0.16 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 3ubp s SER 299 CO 0.13 0.02 0.21 -0.44 0.98 0.00 0.00 173.24 174.14 3ubp s SER 300 N -2.55 6.04 0.55 7.02 0.01 -0.41 -0.27 113.70 124.09 3ubp s SER 300 Ca 0.15 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.53 3ubp s SER 300 Cb -0.07 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.46 3ubp s SER 300 CO 0.07 0.08 0.76 0.42 0.41 0.00 0.00 173.24 174.99 3ubp s THR 301 N -1.68 2.61 -0.90 1.44 -4.23 -1.26 -1.79 115.64 109.82 3ubp s THR 301 Ca 0.33 -0.76 0.23 0.00 -1.18 0.00 0.00 61.69 60.30 3ubp s THR 301 Cb -0.11 -2.85 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 3ubp s THR 301 CO 0.26 0.00 1.07 -0.46 -0.54 0.00 0.00 174.62 174.96 3ubp n ASN 302 N -2.29 0.74 0.19 3.99 0.23 -1.09 -4.31 115.26 112.73 3ubp n ASN 302 Ca 0.10 -0.60 0.14 0.00 -0.53 0.00 0.00 54.58 53.69 3ubp n ASN 302 Cb 0.60 0.76 0.49 0.00 -2.08 0.00 0.00 39.78 39.55 3ubp n ASN 302 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3ubp h PRO 303 N 0.00 0.00 -0.13 -0.53 0.11 -1.83 -0.23 132.00 129.39 3ubp h PRO 303 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ubp h PRO 303 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3ubp h PRO 303 CO 0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 3ubp n THR 304 N -2.68 0.16 -3.88 -1.15 -2.24 -1.26 -4.82 114.28 98.40 3ubp n THR 304 Ca 0.02 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 3ubp n THR 304 Cb 0.34 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 3ubp n THR 304 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ubp s ARG 305 N -1.84 3.72 0.01 -0.78 1.81 -0.10 -3.49 118.95 118.27 3ubp s ARG 305 Ca 0.34 -0.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.90 3ubp s ARG 305 Cb 0.19 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 3ubp s ARG 305 CO 0.29 -0.05 0.01 -0.35 -0.68 0.00 0.00 175.30 174.53 3ubp n PRO 306 N 4.49 0.51 -2.47 3.54 -0.04 -1.26 -4.79 135.00 134.97 3ubp n PRO 306 Ca -0.16 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 3ubp n PRO 306 Cb 0.52 -0.01 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 3ubp n PRO 306 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3ubp s PHE 307 N -0.00 2.64 0.35 0.54 5.36 -1.23 -4.96 117.98 120.68 3ubp s PHE 307 Ca 0.01 0.75 0.06 0.00 -0.96 0.00 0.00 56.93 56.78 3ubp s PHE 307 Cb -0.00 -4.27 -0.07 0.00 -0.34 0.00 0.00 43.02 38.34 3ubp s PHE 307 CO 0.01 -1.60 0.01 0.95 -1.46 0.00 0.00 175.22 173.13 3ubp s THR 308 N 4.81 1.61 0.49 0.12 -4.23 -1.26 -2.20 115.64 114.98 3ubp s THR 308 Ca 0.54 -2.03 0.37 0.00 -1.18 0.00 0.00 61.69 59.39 3ubp s THR 308 Cb -0.11 -2.80 0.40 0.00 1.34 0.00 0.00 72.50 71.32 3ubp s THR 308 CO 0.30 -0.06 2.22 -0.37 -0.54 0.00 0.00 174.62 176.16 3ubp h VAL 309 N 2.02 0.17 -0.01 2.29 -1.51 -1.53 -2.04 116.25 115.64 3ubp h VAL 309 Ca -0.42 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 3ubp h VAL 309 Cb 1.24 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3ubp h VAL 309 CO 0.73 0.02 -0.51 0.59 -1.23 0.00 0.00 177.57 177.18 3ubp n ASN 310 N -3.28 1.51 0.04 4.19 3.02 -1.26 -4.63 115.26 114.85 3ubp n ASN 310 Ca -0.02 -1.19 -0.14 0.00 -0.03 0.00 0.00 54.58 53.20 3ubp n ASN 310 Cb 0.16 0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 3ubp n ASN 310 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3ubp h THR 311 N 1.57 0.10 -0.85 3.41 2.02 -1.73 -3.03 112.91 114.40 3ubp h THR 311 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3ubp h THR 311 Cb 0.64 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3ubp h THR 311 CO 0.00 0.00 0.56 0.40 0.37 0.00 0.00 175.52 176.85 3ubp h ILE 312 N -0.58 1.18 -0.22 3.11 1.08 -1.82 -3.05 117.51 117.22 3ubp h ILE 312 Ca 0.05 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3ubp h ILE 312 Cb 0.67 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3ubp h ILE 312 CO -0.36 0.20 -0.14 0.44 -0.69 0.00 0.00 178.15 177.61 3ubp h ASP 313 N 1.11 0.34 1.08 1.72 3.32 -1.83 -2.04 116.42 120.13 3ubp h ASP 313 Ca 0.33 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3ubp h ASP 313 Cb -0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ubp h ASP 313 CO -0.09 0.51 -0.32 1.05 -1.72 0.00 0.00 179.24 178.67 3ubp h GLU 314 N 0.33 0.00 -0.23 3.56 4.11 -1.42 -3.39 114.58 117.54 3ubp h GLU 314 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.35 3ubp h GLU 314 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ubp h GLU 314 CO 0.03 0.32 -0.47 0.45 0.07 0.00 0.00 179.01 179.41 3ubp h HIS 315 N 0.00 0.72 0.34 2.06 3.86 -1.40 -3.30 115.15 117.44 3ubp h HIS 315 Ca -0.00 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 3ubp h HIS 315 Cb 0.94 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 3ubp h HIS 315 CO 0.00 0.95 -0.31 1.25 0.86 0.00 0.00 177.93 180.68 3ubp h LEU 316 N 0.48 -0.84 -1.78 2.43 5.85 -1.77 -1.83 115.31 117.84 3ubp h LEU 316 Ca 0.03 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3ubp h LEU 316 Cb 0.99 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3ubp h LEU 316 CO 0.09 -0.42 0.17 0.44 -0.34 0.00 0.00 178.44 178.38 3ubp h ASP 317 N -0.64 0.25 0.11 1.25 3.32 -1.87 -1.92 116.42 116.92 3ubp h ASP 317 Ca -0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3ubp h ASP 317 Cb 0.55 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ubp h ASP 317 CO -0.02 0.18 -0.05 -0.03 -1.72 0.00 0.00 179.24 177.60 3ubp h MET 318 N 0.30 -0.14 -0.03 3.56 4.05 -1.53 -1.54 114.93 119.60 3ubp h MET 318 Ca 0.10 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3ubp h MET 318 Cb 0.04 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3ubp h MET 318 CO -0.02 0.03 -0.03 1.25 0.23 0.00 0.00 176.91 178.37 3ubp h LEU 319 N -0.28 -0.08 -0.72 3.39 6.46 -1.15 -0.94 115.31 121.98 3ubp h LEU 319 Ca -0.01 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 3ubp h LEU 319 Cb 0.23 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 3ubp h LEU 319 CO 0.02 -0.04 0.39 0.24 -0.62 0.00 0.00 178.44 178.44 3ubp h MET 320 N -0.03 0.67 -0.36 1.25 2.86 -1.21 -2.07 114.93 116.04 3ubp h MET 320 Ca 0.02 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3ubp h MET 320 Cb 0.07 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3ubp h MET 320 CO -0.05 0.44 -0.02 0.28 1.06 0.00 0.00 176.91 178.62 3ubp h VAL 321 N 0.69 1.26 -0.39 -2.22 2.07 -0.98 -1.07 116.25 115.62 3ubp h VAL 321 Ca 0.34 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3ubp h VAL 321 Cb 0.28 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3ubp h VAL 321 CO -0.23 0.34 0.19 0.00 0.02 0.00 0.00 177.57 177.90 3ubp n HIS 323 N -4.72 1.28 -3.82 0.00 -0.00 -0.81 -3.78 115.22 103.38 3ubp n HIS 323 Ca -0.00 -0.47 -0.29 0.00 -0.00 0.00 0.00 57.72 56.96 3ubp n HIS 323 Cb 0.10 -0.30 0.01 0.00 -0.00 0.00 0.00 29.99 29.81 3ubp n HIS 323 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 3ubp n HIS 324 N 0.58 -1.77 -3.58 4.41 -0.00 -0.98 -4.97 115.22 108.91 3ubp n HIS 324 Ca 0.19 0.58 -0.20 0.00 -0.00 0.00 0.00 57.72 58.29 3ubp n HIS 324 Cb 0.80 -3.59 -0.01 0.00 -0.00 0.00 0.00 29.99 27.19 3ubp n HIS 324 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ubp s LEU 325 N -6.74 3.90 -0.11 0.27 1.43 -0.44 -5.06 118.68 111.92 3ubp s LEU 325 Ca 0.25 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3ubp s LEU 325 Cb -0.09 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3ubp s LEU 325 CO 0.88 -0.39 -0.17 -0.54 0.23 0.00 0.00 176.35 176.35 3ubp s LYS 326 N -4.12 2.39 0.64 1.70 3.01 -1.26 -4.79 119.74 117.31 3ubp s LYS 326 Ca 0.43 -0.63 0.41 0.00 -1.01 0.00 0.00 55.97 55.18 3ubp s LYS 326 Cb -0.09 -1.98 2.20 0.00 -1.01 0.00 0.00 37.83 36.95 3ubp s LYS 326 CO 0.30 -0.03 2.30 1.96 0.51 0.00 0.00 175.35 180.39 3ubp h GLN 327 N 7.31 0.00 -0.04 1.68 4.20 -1.98 0.23 115.11 126.52 3ubp h GLN 327 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3ubp h GLN 327 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3ubp h GLN 327 CO 0.50 0.01 0.00 0.27 -0.67 0.00 0.00 178.83 178.93 3ubp n ASN 328 N -3.16 0.98 -4.25 1.46 2.04 -1.26 -4.58 115.26 106.49 3ubp n ASN 328 Ca -0.02 -1.41 -0.37 0.00 -0.44 0.00 0.00 54.58 52.34 3ubp n ASN 328 Cb 0.11 -0.02 -0.12 0.00 -2.53 0.00 0.00 39.78 37.22 3ubp n ASN 328 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3ubp s ILE 329 N -1.96 3.64 0.26 1.53 -1.09 0.07 -5.02 121.20 118.64 3ubp s ILE 329 Ca 0.38 -1.22 -0.03 0.00 -2.23 0.00 0.00 60.65 57.56 3ubp s ILE 329 Cb 0.20 -3.09 0.26 0.00 -1.58 0.00 0.00 42.46 38.25 3ubp s ILE 329 CO 0.31 -0.19 1.88 -0.65 -1.23 0.00 0.00 174.94 175.06 3ubp h PRO 330 N 8.18 1.11 -0.04 2.79 0.11 -1.83 -1.43 132.00 140.90 3ubp h PRO 330 Ca -0.22 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 3ubp h PRO 330 Cb 1.08 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3ubp h PRO 330 CO 0.60 0.74 -0.40 0.93 -0.21 0.00 0.00 178.00 179.66 3ubp h GLU 331 N 1.15 0.08 0.09 1.05 3.07 -1.95 0.62 114.58 118.67 3ubp h GLU 331 Ca 0.43 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3ubp h GLU 331 Cb 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3ubp h GLU 331 CO -0.18 0.47 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.42 3ubp h ASP 332 N 0.07 -0.10 -0.84 1.42 5.19 -1.59 0.93 116.42 121.50 3ubp h ASP 332 Ca 0.00 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.25 3ubp h ASP 332 Cb 0.74 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 3ubp h ASP 332 CO 0.05 0.12 0.55 0.58 -3.12 0.00 0.00 179.24 177.43 3ubp h VAL 333 N -0.31 1.20 -0.41 -1.35 2.07 -0.98 0.69 116.25 117.17 3ubp h VAL 