#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ubp s LYS 2 N 0.00 1.24 -0.16 2.12 1.02 -1.26 -5.14 119.74 117.56 2ubp s LYS 2 Ca 0.00 -1.14 -0.02 0.00 0.02 0.00 0.00 55.97 54.83 2ubp s LYS 2 Cb 0.00 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 2ubp s LYS 2 CO 0.00 0.36 -0.08 0.42 -0.92 0.00 0.00 175.35 175.13 2ubp s ILE 3 N -1.06 3.36 0.70 2.17 1.01 -1.26 -5.10 121.20 121.02 2ubp s ILE 3 Ca 0.08 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 2ubp s ILE 3 Cb -0.10 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2ubp s ILE 3 CO 0.04 0.49 1.17 0.54 0.00 0.00 0.00 174.94 177.18 2ubp s ASN 4 N 0.64 4.55 0.30 3.58 4.22 -1.26 -4.77 114.94 122.20 2ubp s ASN 4 Ca -0.05 2.21 -0.01 0.00 -2.14 0.00 0.00 52.86 52.87 2ubp s ASN 4 Cb -0.15 -2.57 0.45 0.00 1.28 0.00 0.00 41.25 40.26 2ubp s ASN 4 CO 0.03 -2.01 1.91 0.03 -2.04 0.00 0.00 177.10 175.01 2ubp h ARG 5 N -0.17 0.94 -0.31 3.55 2.47 -1.99 -0.83 114.38 118.04 2ubp h ARG 5 Ca -0.47 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.13 2ubp h ARG 5 Cb 1.28 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 2ubp h ARG 5 CO 0.51 0.71 0.17 0.37 0.56 0.00 0.00 179.97 182.29 2ubp h GLN 6 N 0.94 0.43 -0.68 0.04 5.75 -1.99 -1.15 115.11 118.44 2ubp h GLN 6 Ca 0.23 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 2ubp h GLN 6 Cb 0.07 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2ubp h GLN 6 CO -0.03 0.37 0.14 0.37 -2.65 0.00 0.00 178.83 177.02 2ubp h GLN 7 N 0.38 1.10 -0.06 1.69 5.75 -1.85 -1.48 115.11 120.64 2ubp h GLN 7 Ca 0.11 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2ubp h GLN 7 Cb 0.06 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2ubp h GLN 7 CO -0.02 0.99 -0.04 -0.92 -2.65 0.00 0.00 178.83 176.19 2ubp h TYR 8 N 1.04 -0.08 -0.45 3.99 5.03 -0.93 -1.90 116.97 123.66 2ubp h TYR 8 Ca 0.21 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 2ubp h TYR 8 Cb 0.40 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 2ubp h TYR 8 CO 0.03 -0.06 -0.12 0.00 -1.32 0.00 0.00 178.16 176.69 2ubp h ALA 9 N 1.02 0.93 -0.81 1.82 0.00 -1.06 0.57 119.26 121.72 2ubp h ALA 9 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2ubp h ALA 9 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2ubp h ALA 9 CO -0.08 0.62 0.41 0.93 0.00 0.00 0.00 179.25 181.13 2ubp h GLU 10 N 0.75 1.14 0.09 0.00 5.08 -1.07 -0.74 114.58 119.85 2ubp h GLU 10 Ca 0.12 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 2ubp h GLU 10 Cb 0.63 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.68 2ubp h GLU 10 CO 0.04 0.86 -0.68 0.77 -1.00 0.00 0.00 179.01 179.00 2ubp h SER 11 N 1.13 0.44 -0.01 1.42 0.02 -0.80 -3.41 113.55 112.34 2ubp h SER 11 Ca 0.28 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2ubp h SER 11 Cb 0.08 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2ubp h SER 11 CO -0.04 1.31 0.00 -1.22 -1.14 0.00 0.00 176.83 175.74 2ubp n TYR 12 N -4.20 0.00 0.00 3.45 4.01 0.14 -4.93 117.16 115.63 2ubp n TYR 12 Ca -0.13 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2ubp n TYR 12 Cb 0.75 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 2ubp n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ubp n GLY 13 N 0.12 -0.59 3.76 2.72 0.00 -0.28 -4.47 105.19 106.44 2ubp n GLY 13 Ca 0.01 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2ubp n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ubp s PRO 14 N -2.14 2.37 0.37 1.61 0.04 -1.26 -4.10 135.00 131.90 2ubp s PRO 14 Ca 0.00 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.41 2ubp s PRO 14 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2ubp s PRO 14 CO 0.00 -1.58 0.17 -0.08 0.04 0.00 0.00 177.00 175.56 2ubp s THR 15 N -2.59 0.39 -0.06 1.26 -1.32 -1.26 -4.91 115.64 107.15 2ubp s THR 15 Ca 0.65 -2.00 -0.40 0.00 -1.21 0.00 0.00 61.69 58.73 2ubp s THR 15 Cb -0.20 -2.40 -0.18 0.00 -1.51 0.00 0.00 72.50 68.20 2ubp s THR 