333 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3ubp h VAL 333 Cb 0.27 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ubp h VAL 333 CO 0.02 0.21 0.21 0.00 0.02 0.00 0.00 177.57 178.02 3ubp h ALA 334 N 1.31 0.52 0.32 1.67 0.00 0.39 0.12 119.26 123.60 3ubp h ALA 334 Ca 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ubp h ALA 334 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ubp h ALA 334 CO -0.07 0.07 -0.27 0.35 0.00 0.00 0.00 179.25 179.33 3ubp h PHE 335 N 0.52 -0.71 -0.23 0.00 3.57 -0.45 0.68 116.94 120.32 3ubp h PHE 335 Ca 0.14 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3ubp h PHE 335 Cb 0.09 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3ubp h PHE 335 CO -0.02 -0.40 -0.25 0.00 -2.23 0.00 0.00 178.31 175.42 3ubp h ALA 336 N -0.01 -0.15 -0.19 2.41 0.00 -0.71 -2.30 119.26 118.31 3ubp h ALA 336 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ubp h ALA 336 Cb 0.53 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ubp h ALA 336 CO -0.02 -0.68 0.08 0.22 0.00 0.00 0.00 179.25 178.85 3ubp h ASP 337 N -0.26 0.23 0.96 0.00 1.82 -0.45 -2.20 116.42 116.52 3ubp h ASP 337 Ca 0.13 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 3ubp h ASP 337 Cb 0.47 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 3ubp h ASP 337 CO -0.38 0.21 -0.07 0.77 -1.61 0.00 0.00 179.24 178.16 3ubp h SER 338 N 0.26 0.00 1.52 2.28 4.64 -0.27 -2.18 113.55 119.80 3ubp h SER 338 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ubp h SER 338 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3ubp h SER 338 CO -0.01 0.07 0.00 0.03 -0.87 0.00 0.00 176.83 176.05 3ubp h ARG 339 N 0.00 0.00 -4.50 4.77 3.08 -1.37 -3.45 114.38 112.91 3ubp h ARG 339 Ca -0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3ubp h ARG 339 Cb 0.57 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.31 3ubp h ARG 339 CO 0.01 0.00 -0.53 0.42 -1.07 0.00 0.00 179.97 178.80 3ubp s ILE 340 N -3.15 3.66 -0.05 2.04 1.01 -0.82 -3.27 121.20 120.61 3ubp s ILE 340 Ca 0.09 -1.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 3ubp s ILE 340 Cb 0.11 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.27 3ubp s ILE 340 CO 0.60 -0.54 0.03 -0.13 0.00 0.00 0.00 174.94 174.89 3ubp s ARG 341 N 1.28 0.26 0.29 2.79 0.52 -1.26 -5.01 118.95 117.82 3ubp s ARG 341 Ca 0.04 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.46 3ubp s ARG 341 Cb -0.23 -0.69 0.42 0.00 0.52 0.00 0.00 34.95 34.98 3ubp s ARG 341 CO -0.01 -0.28 1.84 -1.00 0.02 0.00 0.00 175.30 175.87 3ubp h PRO 342 N 8.18 0.83 -0.59 3.54 0.13 -1.98 -1.77 132.00 140.33 3ubp h PRO 342 Ca -0.21 -0.16 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3ubp h PRO 342 Cb 1.12 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 3ubp h PRO 342 CO 0.25 0.73 0.35 0.93 -0.23 0.00 0.00 178.00 180.03 3ubp h GLU 343 N 0.81 0.66 0.09 0.86 3.07 -1.93 0.12 114.58 118.26 3ubp h GLU 343 Ca 0.18 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.72 3ubp h GLU 343 Cb 0.25 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3ubp h GLU 343 CO -0.01 0.44 -1.37 1.79 -1.40 0.00 0.00 179.01 178.47 3ubp h THR 344 N 0.68 1.33 -0.48 1.13 1.35 -1.69 -2.82 112.91 112.42 3ubp h THR 344 Ca 0.24 -2.98 -0.04 0.00 -0.55 0.00 0.00 66.41 63.09 3ubp h THR 344 Cb 0.05 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3ubp h THR 344 CO -0.12 0.84 0.15 0.40 -0.25 0.00 0.00 175.52 176.55 3ubp h ILE 345 N 0.05 1.23 -0.95 6.82 2.04 -1.17 0.14 117.51 125.66 3ubp h ILE 345 Ca -0.17 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3ubp h ILE 345 Cb 1.96 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 3ubp h ILE 345 CO 0.16 0.27 0.59 0.00 0.00 0.00 0.00 178.15 179.17 3ubp h ALA 346 N 1.01 1.21 -0.02 1.87 0.00 -0.85 -2.20 119.26 120.28 3ubp h ALA 346 Ca 0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ubp h ALA 346 Cb 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ubp h ALA 346 CO -0.01 0.66 -0.58 0.00 0.00 0.00 0.00 179.25 179.32 3ubp h ALA 347 N 1.32 0.99 -0.83 0.00 0.00 -1.21 -2.58 119.26 116.95 3ubp h ALA 347 Ca 0.34 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ubp h ALA 347 Cb -0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3ubp h ALA 347 CO -0.07 0.72 0.54 1.49 0.00 0.00 0.00 179.25 181.94 3ubp h GLU 348 N 0.06 0.83 0.10 0.00 4.81 -0.10 0.34 114.58 120.62 3ubp h GLU 348 Ca -0.00 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3ubp h GLU 348 Cb 1.04 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3ubp h GLU 348 CO 0.08 0.55 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.28 3ubp h ASP 349 N 0.85 -0.52 -0.34 1.04 3.32 -1.23 -2.13 116.42 117.41 3ubp h ASP 349 Ca 0.37 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 3ubp h ASP 349 Cb 0.34 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3ubp h ASP 349 CO -0.14 -0.27 0.13 0.40 -1.72 0.00 0.00 179.24 177.64 3ubp h ILE 350 N -0.36 1.19 -0.97 0.35 2.04 -1.33 -2.33 117.51 116.11 3ubp h ILE 350 Ca 0.03 -0.58 0.14 0.00 1.00 0.00 0.00 64.86 65.44 3ubp h ILE 350 Cb 0.38 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3ubp h ILE 350 CO -0.10 0.20 0.61 -0.07 0.00 0.00 0.00 178.15 178.79 3ubp h LEU 351 N 0.40 0.81 -0.29 1.44 3.38 -0.90 -0.43 115.31 119.73 3ubp h LEU 351 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ubp h LEU 351 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ubp h LEU 351 CO -0.01 0.40 0.15 0.45 0.09 0.00 0.00 178.44 179.53 3ubp h HIS 352 N 0.85 0.40 -0.15 1.13 3.86 -1.15 0.15 115.15 120.24 3ubp h HIS 352 Ca 0.49 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.67 3ubp h HIS 352 Cb 0.64 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3ubp h HIS 352 CO -0.00 0.34 -0.01 0.22 0.86 0.00 0.00 177.93 179.33 3ubp h ASP 353 N 0.34 0.19 0.55 2.45 3.58 -0.77 -2.08 116.42 120.69 3ubp h ASP 353 Ca 0.10 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3ubp h ASP 353 Cb 0.08 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3ubp h ASP 353 CO -0.02 0.25 -0.24 0.18 -2.88 0.00 0.00 179.24 176.54 3ubp n LEU 354 N -4.40 0.43 0.00 2.28 4.77 -0.26 -4.93 117.00 114.90 3ubp n LEU 354 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ubp n LEU 354 Cb 0.17 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ubp n LEU 354 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3ubp n GLY 355 N 1.42 0.39 0.10 -0.72 0.00 -0.78 -4.80 105.19 100.80 3ubp n GLY 355 Ca 0.09 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 3ubp n GLY 355 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ubp n ILE 356 N -3.54 1.55 -3.51 -0.61 5.41 0.47 -2.88 119.36 116.25 3ubp n ILE 356 Ca 0.00 -0.77 -0.38 0.00 1.00 0.00 0.00 62.75 62.60 3ubp n ILE 356 Cb 0.28 -1.01 -0.10 0.00 -0.71 0.00 0.00 39.64 38.10 3ubp n ILE 356 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3ubp s ILE 357 N -2.55 5.25 -0.24 1.39 1.01 -1.00 -4.80 121.20 120.27 3ubp s ILE 357 Ca -0.13 0.35 0.22 0.00 0.00 0.00 0.00 60.65 61.08 3ubp s ILE 357 Cb 0.07 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3ubp s ILE 357 CO 0.79 0.22 1.07 0.28 0.00 0.00 0.00 174.94 177.30 3ubp h SER 358 N 8.23 0.00 -5.12 3.58 0.02 -1.69 -3.41 113.55 115.16 3ubp h SER 358 Ca -0.34 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.47 3ubp h SER 358 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 3ubp h SER 358 CO 0.60 0.08 -0.68 -0.04 -1.14 0.00 0.00 176.83 175.64 3ubp s MET 359 N -3.29 0.48 0.34 3.45 -1.94 -0.99 -4.07 119.30 113.28 3ubp s MET 359 Ca -0.00 -0.93 0.08 0.00 -1.71 0.00 0.00 55.69 53.13 3ubp s MET 359 Cb 0.09 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 37.05 3ubp s MET 359 CO 0.78 -0.09 0.13 -1.64 -0.01 0.00 0.00 175.02 174.19 3ubp s MET 360 N -2.77 2.33 0.02 2.03 1.00 -0.15 -1.29 119.30 120.47 3ubp s MET 360 Ca -0.04 -1.58 -0.29 0.00 0.00 0.00 0.00 55.69 53.78 3ubp s MET 360 Cb -0.00 -2.14 0.10 0.00 0.00 0.00 0.00 34.83 32.79 3ubp s MET 360 CO -0.06 0.10 1.15 -1.54 0.00 0.00 0.00 175.02 174.68 3ubp s SER 361 N -3.83 -0.13 -0.22 3.03 1.04 -0.74 -4.71 113.70 108.15 3ubp s SER 361 Ca 0.37 -0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 3ubp s SER 361 Cb -0.02 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.26 3ubp s SER 361 CO 0.22 -0.50 -0.14 0.35 0.98 0.00 0.00 173.24 174.15 3ubp n THR 362 N -0.42 1.51 -2.15 2.02 -2.24 -1.26 -2.65 114.28 109.09 3ubp n THR 362 Ca -0.07 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3ubp n THR 362 Cb 0.62 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 3ubp n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ubp n ASP 363 N -4.40 -1.69 -4.35 3.42 -0.08 0.07 -2.84 116.55 106.67 3ubp n ASP 363 Ca -0.33 -0.01 -0.62 0.00 -1.51 0.00 0.00 54.79 52.31 3ubp n ASP 363 Cb 0.66 -0.96 -0.09 0.00 2.34 0.00 0.00 41.12 43.07 3ubp n ASP 363 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ubp n ALA 364 N -1.42 -1.17 -0.97 -1.67 0.00 -1.18 -1.48 120.51 112.62 3ubp n ALA 364 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3ubp n ALA 364 Cb 0.52 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3ubp n ALA 364 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ubp n LEU 365 N 3.88 0.44 -3.04 0.00 4.77 -0.32 -3.37 117.00 119.36 3ubp n LEU 365 Ca 0.30 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3ubp n LEU 365 Cb -0.05 -1.29 0.01 0.00 -2.33 0.00 0.00 43.42 39.75 3ubp n LEU 365 CO 0.83 -0.41 -0.07 0.00 -1.33 0.00 0.00 177.39 176.40 3ubp n ALA 366 N 1.00 1.42 -2.09 -1.18 0.00 -0.55 -4.86 120.51 114.25 3ubp n ALA 366 Ca 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 53.44 50.53 3ubp n ALA 366 Cb 0.19 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.67 3ubp n ALA 366 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ubp n MET 367 N 0.26 -0.88 -3.63 0.00 2.81 -1.24 -4.93 117.12 109.50 3ubp n MET 367 Ca 0.19 0.15 -0.03 0.00 -1.81 0.00 0.00 57.70 56.20 3ubp n MET 367 Cb 0.68 -2.78 -0.04 0.00 -0.71 0.00 0.00 33.22 30.37 3ubp n MET 367 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ubp s GLY 368 N -3.18 0.03 -0.30 3.03 0.00 -0.83 -4.52 107.32 101.55 3ubp s GLY 368 Ca 0.03 2.68 -0.09 0.00 0.00 0.00 0.00 44.72 47.34 3ubp s GLY 368 CO 0.13 1.07 0.14 0.50 0.00 0.00 0.00 173.10 174.94 3ubp s ARG 369 N -1.09 3.35 0.57 2.90 0.52 -1.23 -1.18 118.95 122.80 3ubp s ARG 369 Ca 0.08 -0.70 0.28 0.00 -0.52 0.00 0.00 55.73 54.87 3ubp s ARG 369 Cb -0.01 -3.52 1.50 0.00 0.52 0.00 0.00 34.95 33.43 3ubp s ARG 369 CO -0.06 -0.39 1.95 0.00 0.02 0.00 0.00 175.30 176.82 3ubp h ALA 370 N 8.33 2.22 -0.24 2.13 0.00 -1.91 -2.17 119.26 127.62 3ubp h ALA 370 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ubp h ALA 370 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ubp h ALA 370 CO 0.61 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3ubp n GLY 371 N -1.53 3.83 0.25 0.00 0.00 -1.26 -3.96 105.19 102.52 3ubp n GLY 371 Ca 0.08 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.29 3ubp n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ubp n GLU 372 N -0.40 0.78 -0.02 1.61 1.02 -0.82 -4.64 120.64 118.17 3ubp n GLU 372 Ca 0.18 -1.97 -0.13 0.00 -0.02 0.00 0.00 57.16 55.22 3ubp n GLU 372 Cb 0.74 -1.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.96 3ubp n GLU 372 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3ubp h MET 373 N 0.01 0.02 -0.15 3.49 4.05 -1.83 -1.87 114.93 118.66 3ubp h MET 373 Ca -0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3ubp h MET 373 Cb 1.16 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3ubp h MET 373 CO 0.00 0.49 -0.04 0.28 0.23 0.00 0.00 176.91 177.88 3ubp h VAL 374 N -0.44 1.29 -0.32 -5.77 2.07 -1.87 -2.58 116.25 108.63 3ubp h VAL 374 Ca 0.00 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.60 3ubp h VAL 374 Cb 0.49 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 3ubp h VAL 374 CO 0.00 0.29 -0.36 0.25 0.02 0.00 0.00 177.57 177.78 3ubp h LEU 375 N -0.02 -1.16 -0.47 2.57 5.85 -1.58 -2.49 115.31 118.01 3ubp h LEU 375 Ca 0.04 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3ubp h LEU 375 Cb 0.46 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3ubp h LEU 375 CO 0.01 -0.35 0.00 0.03 -0.34 0.00 0.00 178.44 177.80 3ubp h ARG 376 N -0.32 0.00 -0.15 1.25 3.08 -1.37 -2.63 114.38 114.24 3ubp h ARG 376 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3ubp h ARG 376 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ubp h ARG 376 CO -0.50 0.00 0.06 1.15 -1.07 0.00 0.00 179.97 179.61 3ubp h THR 377 N 0.00 1.16 -0.21 2.04 2.02 -1.02 -1.52 112.91 115.37 3ubp h THR 377 Ca 0.00 -0.49 -0.17 0.00 0.77 0.00 0.00 66.41 66.52 3ubp h THR 377 Cb 0.76 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3ubp h THR 377 CO 0.00 0.15 -0.56 -0.50 0.37 0.00 0.00 175.52 174.98 3ubp h TRP 378 N 0.09 0.83 -0.92 3.16 4.06 -1.40 -1.87 115.95 119.89 3ubp h TRP 378 Ca 0.05 -0.30 0.04 0.00 2.06 0.00 0.00 58.89 60.75 3ubp h TRP 378 Cb 0.18 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 3ubp h TRP 378 CO -0.01 1.07 0.59 1.96 -3.56 0.00 0.00 178.44 178.49 3ubp h GLN 379 N 0.50 1.09 -0.20 0.49 4.20 -1.45 -0.26 115.11 119.48 3ubp h GLN 379 Ca 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3ubp h GLN 379 Cb 1.13 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3ubp h GLN 379 CO 0.11 0.72 0.01 1.15 -0.67 0.00 0.00 178.83 180.16 3ubp h THR 380 N 1.13 1.24 -0.86 -0.54 2.02 -1.10 -1.33 112.91 113.47 3ubp h THR 380 Ca 0.38 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3ubp h THR 380 Cb 0.06 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3ubp h THR 380 CO -0.14 0.25 0.46 0.00 0.37 0.00 0.00 175.52 176.47 3ubp h ALA 381 N 0.81 1.11 -0.58 6.16 0.00 -1.02 -0.43 119.26 125.29 3ubp h ALA 381 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ubp h ALA 381 Cb 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ubp h ALA 381 CO 0.01 0.63 0.30 0.22 0.00 0.00 0.00 179.25 180.41 3ubp h ASP 382 N 1.21 0.74 -0.19 0.00 3.58 -1.00 -1.07 116.42 119.70 3ubp h ASP 382 Ca 0.30 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.54 3ubp h ASP 382 Cb 0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3ubp h ASP 382 CO -0.05 0.64 -0.21 0.50 -2.88 0.00 0.00 179.24 177.24 3ubp h LYS 383 N 0.79 0.64 -0.33 0.28 3.64 -0.55 -1.98 116.57 119.05 3ubp h LYS 383 Ca 0.20 -0.24 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3ubp h LYS 383 Cb 0.08 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ubp h LYS 383 CO -0.03 0.80 -0.48 0.52 -2.27 0.00 0.00 179.45 178.00 3ubp h MET 384 N 0.56 0.91 0.03 1.90 2.86 -0.98 0.09 114.93 120.31 3ubp h MET 384 Ca 0.08 -0.53 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 3ubp h MET 384 Cb 0.67 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3ubp h MET 384 CO 0.05 1.18 -0.13 -0.22 1.06 0.00 0.00 176.91 178.85 3ubp h LYS 385 N 0.72 -0.22 -0.61 1.72 3.64 -1.00 0.47 116.57 121.28 3ubp h LYS 385 Ca 0.03 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3ubp h LYS 385 Cb 1.08 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 3ubp h LYS 385 CO 0.11 -0.15 0.35 0.87 -2.27 0.00 0.00 179.45 178.36 3ubp h LYS 386 N -0.23 0.65 0.03 1.90 1.57 -1.17 0.13 116.57 119.45 3ubp h LYS 386 Ca 0.04 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3ubp h LYS 386 Cb 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3ubp h LYS 386 CO -0.11 0.43 -1.50 1.96 -0.57 0.00 0.00 179.45 179.66 3ubp h GLN 387 N 0.67 0.06 -0.00 3.15 4.20 -0.77 -3.39 115.11 119.04 3ubp h GLN 387 Ca 0.26 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ubp h GLN 387 Cb 0.10 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3ubp h GLN 387 CO -0.14 0.79 -0.39 0.54 -0.67 0.00 0.00 178.83 178.96 3ubp n ARG 388 N -3.23 3.21 0.00 1.46 1.74 0.16 -5.07 116.66 114.93 3ubp n ARG 388 Ca -0.13 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3ubp n ARG 388 Cb 1.02 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3ubp n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ubp n GLY 389 N 1.13 -2.08 3.53 -0.13 0.00 0.46 -4.89 105.19 103.21 3ubp n GLY 389 Ca 0.03 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 3ubp n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ubp n PRO 390 N -2.29 0.93 -1.78 1.61 -0.01 -1.26 -4.53 135.00 127.67 3ubp n PRO 390 Ca 0.00 0.33 -0.33 0.00 -0.01 0.00 0.00 63.50 63.48 3ubp n PRO 390 Cb 0.00 -1.61 0.05 0.00 -0.01 0.00 0.00 33.50 31.92 3ubp n PRO 390 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3ubp s LEU 391 N 1.18 3.42 0.40 2.45 1.43 -1.26 -4.91 118.68 121.39 3ubp s LEU 391 Ca 0.61 2.05 0.09 0.00 -1.03 0.00 0.00 54.13 55.85 3ubp s LEU 391 Cb -0.73 -4.56 0.88 0.00 0.03 0.00 0.00 46.19 41.81 3ubp s LEU 391 CO 0.59 -1.65 2.01 0.00 0.23 0.00 0.00 176.35 177.53 3ubp h ALA 392 N 0.13 1.80 0.00 4.21 0.00 -1.97 -2.17 119.26 121.25 3ubp h ALA 392 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ubp h ALA 392 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ubp h ALA 392 CO 0.54 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.83 3ubp h GLU 393 N 0.57 0.00 -7.34 0.00 3.07 -2.02 -3.45 114.58 105.41 3ubp h GLU 393 Ca 0.24 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.59 3ubp h GLU 393 Cb 0.22 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.23 3ubp h GLU 393 CO -0.07 0.00 0.36 -1.21 -1.40 0.00 0.00 179.01 176.70 3ubp s GLU 394 N -3.49 2.81 -0.07 2.33 0.41 -0.82 -4.89 118.70 114.97 3ubp s GLU 394 Ca 0.02 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 55.55 3ubp s GLU 394 Cb 0.09 -1.97 0.02 0.00 -1.78 0.00 0.00 34.13 30.49 3ubp s GLU 394 CO 0.39 -1.20 -0.05 -1.59 -0.49 0.00 0.00 175.26 172.32 3ubp s LYS 395 N -5.03 1.06 -0.38 1.61 -2.85 -1.26 -4.98 119.74 107.91 3ubp s LYS 395 Ca 0.59 -0.13 -0.09 0.00 -1.00 0.00 0.00 55.97 55.33 3ubp s LYS 395 Cb -0.14 -1.12 0.01 0.00 -2.06 0.00 0.00 37.83 34.51 3ubp s LYS 395 CO 0.55 -0.16 0.35 0.27 0.10 0.00 0.00 175.35 176.46 3ubp n ASN 396 N 4.50 -8.01 0.00 0.03 0.23 -1.26 -3.55 115.26 107.20 3ubp n ASN 396 Ca -0.17 0.92 0.00 0.00 -0.53 0.00 0.00 54.58 54.80 3ubp n ASN 396 Cb 0.51 -5.38 0.00 0.00 -2.08 0.00 0.00 39.78 32.82 3ubp n ASN 396 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ubp n GLY 397 N 0.12 0.00 3.86 4.83 0.00 -1.26 -4.84 105.19 107.90 3ubp n GLY 397 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3ubp n GLY 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ubp s SER 398 N 0.00 6.71 -0.27 1.61 1.04 -1.23 -4.79 113.70 116.76 3ubp s SER 398 Ca 0.00 1.18 0.11 0.00 0.48 0.00 0.00 55.95 57.73 3ubp s SER 398 Cb 0.00 -2.33 0.57 0.00 0.10 0.00 0.00 66.02 64.36 3ubp s SER 398 CO 0.00 -0.21 1.55 0.47 0.98 0.00 0.00 173.24 176.04 3ubp n ASP 399 N -0.46 3.51 -0.25 7.02 8.00 0.60 -4.47 116.55 130.50 3ubp n ASP 399 Ca 0.03 -3.40 0.01 0.00 0.71 0.00 0.00 54.79 52.14 3ubp n ASP 399 Cb 0.53 -0.64 0.13 0.00 -0.02 0.00 0.00 41.12 41.12 3ubp n ASP 399 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ubp h ASN 400 N 1.58 0.54 -0.22 -2.24 4.21 -1.94 0.24 115.58 117.74 3ubp h ASN 400 Ca 0.19 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.72 3ubp h ASN 400 Cb 1.82 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.96 3ubp h ASN 400 CO 0.46 0.32 0.01 0.15 -1.29 0.00 0.00 177.43 177.08 3ubp h PHE 401 N 0.67 0.42 -0.97 1.19 3.04 -1.90 -0.82 116.94 118.57 3ubp h PHE 401 Ca 0.35 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.24 3ubp h PHE 401 Cb 0.31 -0.11 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 3ubp h PHE 401 CO -0.09 0.55 0.65 -0.09 -2.02 0.00 0.00 178.31 177.31 3ubp h ARG 402 N 0.16 1.28 -0.45 1.11 2.43 -1.88 -0.67 114.38 116.36 3ubp h ARG 402 Ca 0.06 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3ubp h ARG 402 Cb 0.38 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3ubp h ARG 402 CO 0.01 0.84 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.24 3ubp h LEU 403 N 1.32 0.71 -0.31 3.80 3.38 -0.21 0.89 115.31 124.89 3ubp h LEU 403 Ca 0.36 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 3ubp h LEU 403 Cb -0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3ubp h LEU 403 CO -0.08 0.78 -0.61 0.11 0.09 0.00 0.00 178.44 178.73 3ubp h LYS 404 N 0.70 0.78 -0.52 1.13 1.57 -0.69 0.13 116.57 119.68 3ubp h LYS 404 Ca 0.14 -0.53 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3ubp h LYS 404 Cb 0.44 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3ubp h LYS 404 CO 0.02 1.16 0.32 -0.09 -0.57 0.00 0.00 179.45 180.29 3ubp h ARG 405 N 0.58 0.63 0.16 3.15 2.43 -0.71 -2.34 114.38 118.29 3ubp h ARG 405 Ca -0.00 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 3ubp h ARG 405 Cb 1.21 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3ubp h ARG 405 CO 0.13 0.42 -1.38 1.88 -1.51 0.00 0.00 179.97 179.51 3ubp h TYR 406 N 0.65 0.63 -0.19 2.20 -1.99 -0.62 -3.24 116.97 114.41 3ubp h TYR 406 Ca 0.20 -0.46 -0.05 0.00 2.00 0.00 0.00 58.73 60.41 3ubp h TYR 406 Cb -0.02 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3ubp h TYR 406 CO -0.05 1.39 -0.13 -0.24 -0.00 0.00 0.00 178.16 179.13 3ubp h VAL 407 N 0.09 1.19 0.00 -2.88 3.04 -0.72 -1.01 116.25 115.96 3ubp h VAL 407 Ca -0.19 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.63 3ubp h VAL 407 Cb 2.04 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 32.52 3ubp h VAL 407 CO 0.22 0.27 -0.05 0.28 -1.01 0.00 0.00 177.57 177.27 3ubp h SER 408 N 0.28 0.00 0.35 3.17 0.02 -1.45 -2.84 113.55 113.08 3ubp h SER 408 Ca 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3ubp h SER 408 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3ubp h SER 408 CO 0.02 0.05 -0.29 0.11 -1.14 0.00 0.00 176.83 175.59 3ubp h LYS 409 N 0.00 0.00 -0.06 3.45 1.57 -1.22 -2.23 116.57 118.08 3ubp h LYS 409 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ubp h LYS 409 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ubp h LYS 409 CO 0.01 0.29 0.00 2.48 -0.57 0.00 0.00 179.45 181.66 3ubp n TYR 410 N -4.05 0.08 0.00 -1.35 0.18 -1.13 -0.98 117.16 109.91 3ubp n TYR 410 Ca -0.02 -0.16 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3ubp n TYR 410 Cb 0.35 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 3ubp n TYR 410 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3ubp n THR 411 N 0.22 0.00 0.02 -3.48 -2.24 -1.09 -0.49 114.28 107.22 3ubp n THR 411 Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 3ubp n THR 411 Cb 0.20 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3ubp n THR 411 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3ubp h ILE 412 N 0.00 1.33 -0.22 2.28 6.09 -1.28 -3.15 117.51 122.56 3ubp h ILE 412 Ca 0.00 -2.06 -0.02 0.00 -1.37 0.00 0.00 64.86 61.41 3ubp h ILE 412 Cb 0.00 2.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 3ubp h ILE 412 CO 0.00 0.63 0.05 0.78 -3.07 0.00 0.00 178.15 176.54 3ubp h ASN 413 N 0.40 0.34 -0.97 2.19 2.35 -1.70 0.19 115.58 118.37 3ubp h ASN 413 Ca -0.04 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3ubp h ASN 413 Cb 1.35 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.55 3ubp h ASN 413 CO 0.14 0.49 0.61 -0.65 -1.65 0.00 0.00 177.43 176.37 3ubp h PRO 414 N 0.17 1.03 -0.29 0.81 0.11 -1.78 0.75 132.00 132.80 3ubp h PRO 414 Ca 0.07 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3ubp h PRO 414 Cb 0.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3ubp h PRO 414 CO 0.00 0.68 0.08 0.00 -0.21 0.00 0.00 178.00 178.55 3ubp h ALA 415 N 1.47 0.38 -0.37 -0.75 0.00 -1.40 -0.65 119.26 117.94 3ubp h ALA 415 Ca 0.44 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3ubp h ALA 415 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ubp h ALA 415 CO -0.21 0.02 0.22 0.82 0.00 0.00 0.00 179.25 180.10 3ubp h ILE 416 N 0.30 1.05 -0.59 0.00 2.04 -0.64 -0.95 117.51 118.72 3ubp h ILE 416 Ca 0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3ubp h ILE 416 Cb 0.26 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3ubp h ILE 416 CO -0.00 0.08 0.25 0.00 0.00 0.00 0.00 178.15 178.48 3ubp h ALA 417 N 1.16 1.32 0.00 1.87 0.00 -0.53 -2.37 119.26 120.71 3ubp h ALA 417 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ubp h ALA 417 Cb -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ubp h ALA 417 CO -0.06 0.51 -0.26 0.37 0.00 0.00 0.00 179.25 179.81 3ubp h GLN 418 N 0.85 0.00 0.00 0.00 5.75 -0.77 -3.43 115.11 117.51 3ubp h GLN 418 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3ubp h GLN 418 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3ubp h GLN 418 CO -0.02 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.57 3ubp n GLY 419 N 1.27 0.95 0.01 2.39 0.00 -0.64 -4.56 105.19 104.62 3ubp n GLY 419 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3ubp n GLY 419 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ubp n ILE 420 N -2.80 0.64 1.28 -0.61 -5.35 -0.45 -1.46 119.36 110.61 3ubp n ILE 420 Ca 0.00 -0.65 0.12 0.00 -0.27 0.00 0.00 62.75 61.94 3ubp n ILE 420 Cb 0.26 0.66 0.64 0.00 -1.74 0.00 0.00 39.64 39.46 3ubp n ILE 420 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ubp n ALA 421 N -0.34 2.28 0.21 -1.28 0.00 -1.07 -1.17 120.51 119.15 3ubp n ALA 421 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.42 3ubp n ALA 421 Cb 0.37 -1.38 0.30 0.00 0.00 0.00 0.00 19.45 18.74 3ubp n ALA 421 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ubp h HIS 422 N 0.00 0.00 0.00 0.00 2.07 -1.90 -3.35 115.15 111.97 3ubp h HIS 422 Ca 0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 3ubp h HIS 422 Cb 0.10 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.02 3ubp h HIS 422 CO 0.00 0.16 -2.36 0.39 -3.07 0.00 0.00 177.93 173.05 3ubp n GLU 423 N -3.19 0.56 -3.78 5.12 -0.58 -0.31 -4.67 120.64 113.78 3ubp n GLU 423 Ca 0.02 0.18 -0.17 0.00 -0.42 0.00 0.00 57.16 56.77 3ubp n GLU 423 Cb 0.51 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.89 3ubp n GLU 423 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3ubp n VAL 424 N -3.59 0.00 0.00 2.62 0.24 -0.63 -0.49 118.33 116.48 3ubp n VAL 424 Ca -0.45 -1.86 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 3ubp n VAL 424 Cb 0.90 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 3ubp n VAL 424 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ubp n GLY 425 N -0.30 2.73 3.47 7.63 0.00 -1.26 -4.28 105.19 113.18 3ubp n GLY 425 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3ubp n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ubp s SER 426 N -1.55 -0.39 -1.03 1.61 1.04 -1.26 -1.57 113.70 110.55 3ubp s SER 426 Ca 0.00 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 3ubp s SER 426 Cb 0.00 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.85 3ubp s SER 426 CO 0.00 -1.01 1.24 -0.63 0.98 0.00 0.00 173.24 173.83 3ubp s ILE 427 N -3.81 4.84 0.09 -1.02 1.01 -1.26 -4.87 121.20 116.17 3ubp s ILE 427 Ca 0.05 -1.97 0.04 0.00 0.00 0.00 0.00 60.65 58.77 3ubp s ILE 427 Cb -0.01 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 37.60 3ubp s ILE 427 CO -0.08 -1.55 -0.11 -1.61 0.00 0.00 0.00 174.94 171.59 3ubp s GLU 428 N 2.29 0.83 0.34 2.79 2.02 -1.26 -4.98 118.70 120.72 3ubp s GLU 428 Ca 0.36 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 3ubp s GLU 428 Cb -0.04 -0.58 -0.11 0.00 0.10 0.00 0.00 34.13 33.50 3ubp s GLU 428 CO -0.06 0.10 1.43 -1.21 0.02 0.00 0.00 175.26 175.54 3ubp s GLU 429 N -2.51 4.21 0.00 1.61 2.02 -1.26 -2.47 118.70 120.30 3ubp s GLU 429 Ca 0.03 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.44 3ubp s GLU 429 Cb -0.05 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3ubp s GLU 429 CO 0.01 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3ubp n GLY 430 N 0.96 0.26 3.69 -1.39 0.00 0.99 -5.00 105.19 104.71 3ubp n GLY 430 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3ubp n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ubp s LYS 431 N -0.93 2.51 0.33 1.61 1.02 -1.03 -4.86 119.74 118.38 3ubp s LYS 431 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 3ubp s LYS 431 Cb 0.00 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.78 3ubp s LYS 431 CO 0.00 0.46 1.46 0.34 -0.92 0.00 0.00 175.35 176.69 3ubp n PHE 432 N -0.19 2.68 -1.97 3.18 7.35 0.36 -0.40 117.46 128.46 3ubp n PHE 432 Ca -0.09 0.41 -0.42 0.00 -0.76 0.00 0.00 57.45 56.59 3ubp n PHE 432 Cb 0.55 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.87 3ubp n PHE 432 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ubp n ALA 433 N 1.10 5.08 -2.99 3.13 0.00 -0.00 -4.66 120.51 122.17 3ubp n ALA 433 Ca 0.06 -3.91 -0.45 0.00 0.00 0.00 0.00 53.44 49.14 3ubp n ALA 433 Cb 0.37 -3.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.24 3ubp n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ubp s ASP 434 N 3.27 6.17 -0.01 0.00 1.01 -1.26 -2.04 116.67 123.81 3ubp s ASP 434 Ca 0.48 -1.41 0.04 0.00 0.71 0.00 0.00 52.55 52.37 3ubp s ASP 434 Cb 0.11 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3ubp s ASP 434 CO -0.05 -0.77 -0.12 -0.76 0.21 0.00 0.00 175.17 173.69 3ubp s LEU 435 N 1.82 2.03 -0.18 1.23 1.43 -0.29 -2.28 118.68 122.44 3ubp s LEU 435 Ca 0.06 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3ubp s LEU 435 Cb -0.25 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.39 3ubp s LEU 435 CO 0.06 0.14 -0.15 -0.69 0.23 0.00 0.00 176.35 175.93 3ubp s VAL 436 N -0.29 2.52 0.06 -1.59 1.01 0.01 -0.48 120.40 121.63 3ubp s VAL 436 Ca 0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 3ubp s VAL 436 Cb -0.05 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3ubp s VAL 436 CO -0.00 0.51 0.51 -0.76 0.00 0.00 0.00 175.10 175.36 3ubp s LEU 437 N 1.14 4.49 -0.03 3.92 1.02 -0.26 -1.70 118.68 127.25 3ubp s LEU 437 Ca 0.01 1.13 0.03 0.00 0.02 0.00 0.00 54.13 55.32 3ubp s LEU 437 Cb -0.14 -2.84 0.00 0.00 0.02 0.00 0.00 46.19 43.23 3ubp s LEU 437 CO -0.06 0.27 -0.11 0.26 0.02 0.00 0.00 176.35 176.73 3ubp s TRP 438 N -1.15 1.15 0.20 0.29 0.52 0.30 -0.98 118.94 119.28 3ubp s TRP 438 Ca 0.28 -0.31 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 3ubp s TRP 438 Cb -0.18 -0.81 -0.09 0.00 -1.15 0.00 0.00 33.47 31.25 3ubp s TRP 438 CO 0.17 -0.12 1.25 -1.21 0.02 0.00 0.00 176.95 177.06 3ubp s GLU 439 N 0.18 4.44 0.31 4.98 2.02 -1.26 -0.73 118.70 128.64 3ubp s GLU 439 Ca -0.04 1.97 0.08 0.00 0.02 0.00 0.00 54.97 57.00 3ubp s GLU 439 Cb -0.10 -3.21 0.81 0.00 0.10 0.00 0.00 34.13 31.73 3ubp s GLU 439 CO 0.01 -0.16 1.75 -1.35 0.02 0.00 0.00 175.26 175.54 3ubp h PRO 440 N 5.16 0.66 0.00 0.39 0.11 -1.91 0.23 132.00 136.64 3ubp h PRO 440 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3ubp h PRO 440 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ubp h PRO 440 CO 0.75 0.44 -0.07 1.57 -0.21 0.00 0.00 178.00 180.48 3ubp h LYS 441 N 0.68 0.00 -0.31 1.05 2.10 -1.87 -0.43 116.57 117.79 3ubp h LYS 441 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 3ubp h LYS 441 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3ubp h LYS 441 CO -0.43 0.07 0.00 1.19 -2.00 0.00 0.00 179.45 178.28 3ubp n PHE 442 N -4.03 0.75 -1.68 0.07 3.72 0.70 -4.55 117.46 112.44 3ubp n PHE 442 Ca -0.03 -0.70 -0.45 0.00 -0.05 0.00 0.00 57.45 56.22 3ubp n PHE 442 Cb 0.16 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 3ubp n PHE 442 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ubp n PHE 443 N -0.01 2.42 -0.65 1.38 7.35 -0.49 -1.05 117.46 126.42 3ubp n PHE 443 Ca 0.17 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3ubp n PHE 443 Cb 0.69 -2.66 0.00 0.00 0.35 0.00 0.00 39.48 37.86 3ubp n PHE 443 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ubp n GLY 444 N 4.05 1.70 0.43 7.13 0.00 -1.26 -4.38 105.19 112.86 3ubp n GLY 444 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 3ubp n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ubp n VAL 445 N -2.00 1.00 -3.73 1.61 0.31 -0.21 -3.01 118.33 112.30 3ubp n VAL 445 Ca 0.00 0.26 -0.26 0.00 -0.01 0.00 0.00 64.34 64.33 3ubp n VAL 445 Cb 0.00 -1.85 -0.17 0.00 -0.91 0.00 0.00 33.84 30.91 3ubp n VAL 445 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ubp s LYS 446 N -2.12 0.56 0.35 5.55 1.02 -1.00 -4.59 119.74 119.51 3ubp s LYS 446 Ca -0.13 -0.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 3ubp s LYS 446 Cb 0.02 -1.66 -0.11 0.00 -0.52 0.00 0.00 37.83 35.57 3ubp s LYS 446 CO 0.19 -0.52 1.38 0.00 -0.92 0.00 0.00 175.35 175.48 3ubp s ALA 447 N 1.94 3.53 -0.01 5.17 0.00 -0.68 -4.76 121.76 126.94 3ubp s ALA 447 Ca 0.02 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 3ubp s ALA 447 Cb -0.15 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3ubp s ALA 447 CO -0.07 -0.81 0.33 0.22 0.00 0.00 0.00 175.76 175.43 3ubp h ASP 448 N 3.24 -0.09 -3.57 0.00 3.58 -1.41 -3.37 116.42 114.80 3ubp h ASP 448 Ca -0.50 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.58 3ubp h ASP 448 Cb 1.23 0.02 -0.33 0.00 1.72 0.00 0.00 39.33 41.98 3ubp h ASP 448 CO 0.65 0.03 -0.76 -0.13 -2.88 0.00 0.00 179.24 176.15 3ubp s ARG 449 N -1.90 0.59 -0.31 0.28 0.52 -1.16 -1.50 118.95 115.46 3ubp s ARG 449 Ca -0.02 -0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.03 3ubp s ARG 449 Cb 0.00 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.83 3ubp s ARG 449 CO 0.05 -0.05 0.14 0.08 0.02 0.00 0.00 175.30 175.53 3ubp s VAL 450 N 0.70 4.42 -0.19 3.52 1.01 0.13 -1.10 120.40 128.90 3ubp s VAL 450 Ca -0.08 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 3ubp s VAL 450 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3ubp s VAL 450 CO -0.00 0.04 0.40 -0.63 0.00 0.00 0.00 175.10 174.90 3ubp s ILE 451 N 1.58 5.21 -0.19 2.22 1.01 0.37 0.40 121.20 131.80 3ubp s ILE 451 Ca 0.04 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.42 3ubp s ILE 451 Cb -0.17 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.60 3ubp s ILE 451 CO 0.05 0.28 -0.14 -0.54 0.00 0.00 0.00 174.94 174.59 3ubp s LYS 452 N 1.13 2.41 -1.51 2.79 -0.14 0.80 -1.14 119.74 124.08 3ubp s LYS 452 Ca 0.20 -0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 53.85 3ubp s LYS 452 Cb -0.15 -2.44 0.08 0.00 -1.68 0.00 0.00 37.83 33.65 3ubp s LYS 452 CO 0.08 -0.33 0.92 0.41 -0.76 0.00 0.00 175.35 175.66 3ubp n GLY 453 N 4.66 -0.50 2.34 -3.33 0.00 -0.90 -1.36 105.19 106.10 3ubp n GLY 453 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ubp n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ubp n GLY 454 N -1.63 0.87 3.11 -0.02 0.00 -0.87 -4.32 105.19 102.33 3ubp n GLY 454 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3ubp n GLY 454 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ubp s ILE 455 N -3.45 1.17 0.15 -0.61 -1.09 -0.46 -4.99 121.20 111.92 3ubp s ILE 455 Ca 0.00 -0.61 -0.31 0.00 -2.23 0.00 0.00 60.65 57.49 3ubp s ILE 455 Cb 0.00 -0.99 -0.10 0.00 -1.58 0.00 0.00 42.46 39.79 3ubp s ILE 455 CO 0.00 0.34 1.64 -0.63 -1.23 0.00 0.00 174.94 175.06 3ubp s ILE 456 N -0.20 2.58 -0.15 2.92 1.01 -1.26 -0.14 121.20 125.95 3ubp s ILE 456 Ca 0.03 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.09 3ubp s ILE 456 Cb -0.07 -3.21 -0.15 0.00 0.01 0.00 0.00 42.46 39.04 3ubp s ILE 456 CO 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 174.94 174.94 3ubp n ALA 457 N 4.45 1.65 -3.29 9.38 0.00 0.16 -2.24 120.51 130.63 3ubp n ALA 457 Ca 0.15 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 3ubp n ALA 457 Cb 0.38 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3ubp n ALA 457 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ubp s TYR 458 N -2.33 -0.19 -0.09 0.00 5.04 -1.06 -0.21 117.35 118.51 3ubp s TYR 458 Ca -0.12 0.48 -0.12 0.00 -2.44 0.00 0.00 57.07 54.87 3ubp s TYR 458 Cb 0.05 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.41 3ubp s TYR 458 CO 0.50 -0.12 0.30 0.00 -1.34 0.00 0.00 175.55 174.89 3ubp s ALA 459 N 0.48 -0.75 -0.53 3.97 0.00 -0.37 0.20 121.76 124.76 3ubp s ALA 459 Ca -0.03 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 3ubp s ALA 459 Cb -0.05 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3ubp s ALA 459 CO -0.02 -0.18 1.32 -0.65 0.00 0.00 0.00 175.76 176.23 3ubp s GLN 460 N -0.26 3.47 0.07 0.00 -1.52 -0.57 -0.62 119.66 120.23 3ubp s GLN 460 Ca -0.04 0.50 -0.13 0.00 -1.95 0.00 0.00 55.36 53.74 3ubp s GLN 460 Cb -0.03 -4.05 0.02 0.00 -0.22 0.00 0.00 33.01 28.73 3ubp s GLN 460 CO 0.01 -1.73 0.31 -1.50 -0.25 0.00 0.00 175.29 172.14 3ubp s ILE 461 N 5.43 0.09 0.00 1.08 2.07 -0.41 -4.82 121.20 124.64 3ubp s ILE 461 Ca 0.51 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 3ubp s ILE 461 Cb -0.10 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.41 3ubp s ILE 461 CO 0.28 -0.42 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 3ubp n GLY 462 N 0.24 1.70 3.61 1.50 0.00 0.20 -1.99 105.19 110.45 3ubp n GLY 462 Ca -0.17 -2.00 -0.59 0.00 0.00 0.00 0.00 46.02 43.25 3ubp n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ubp n ASP 463 N 0.00 1.82 0.12 1.61 2.03 -0.51 -4.84 116.55 116.79 3ubp n ASP 463 Ca 0.00 0.94 0.11 0.00 0.52 0.00 0.00 54.79 56.36 3ubp n ASP 463 Cb 0.00 -1.06 0.48 0.00 -0.72 0.00 0.00 41.12 39.82 3ubp n ASP 463 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ubp n PRO 464 N 5.83 0.16 0.00 -0.67 -0.04 -1.26 -2.54 135.00 136.48 3ubp n PRO 464 Ca 0.34 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 3ubp n PRO 464 Cb 0.07 -1.84 0.12 0.00 -0.04 0.00 0.00 33.50 31.81 3ubp n PRO 464 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ubp n SER 465 N -2.14 2.51 -4.90 3.54 3.41 -1.26 -4.98 113.62 109.80 3ubp n SER 465 Ca 0.01 -1.77 -0.29 0.00 -0.26 0.00 0.00 58.87 56.56 3ubp n SER 465 Cb 0.17 0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.31 3ubp n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ubp s ALA 466 N -2.16 3.02 0.42 7.33 0.00 -1.05 -4.97 121.76 124.35 3ubp s ALA 466 Ca 0.26 -0.47 0.26 0.00 0.00 0.00 0.00 51.96 52.01 3ubp s ALA 466 Cb 0.20 -2.89 1.42 0.00 0.00 0.00 0.00 23.12 21.85 3ubp s ALA 466 CO 0.39 -1.05 2.07 0.66 0.00 0.00 0.00 175.76 177.83 3ubp h SER 467 N -0.52 0.00 -5.28 0.00 4.64 -1.94 -3.44 113.55 107.02 3ubp h SER 467 Ca -0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 3ubp h SER 467 Cb 1.26 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 3ubp h SER 467 CO 0.63 0.12 -0.39 0.27 -0.87 0.00 0.00 176.83 176.59 3ubp s ILE 468 N -4.23 0.08 -2.03 0.95 -4.36 -1.26 -5.08 121.20 105.28 3ubp s ILE 468 Ca -0.03 -1.46 0.29 0.00 -0.26 0.00 0.00 60.65 59.19 3ubp s ILE 468 Cb 0.13 -1.81 0.55 0.00 1.25 0.00 0.00 42.46 42.58 3ubp s ILE 468 CO 0.59 -0.38 1.85 -0.81 0.24 0.00 0.00 174.94 176.44 3ubp n PRO 469 N -0.17 1.11 0.09 0.37 -0.05 -1.26 -4.23 135.00 130.85 3ubp n PRO 469 Ca -0.08 -0.48 0.05 0.00 -0.05 0.00 0.00 63.50 62.94 3ubp n PRO 469 Cb 0.63 -1.49 -0.02 0.00 -0.05 0.00 0.00 33.50 32.57 3ubp n PRO 469 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 3ubp h THR 470 N 1.16 0.37 -4.16 0.52 1.35 -1.90 0.57 112.91 110.82 3ubp h THR 470 Ca 0.00 -1.66 -0.54 0.00 -0.55 0.00 0.00 66.41 63.66 3ubp h THR 470 Cb 0.36 1.93 0.16 0.00 -1.73 0.00 0.00 68.15 68.87 3ubp h THR 470 CO 0.00 0.21 0.42 -2.84 -0.25 0.00 0.00 175.52 173.06 3ubp s PRO 471 N -3.08 2.20 0.60 4.72 0.02 -1.26 -4.67 135.00 133.52 3ubp s PRO 471 Ca -0.00 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 3ubp s PRO 471 Cb 0.08 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.74 3ubp s PRO 471 CO 0.78 -1.81 1.13 -0.65 -0.33 0.00 0.00 177.00 176.12 3ubp s GLN 472 N -3.77 3.09 -0.15 5.54 -1.52 -1.26 -1.42 119.66 120.16 3ubp s GLN 472 Ca 0.77 1.54 -0.19 0.00 -1.95 0.00 0.00 55.36 55.53 3ubp s GLN 472 Cb -0.31 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.46 3ubp s GLN 472 CO 0.44 -1.05 0.51 -1.25 -0.25 0.00 0.00 175.29 173.69 3ubp s PRO 473 N -3.63 4.28 -0.22 2.91 0.04 -1.26 -4.03 135.00 133.09 3ubp s PRO 473 Ca 0.71 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 3ubp s PRO 473 Cb -0.23 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.82 3ubp s PRO 473 CO 0.33 0.01 0.95 0.08 0.04 0.00 0.00 177.00 178.42 3ubp s VAL 474 N 1.10 4.76 0.15 -0.36 1.01 -1.26 -3.92 120.40 121.86 3ubp s VAL 474 Ca 0.26 1.85 -0.08 0.00 0.00 0.00 0.00 61.98 64.01 3ubp s VAL 474 Cb -0.15 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3ubp s VAL 474 CO 0.10 -0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.33 3ubp s MET 475 N 2.89 1.07 0.07 2.72 0.23 -0.84 -4.82 119.30 120.61 3ubp s MET 475 Ca 0.41 -1.17 -0.31 0.00 -1.03 0.00 0.00 55.69 53.59 3ubp s MET 475 Cb -0.16 0.35 -0.06 0.00 -1.53 0.00 0.00 34.83 33.44 3ubp s MET 475 CO 0.08 -0.37 1.19 0.20 -2.03 0.00 0.00 175.02 174.09 3ubp s GLY 476 N -2.96 2.46 0.00 3.16 0.00 -1.26 -1.28 107.32 107.44 3ubp s GLY 476 Ca 0.16 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.73 3ubp s GLY 476 CO -0.02 2.00 -0.01 0.50 0.00 0.00 0.00 173.10 175.57 3ubp s ARG 477 N 0.91 0.11 0.35 2.90 0.52 0.21 -4.96 118.95 118.99 3ubp s ARG 477 Ca 0.58 -0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 55.39 3ubp s ARG 477 Cb -0.29 -0.05 -0.11 0.00 0.52 0.00 0.00 34.95 35.02 3ubp s ARG 477 CO 0.30 0.01 1.38 1.03 0.02 0.00 0.00 175.30 178.05 3ubp s ARG 478 N -0.21 4.25 0.04 3.54 0.52 -1.26 -1.24 118.95 124.58 3ubp s ARG 478 Ca -0.02 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 3ubp s ARG 478 Cb -0.02 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3ubp s ARG 478 CO -0.00 -0.34 0.03 -1.33 0.02 0.00 0.00 175.30 173.69 3ubp n MET 479 N 0.69 1.33 0.27 3.54 2.81 0.71 -4.89 117.12 121.58 3ubp n MET 479 Ca 0.01 -0.22 0.15 0.00 -1.81 0.00 0.00 57.70 55.83 3ubp n MET 479 Cb 0.41 0.01 0.74 0.00 -0.71 0.00 0.00 33.22 33.67 3ubp n MET 479 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 3ubp h TYR 480 N 0.38 0.00 0.00 2.03 0.05 -1.85 -2.12 116.97 115.46 3ubp h TYR 480 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ubp h TYR 480 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3ubp h TYR 480 CO 0.00 0.09 -0.00 0.78 -1.05 0.00 0.00 178.16 177.98 3ubp h GLY 481 N 1.30 0.00 0.28 3.88 0.00 -1.75 -2.08 103.07 104.71 3ubp h GLY 481 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ubp h GLY 481 CO 0.01 0.00 -0.37 -1.30 0.00 0.00 0.00 176.54 174.88 3ubp n THR 482 N -3.41 0.00 -3.72 4.70 -2.24 -0.80 -2.47 114.28 106.34 3ubp n THR 482 Ca -0.03 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3ubp n THR 482 Cb 0.08 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3ubp n THR 482 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ubp s VAL 483 N -2.64 5.28 0.00 2.28 1.01 -0.78 -4.57 120.40 120.98 3ubp s VAL 483 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3ubp s VAL 483 Cb 0.19 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3ubp s VAL 483 CO 0.58 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.76 3ubp n GLY 484 N 1.47 2.71 0.07 4.51 0.00 -1.26 -2.31 105.19 110.37 3ubp n GLY 484 Ca -0.14 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.67 3ubp n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ubp n ASP 485 N 0.47 0.28 0.21 1.61 8.00 -1.26 -3.64 116.55 122.23 3ubp n ASP 485 Ca 0.00 -0.44 0.05 0.00 0.71 0.00 0.00 54.79 55.11 3ubp n ASP 485 Cb 0.00 -0.14 0.46 0.00 -0.02 0.00 0.00 41.12 41.42 3ubp n ASP 485 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ubp h LEU 486 N 0.34 0.00 -1.72 0.64 5.85 -1.74 -1.55 115.31 117.13 3ubp h LEU 486 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 3ubp h LEU 486 Cb 0.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3ubp h LEU 486 CO 0.00 0.27 0.51 -0.29 -0.34 0.00 0.00 178.44 178.58 3ubp h ILE 487 N 0.00 0.73 -0.32 4.05 2.10 -1.55 -1.81 117.51 120.72 3ubp h ILE 487 Ca -0.00 -0.09 -0.13 0.00 1.08 0.00 0.00 64.86 65.72 3ubp h ILE 487 Cb 0.49 0.44 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 3ubp h ILE 487 CO 0.03 0.05 -0.29 0.45 -1.08 0.00 0.00 178.15 177.31 3ubp h HIS 488 N 0.27 0.91 0.00 2.19 3.86 -1.54 -3.25 115.15 117.58 3ubp h HIS 488 Ca 0.37 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3ubp h HIS 488 Cb 1.04 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3ubp h HIS 488 CO -0.00 1.03 -0.17 -0.44 0.86 0.00 0.00 177.93 179.21 3ubp h ASP 489 N 0.53 0.00 -0.05 2.45 3.32 -1.39 -2.68 116.42 118.59 3ubp h ASP 489 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ubp h ASP 489 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3ubp h ASP 489 CO 0.07 0.01 0.00 0.35 -1.72 0.00 0.00 179.24 177.96 3ubp n THR 490 N -2.60 0.04 -4.16 0.35 -2.24 -0.80 -4.85 114.28 100.02 3ubp n THR 490 Ca 0.04 -0.52 -0.17 0.00 -2.27 0.00 0.00 64.05 61.13 3ubp n THR 490 Cb 0.48 1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 70.01 3ubp n THR 490 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ubp s ASN 491 N -1.78 1.50 -0.11 3.42 0.01 -1.23 -3.44 114.94 113.31 3ubp s ASN 491 Ca 0.26 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3ubp s ASN 491 Cb 0.18 -0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.79 3ubp s ASN 491 CO 0.27 -0.10 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.02 3ubp s ILE 492 N -1.26 3.20 -0.44 0.60 1.01 -1.26 -2.47 121.20 120.59 3ubp s ILE 492 Ca -0.03 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3ubp s ILE 492 Cb -0.10 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.07 3ubp s ILE 492 CO 0.02 0.54 0.45 -0.89 0.00 0.00 0.00 174.94 175.06 3ubp s THR 493 N 0.02 5.08 -0.08 2.92 2.01 0.01 -1.20 115.64 124.40 3ubp s THR 493 Ca -0.03 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 3ubp s THR 493 Cb -0.14 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 3ubp s THR 493 CO 0.04 -0.48 0.95 -0.36 -0.69 0.00 0.00 174.62 174.08 3ubp s PHE 494 N 2.14 3.55 0.15 4.92 0.08 -0.09 -1.02 117.98 127.72 3ubp s PHE 494 Ca 0.12 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.74 3ubp s PHE 494 Cb -0.18 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 3ubp s PHE 494 CO 0.13 -0.13 -0.04 -1.64 -0.10 0.00 0.00 175.22 173.44 3ubp s MET 495 N 1.61 1.03 0.84 0.44 -1.94 0.01 -4.39 119.30 116.91 3ubp s MET 495 Ca 0.47 -1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 52.87 3ubp s MET 495 Cb -0.19 -0.34 0.10 0.00 2.01 0.00 0.00 34.83 36.41 3ubp s MET 495 CO 0.20 -0.05 1.14 -1.54 -0.01 0.00 0.00 175.02 174.76 3ubp s SER 496 N -3.14 3.65 0.20 3.03 1.04 -1.09 -1.26 113.70 116.13 3ubp s SER 496 Ca 0.19 2.10 -0.10 0.00 0.48 0.00 0.00 55.95 58.62 3ubp s SER 496 Cb 0.05 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.74 3ubp s SER 496 CO 0.01 -2.62 1.78 0.11 0.98 0.00 0.00 173.24 173.51 3ubp h LYS 497 N -1.37 1.02 -0.40 4.02 1.57 -1.80 -2.44 116.57 117.18 3ubp h LYS 497 Ca -0.44 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.09 3ubp h LYS 497 Cb 1.26 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3ubp h LYS 497 CO 0.46 0.80 -0.17 0.66 -0.57 0.00 0.00 179.45 180.63 3ubp h SER 498 N 0.99 0.75 -0.47 0.86 4.64 -1.88 0.98 113.55 119.42 3ubp h SER 498 Ca 0.24 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3ubp h SER 498 Cb 0.12 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3ubp h SER 498 CO -0.03 0.92 -0.04 0.77 -0.87 0.00 0.00 176.83 177.58 3ubp h SER 499 N 0.67 0.90 -0.20 4.97 4.64 -1.64 0.19 113.55 123.07 3ubp h SER 499 Ca 0.10 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3ubp h SER 499 Cb 0.66 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ubp h SER 499 CO 0.05 0.98 -0.05 0.40 -0.87 0.00 0.00 176.83 177.34 3ubp h ILE 500 N 0.84 1.29 0.00 0.95 2.04 -1.23 -1.39 117.51 120.01 3ubp h ILE 500 Ca 0.15 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3ubp h ILE 500 Cb 0.56 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3ubp h ILE 500 CO 0.03 0.32 -0.18 -0.61 0.00 0.00 0.00 178.15 177.71 3ubp h GLN 501 N 0.11 0.00 -0.26 2.37 4.15 -0.41 -1.90 115.11 119.16 3ubp h GLN 501 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3ubp h GLN 501 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3ubp h GLN 501 CO 0.02 0.18 0.00 1.04 -1.93 0.00 0.00 178.83 178.14 3ubp n GLN 502 N -4.07 1.70 -2.36 1.69 6.02 0.63 -4.91 117.38 116.07 3ubp n GLN 502 Ca -0.02 -1.08 -0.11 0.00 -0.01 0.00 0.00 57.00 55.78 3ubp n GLN 502 Cb 0.25 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3ubp n GLN 502 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ubp n GLY 503 N 1.03 -0.00 0.24 1.08 0.00 -0.72 -4.95 105.19 101.87 3ubp n GLY 503 Ca 0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 3ubp n GLY 503 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ubp h VAL 504 N -0.27 1.00 -0.43 1.61 2.07 -1.48 -0.26 116.25 118.49 3ubp h VAL 504 Ca -0.25 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.12 3ubp h VAL 504 Cb 1.18 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3ubp h VAL 504 CO 0.29 0.12 0.05 -0.65 0.02 0.00 0.00 177.57 177.39 3ubp h PRO 505 N 0.65 0.16 -0.40 1.57 0.11 -1.90 0.13 132.00 132.32 3ubp h PRO 505 Ca 0.26 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 3ubp h PRO 505 Cb 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3ubp h PRO 505 CO -0.15 0.11 -0.01 0.00 -0.21 0.00 0.00 178.00 177.74 3ubp h ALA 506 N 1.36 0.54 -0.66 -0.75 0.00 -1.78 0.17 119.26 118.14 3ubp h ALA 506 Ca 0.21 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ubp h ALA 506 Cb 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3ubp h ALA 506 CO -0.32 0.33 0.32 -0.22 0.00 0.00 0.00 179.25 179.36 3ubp h LYS 507 N 0.54 0.54 -0.01 0.00 3.64 -0.30 -2.27 116.57 118.71 3ubp h LYS 507 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ubp h LYS 507 Cb 0.49 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3ubp h LYS 507 CO 0.02 0.36 -0.22 1.28 -2.27 0.00 0.00 179.45 178.62 3ubp n LEU 508 N -4.88 1.17 -0.57 5.20 4.77 0.39 -4.95 117.00 118.13 3ubp n LEU 508 Ca 0.09 -0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 55.69 3ubp n LEU 508 Cb 0.24 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ubp n LEU 508 CO 0.25 0.21 -0.06 0.61 -1.33 0.00 0.00 177.39 177.07 3ubp n GLY 509 N 1.31 0.21 3.71 -0.72 0.00 0.12 -4.95 105.19 104.87 3ubp n GLY 509 Ca 0.13 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3ubp n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ubp s LEU 510 N -1.45 4.36 -0.01 0.99 1.43 0.38 -4.91 118.68 119.47 3ubp s LEU 510 Ca 0.00 2.20 0.18 0.00 -1.03 0.00 0.00 54.13 55.48 3ubp s LEU 510 Cb 0.00 -3.58 -0.22 0.00 0.03 0.00 0.00 46.19 42.42 3ubp s LEU 510 CO 0.00 -0.63 0.65 0.29 0.23 0.00 0.00 176.35 176.89 3ubp n LYS 511 N 4.31 0.93 -1.48 1.70 4.76 -1.26 -4.76 118.16 122.35 3ubp n LYS 511 Ca 0.11 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.16 3ubp n LYS 511 Cb 0.44 -1.37 0.08 0.00 -1.84 0.00 0.00 35.03 32.34 3ubp n LYS 511 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ubp s ARG 512 N -2.87 2.25 0.28 1.97 0.52 -1.26 -4.69 118.95 115.15 3ubp s ARG 512 Ca 0.03 1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 56.60 3ubp s ARG 512 Cb 0.13 -1.86 -0.13 0.00 0.52 0.00 0.00 34.95 33.61 3ubp s ARG 512 CO 0.74 -1.73 1.40 0.54 0.02 0.00 0.00 175.30 176.28 3ubp n ARG 513 N -2.71 2.17 -3.73 3.54 1.74 -1.01 -4.82 116.66 111.84 3ubp n ARG 513 Ca 0.13 0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 57.61 3ubp n ARG 513 Cb 0.51 -2.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.42 3ubp n ARG 513 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ubp s ILE 514 N -0.36 5.02 0.02 0.55 -1.09 -1.26 -0.81 121.20 123.26 3ubp s ILE 514 Ca 0.64 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 3ubp s ILE 514 Cb -0.60 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3ubp s ILE 514 CO 0.53 0.34 0.07 -0.83 -1.23 0.00 0.00 174.94 173.83 3ubp s GLY 515 N 1.21 2.00 -0.24 6.18 0.00 -0.18 -4.94 107.32 111.34 3ubp s GLY 515 Ca 0.06 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.72 3ubp s GLY 515 CO 0.05 -0.81 0.37 -1.59 0.00 0.00 0.00 173.10 171.11 3ubp s THR 516 N -1.23 5.20 -0.04 0.90 2.01 -1.26 -0.81 115.64 120.42 3ubp s THR 516 Ca 0.24 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 3ubp s THR 516 Cb -0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3ubp s THR 516 CO 0.15 0.21 1.19 -0.69 -0.69 0.00 0.00 174.62 174.80 3ubp s VAL 517 N 1.66 4.25 0.21 3.82 1.01 -0.39 -4.76 120.40 126.20 3ubp s VAL 517 Ca 0.16 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 3ubp s VAL 517 Cb -0.15 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3ubp s VAL 517 CO 0.08 0.02 0.55 -1.59 0.00 0.00 0.00 175.10 174.16 3ubp s LYS 518 N 2.04 1.46 -1.17 2.72 -2.85 -0.53 -4.31 119.74 117.11 3ubp s LYS 518 Ca 0.56 -0.92 -0.05 0.00 -1.00 0.00 0.00 55.97 54.56 3ubp s LYS 518 Cb -0.25 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 3ubp s LYS 518 CO 0.23 -0.63 0.87 0.09 0.10 0.00 0.00 175.35 176.01 3ubp n ASN 519 N -0.37 -3.77 0.00 0.03 5.03 -1.26 -4.36 115.26 110.56 3ubp n ASN 519 Ca -0.08 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.62 3ubp n ASN 519 Cb 0.62 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 34.72 3ubp n ASN 519 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ubp n ARG 521 N -0.22 0.51 -0.96 0.00 5.12 -1.26 -4.40 116.66 115.45 3ubp n ARG 521 Ca 0.00 -0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.77 3ubp n ARG 521 Cb 0.18 -1.46 0.18 0.00 -1.16 0.00 0.00 32.46 30.20 3ubp n ARG 521 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3ubp n ASN 522 N -1.77 2.93 -4.69 0.55 6.94 -1.26 -4.69 115.26 113.27 3ubp n ASN 522 Ca 0.01 -3.80 -0.24 0.00 -0.02 0.00 0.00 54.58 50.52 3ubp n ASN 522 Cb 0.40 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.12 3ubp n ASN 522 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ubp s ILE 523 N -3.47 2.55 0.04 1.53 -4.36 -1.26 -5.11 121.20 111.12 3ubp s ILE 523 Ca 0.46 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 3ubp s ILE 523 Cb 0.41 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 41.21 3ubp s ILE 523 CO -0.00 -0.11 0.07 0.61 0.24 0.00 0.00 174.94 175.74 3ubp n GLY 524 N -1.10 2.70 0.38 6.27 0.00 -1.26 -4.83 105.19 107.35 3ubp n GLY 524 Ca -0.03 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.83 3ubp n GLY 524 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ubp h LYS 525 N 0.00 0.51 0.00 1.61 1.63 -1.07 -0.94 116.57 118.30 3ubp h LYS 525 Ca -0.04 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3ubp h LYS 525 Cb 0.15 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3ubp h LYS 525 CO 0.05 0.34 -0.00 1.57 -3.45 0.00 0.00 179.45 177.95 3ubp h LYS 526 N 0.52 0.00 -0.03 1.90 2.10 -1.80 -1.60 116.57 117.67 3ubp h LYS 526 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3ubp h LYS 526 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3ubp h LYS 526 CO -0.16 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.04 3ubp n ASP 527 N -3.13 0.97 -4.55 7.07 8.00 -0.36 -4.80 116.55 119.75 3ubp n ASP 527 Ca -0.02 -1.37 -0.43 0.00 0.71 0.00 0.00 54.79 53.68 3ubp n ASP 527 Cb 0.12 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 3ubp n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ubp s MET 528 N -1.98 3.47 0.00 -1.24 -1.94 -0.60 -4.99 119.30 112.02 3ubp s MET 528 Ca 0.40 0.04 -0.33 0.00 -1.71 0.00 0.00 55.69 54.09 3ubp s MET 528 Cb 0.20 -3.98 -0.11 0.00 2.01 0.00 0.00 34.83 32.95 3ubp s MET 528 CO 0.33 -1.37 1.85 1.63 -0.01 0.00 0.00 175.02 177.45 3ubp n LYS 529 N 7.44 2.40 -1.02 2.03 4.76 -1.26 -1.88 118.16 130.63 3ubp n LYS 529 Ca 0.05 0.88 -0.01 0.00 -2.87 0.00 0.00 58.31 56.36 3ubp n LYS 529 Cb 0.48 -2.74 -0.00 0.00 -1.84 0.00 0.00 35.03 30.92 3ubp n LYS 529 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 3ubp n TRP 530 N 6.24 0.00 -2.82 2.13 7.02 -1.26 -4.76 117.44 123.99 3ubp n TRP 530 Ca 0.21 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.58 3ubp n TRP 530 Cb 0.33 -1.60 0.05 0.00 -2.42 0.00 0.00 31.31 27.67 3ubp n TRP 530 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3ubp n ASN 531 N -0.76 -0.44 -0.35 -0.99 3.02 -0.79 -4.70 115.26 110.25 3ubp n ASN 531 Ca -0.01 -2.96 0.08 0.00 -0.03 0.00 0.00 54.58 51.66 3ubp n ASN 531 Cb 0.39 0.42 0.17 0.00 -0.61 0.00 0.00 39.78 40.15 3ubp n ASN 531 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ubp n ASP 532 N -0.01 2.29 -4.70 6.41 5.75 -1.17 -4.55 116.55 120.57 3ubp n ASP 532 Ca 0.09 -3.36 -0.42 0.00 -0.01 0.00 0.00 54.79 51.10 3ubp n ASP 532 Cb 0.76 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 3ubp n ASP 532 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ubp s VAL 533 N -3.00 4.89 -0.07 2.12 1.01 -1.14 -4.36 120.40 119.86 3ubp s VAL 533 Ca 0.35 1.85 0.01 0.00 0.00 0.00 0.00 61.98 64.20 3ubp s VAL 533 Cb 0.32 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ubp s VAL 533 CO 0.00 0.12 -0.07 0.42 0.00 0.00 0.00 175.10 175.58 3ubp s THR 534 N 1.38 3.69 0.06 3.92 -4.23 -1.26 -4.69 115.64 114.50 3ubp s THR 534 Ca 0.46 -0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 60.20 3ubp s THR 534 Cb -0.19 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.23 3ubp s THR 534 CO 0.21 0.59 0.88 0.28 -0.54 0.00 0.00 174.62 176.05 3ubp s THR 535 N -0.82 0.00 -0.50 3.99 -1.32 -0.83 -5.05 115.64 111.12 3ubp s THR 535 Ca 0.13 -0.21 -0.26 0.00 -1.21 0.00 0.00 61.69 60.13 3ubp s THR 535 Cb -0.11 -1.31 0.03 0.00 -1.51 0.00 0.00 72.50 69.60 3ubp s THR 535 CO 0.02 0.00 1.01 -1.81 -2.21 0.00 0.00 174.62 171.62 3ubp s ASP 536 N -2.65 6.49 -0.29 8.08 1.01 -1.26 -4.23 116.67 123.82 3ubp s ASP 536 Ca 0.07 0.09 -0.17 0.00 0.71 0.00 0.00 52.55 53.25 3ubp s ASP 536 Cb -0.01 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3ubp s ASP 536 CO -0.06 -1.19 0.48 -0.63 0.21 0.00 0.00 175.17 173.98 3ubp s ILE 537 N 4.11 5.08 -0.27 0.77 1.01 -1.26 -4.30 121.20 126.34 3ubp s ILE 537 Ca 0.39 0.66 -0.09 0.00 0.00 0.00 0.00 60.65 61.61 3ubp s ILE 537 Cb -0.10 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3ubp s ILE 537 CO 0.26 0.02 0.12 -0.62 0.00 0.00 0.00 174.94 174.72 3ubp s ASP 538 N 1.63 5.49 -0.27 3.58 2.15 -0.44 -4.74 116.67 124.07 3ubp s ASP 538 Ca 0.19 -0.16 -0.03 0.00 0.43 0.00 0.00 52.55 52.97 3ubp s ASP 538 Cb -0.16 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.49 3ubp s ASP 538 CO 0.10 -0.05 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.40 3ubp s ILE 539 N 1.67 3.18 0.12 4.11 1.01 -1.26 -0.21 121.20 129.82 3ubp s ILE 539 Ca 0.06 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.43 3ubp s ILE 539 Cb -0.16 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.58 3ubp s ILE 539 CO 0.07 0.13 1.59 0.21 0.00 0.00 0.00 174.94 176.93 3ubp s ASN 540 N 1.36 6.62 0.34 3.58 3.84 -0.05 -4.90 114.94 125.73 3ubp s ASN 540 Ca 0.00 2.53 0.12 0.00 0.21 0.00 0.00 52.86 55.72 3ubp s ASN 540 Cb -0.17 -2.58 0.59 0.00 -0.55 0.00 0.00 41.25 38.54 3ubp s ASN 540 CO -0.02 -0.83 1.75 1.55 -2.79 0.00 0.00 177.10 176.76 3ubp h PRO 541 N 7.46 0.00 0.03 0.43 0.13 -1.95 0.32 132.00 138.42 3ubp h PRO 541 Ca -0.42 -0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 3ubp h PRO 541 Cb 1.20 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3ubp h PRO 541 CO 0.92 0.46 -1.98 -1.91 -0.23 0.00 0.00 178.00 175.26 3ubp n GLU 542 N -4.00 0.63 0.00 0.86 2.13 -1.26 -4.58 120.64 114.42 3ubp n GLU 542 Ca -0.02 0.35 0.10 0.00 0.66 0.00 0.00 57.16 58.25 3ubp n GLU 542 Cb 0.48 -1.63 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 3ubp n GLU 542 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3ubp n THR 543 N -3.98 0.00 -1.04 6.31 -2.24 -1.20 -4.95 114.28 107.17 3ubp n THR 543 Ca -0.41 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.22 3ubp n THR 543 Cb 0.87 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 70.19 3ubp n THR 543 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ubp n TYR 544 N -0.88 0.00 -1.96 4.78 4.01 0.11 -4.96 117.16 118.27 3ubp n TYR 544 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 3ubp n TYR 544 Cb 0.35 -0.92 -0.02 0.00 -0.31 0.00 0.00 39.34 38.44 3ubp n TYR 544 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ubp s GLU 545 N -1.08 4.23 -0.19 -0.72 2.02 -1.26 -4.52 118.70 117.18 3ubp s GLU 545 Ca 0.00 2.36 -0.09 0.00 0.02 0.00 0.00 54.97 57.26 3ubp s GLU 545 Cb 0.00 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 3ubp s GLU 545 CO 0.00 -0.50 0.11 0.08 0.02 0.00 0.00 175.26 174.98 3ubp s VAL 546 N 0.24 5.26 -0.00 2.63 1.01 -1.26 -0.87 120.40 127.40 3ubp s VAL 546 Ca 0.62 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3ubp s VAL 546 Cb -0.43 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3ubp s VAL 546 CO 0.41 0.45 -0.20 -0.54 0.00 0.00 0.00 175.10 175.23 3ubp s LYS 547 N 0.33 1.55 -0.06 2.72 1.02 0.71 -0.79 119.74 125.20 3ubp s LYS 547 Ca 0.07 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.32 3ubp s LYS 547 Cb -0.11 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 3ubp s LYS 547 CO -0.01 0.41 -0.07 0.08 -0.92 0.00 0.00 175.35 174.84 3ubp s VAL 548 N -0.53 0.81 -1.46 3.17 1.01 -0.33 -1.33 120.40 121.74 3ubp s VAL 548 Ca 0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3ubp s VAL 548 Cb -0.08 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.55 3ubp s VAL 548 CO -0.00 0.30 0.82 0.47 0.00 0.00 0.00 175.10 176.69 3ubp n ASP 549 N 4.17 -5.07 0.00 3.32 8.00 -1.26 -1.67 116.55 124.05 3ubp n ASP 549 Ca -0.21 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3ubp n ASP 549 Cb 0.51 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 3ubp n ASP 549 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ubp n GLY 550 N -1.58 1.92 3.64 0.44 0.00 -1.26 -4.99 105.19 103.35 3ubp n GLY 550 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ubp n GLY 550 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ubp s GLU 551 N -0.02 3.04 0.21 1.61 -1.05 -0.67 -5.05 118.70 116.77 3ubp s GLU 551 Ca 0.00 -0.45 -0.30 0.00 -0.15 0.00 0.00 54.97 54.07 3ubp s GLU 551 Cb 0.00 -2.77 -0.09 0.00 -0.44 0.00 0.00 34.13 30.83 3ubp s GLU 551 CO 0.00 0.63 1.32 0.08 0.95 0.00 0.00 175.26 178.24 3ubp s VAL 552 N -0.69 3.14 -0.51 1.83 1.01 -1.26 -1.19 120.40 122.73 3ubp s VAL 552 Ca 0.11 0.95 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 3ubp s VAL 552 Cb -0.12 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.77 3ubp s VAL 552 CO 0.02 0.15 0.43 -0.76 0.00 0.00 0.00 175.10 174.94 3ubp s LEU 553 N -0.23 5.92 0.04 3.92 1.43 0.03 -4.94 118.68 124.84 3ubp s LEU 553 Ca 0.56 -1.73 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 3ubp s LEU 553 Cb -0.37 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3ubp s LEU 553 CO 0.39 -0.77 -0.06 0.28 0.23 0.00 0.00 176.35 176.43 3ubp s THR 554 N 1.54 0.37 0.23 5.49 -1.32 -1.26 -4.35 115.64 116.33 3ubp s THR 554 Ca 0.04 -1.11 -0.18 0.00 -1.21 0.00 0.00 61.69 59.23 3ubp s THR 554 Cb -0.28 -0.59 0.02 0.00 -1.51 0.00 0.00 72.50 70.14 3ubp s THR 554 CO 0.03 -0.49 0.57 0.00 -2.21 0.00 0.00 174.62 172.51 3ubp s GLU 556 N -3.91 3.79 0.36 0.00 0.41 -1.26 -4.86 118.70 113.22 3ubp s GLU 556 Ca 0.12 0.31 -0.26 0.00 -0.41 0.00 0.00 54.97 54.73 3ubp s GLU 556 Cb -0.02 -2.56 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 3ubp s GLU 556 CO 0.02 0.19 1.16 -1.25 -0.49 0.00 0.00 175.26 174.89 3ubp s PRO 557 N -3.23 4.23 0.18 0.39 0.04 -1.26 -4.93 135.00 130.42 3ubp s PRO 557 Ca 0.48 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.38 3ubp s PRO 557 Cb -0.11 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3ubp s PRO 557 CO 0.25 -0.16 0.33 0.14 0.04 0.00 0.00 177.00 177.59 3ubp s VAL 558 N -1.35 5.28 -0.16 -0.36 -7.23 -0.93 -4.66 120.40 110.99 3ubp s VAL 558 Ca 0.53 -0.65 0.19 0.00 -1.81 0.00 0.00 61.98 60.24 3ubp s VAL 558 Cb -0.31 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 32.77 3ubp s VAL 558 CO 0.40 -0.16 0.87 0.29 -0.31 0.00 0.00 175.10 176.18 3ubp n LYS 559 N -0.74 0.62 -4.08 4.82 5.02 -1.26 -1.50 118.16 121.04 3ubp n LYS 559 Ca -0.07 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 3ubp n LYS 559 Cb 0.54 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3ubp n LYS 559 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ubp s GLU 560 N -3.10 0.48 0.13 1.97 2.12 -1.26 -4.89 118.70 114.15 3ubp s GLU 560 Ca -0.02 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.78 3ubp s GLU 560 Cb 0.09 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 3ubp s GLU 560 CO 0.81 0.06 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.91 3ubp s LEU 561 N -1.19 2.39 1.07 2.70 1.43 -1.26 -5.11 118.68 118.72 3ubp s LEU 561 Ca -0.07 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 3ubp s LEU 561 Cb -0.08 -0.68 0.24 0.00 0.03 0.00 0.00 46.19 45.70 3ubp s LEU 561 CO 0.00 -0.08 1.22 -2.16 0.23 0.00 0.00 176.35 175.56 3ubp s PRO 562 N -2.56 -0.21 -1.46 1.29 0.04 -1.26 -4.30 135.00 126.54 3ubp s PRO 562 Ca 0.10 -0.24 -0.10 0.00 0.04 0.00 0.00 61.00 60.80 3ubp s PRO 562 Cb -0.06 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.79 3ubp s PRO 562 CO 0.04 -3.01 0.93 -1.33 0.04 0.00 0.00 177.00 173.68 3ubp n MET 563 N -4.22 -6.00 0.00 4.56 2.81 -1.26 -4.87 117.12 108.13 3ubp n MET 563 Ca 0.14 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 3ubp n MET 563 Cb 0.59 -5.64 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 3ubp n MET 563 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ubp n ALA 564 N -4.47 0.00 0.50 3.04 0.00 -1.26 -4.96 120.51 113.36 3ubp n ALA 564 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3ubp n ALA 564 Cb 0.55 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.39 3ubp n ALA 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ubp n GLN 565 N 0.00 0.06 0.21 0.00 6.02 -1.26 -1.37 117.38 121.05 3ubp n GLN 565 Ca 0.00 0.29 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 3ubp n GLN 565 Cb 0.00 -1.62 0.44 0.00 1.02 0.00 0.00 30.24 30.08 3ubp n GLN 565 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3ubp h ARG 566 N 0.00 0.00 0.00 -1.09 2.43 -1.94 -3.35 114.38 110.43 3ubp h ARG 566 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 3ubp h ARG 566 Cb 0.31 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3ubp h ARG 566 CO 0.00 0.26 -1.86 0.66 -1.51 0.00 0.00 179.97 177.52 3ubp n TYR 567 N -3.45 0.00 -3.62 2.20 4.01 -0.47 -5.04 117.16 110.79 3ubp n TYR 567 Ca -0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3ubp n TYR 567 Cb 0.44 -0.59 -0.06 0.00 -0.31 0.00 0.00 39.34 38.82 3ubp n TYR 567 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ubp s PHE 568 N -2.30 3.69 -0.02 -0.72 0.08 -1.05 -4.98 117.98 112.67 3ubp s PHE 568 Ca -0.18 0.85 0.18 0.00 0.12 0.00 0.00 56.93 57.90 3ubp s PHE 568 Cb 0.05 -2.18 0.39 0.00 -0.57 0.00 0.00 43.02 40.70 3ubp s PHE 568 CO 0.38 0.67 1.59 1.25 -0.10 0.00 0.00 175.22 179.01 3ubp h LEU 569 N 4.82 0.00 -0.21 -0.37 5.85 -1.93 -3.47 115.31 120.00 3ubp h LEU 569 Ca -0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3ubp h LEU 569 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ubp h LEU 569 CO 0.61 0.41 0.00 0.49 -0.34 0.00 0.00 178.44 179.61