15 CO 0.50 0.00 1.29 0.52 -2.21 0.00 0.00 174.62 174.72 2ubp n VAL 16 N -0.79 0.03 0.00 5.08 0.31 -1.26 -1.28 118.33 120.42 2ubp n VAL 16 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2ubp n VAL 16 Cb 0.64 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 2ubp n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ubp n GLY 17 N 2.41 3.24 3.78 2.92 0.00 -0.74 -4.98 105.19 111.83 2ubp n GLY 17 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2ubp n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ubp s ASP 18 N -0.69 6.38 0.14 1.61 1.01 -0.41 -4.76 116.67 119.96 2ubp s ASP 18 Ca 0.00 2.06 0.11 0.00 0.71 0.00 0.00 52.55 55.43 2ubp s ASP 18 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2ubp s ASP 18 CO 0.00 -0.76 -0.25 -1.61 0.21 0.00 0.00 175.17 172.76 2ubp s GLU 19 N -2.90 1.47 -0.04 8.23 2.02 -1.26 -1.36 118.70 124.85 2ubp s GLU 19 Ca 0.64 -1.38 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2ubp s GLU 19 Cb -0.21 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.12 2ubp s GLU 19 CO 0.26 0.44 -0.09 0.08 0.02 0.00 0.00 175.26 175.97 2ubp s VAL 20 N -1.22 0.80 0.23 2.63 1.01 0.22 -4.96 120.40 119.11 2ubp s VAL 20 Ca 0.16 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2ubp s VAL 20 Cb -0.10 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2ubp s VAL 20 CO 0.07 0.26 0.96 -0.60 0.00 0.00 0.00 175.10 175.79 2ubp s ARG 21 N 0.43 4.82 -0.51 2.72 3.52 -1.26 -1.86 118.95 126.81 2ubp s ARG 21 Ca -0.07 1.51 -0.25 0.00 -0.13 0.00 0.00 55.73 56.79 2ubp s ARG 21 Cb -0.11 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 2ubp s ARG 21 CO 0.01 0.46 0.93 -0.51 -0.81 0.00 0.00 175.30 175.38 2ubp s LEU 22 N -1.05 4.07 0.00 -0.88 1.43 -0.58 -4.74 118.68 116.93 2ubp s LEU 22 Ca 0.42 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2ubp s LEU 22 Cb -0.26 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2ubp s LEU 22 CO 0.32 -1.15 0.00 0.00 0.23 0.00 0.00 176.35 175.76 2ubp n ALA 23 N 7.32 0.00 -1.10 4.21 0.00 -0.42 -1.42 120.51 129.10 2ubp n ALA 23 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2ubp n ALA 23 Cb 0.48 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.21 2ubp n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ubp n ASP 24 N 1.61 4.31 -4.16 0.00 5.75 -1.26 -4.84 116.55 117.97 2ubp n ASP 24 Ca 0.00 -3.26 -0.29 0.00 -0.01 0.00 0.00 54.79 51.23 2ubp n ASP 24 Cb 0.00 -0.69 0.18 0.00 -1.03 0.00 0.00 41.12 39.58 2ubp n ASP 24 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ubp s THR 25 N -3.00 2.01 -2.40 2.12 -4.23 -0.51 -4.78 115.64 104.85 2ubp s THR 25 Ca 0.51 -0.07 0.23 0.00 -1.18 0.00 0.00 61.69 61.18 2ubp s THR 25 Cb 0.42 -2.94 0.46 0.00 1.34 0.00 0.00 72.50 71.77 2ubp s THR 25 CO 0.11 0.00 1.56 0.47 -0.54 0.00 0.00 174.62 176.22 2ubp n ASP 26 N -3.69 1.91 -4.73 3.99 9.92 -1.26 -4.64 116.55 118.05 2ubp n ASP 26 Ca 0.16 -1.71 -0.40 0.00 -0.53 0.00 0.00 54.79 52.30 2ubp n ASP 26 Cb 0.59 -0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 40.94 2ubp n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ubp s LEU 27 N -1.69 4.41 -0.11 0.64 1.43 -1.26 -5.01 118.68 117.09 2ubp s LEU 27 Ca 0.34 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.96 2ubp s LEU 27 Cb 0.19 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2ubp s LEU 27 CO 0.29 -0.09 -0.23 0.26 0.23 0.00 0.00 176.35 176.81 2ubp s TRP 28 N 0.39 2.58 -0.01 0.29 0.52 -1.26 -1.53 118.94 119.91 2ubp s TRP 28 Ca 0.43 -1.12 0.01 0.00 0.02 0.00 0.00 56.10 55.44 2ubp s TRP 28 Cb -0.20 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 2ubp s TRP 28 CO 0.24 -0.47 -0.02 0.96 0.02 0.00 0.00 176.95 177.68 2ubp s ILE 29 N 0.47 4.04 -0.08 2.03 -4.36 -0.78 0.12 121.20 122.64 2ubp s ILE 29 Ca -0.16 -0.59 0.03 0.00 -0.26 0.00 0.00 60.65 59.68 2ubp s ILE 29 Cb -0.17 -2.77 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 2ubp s ILE 29 CO 0.06 0.42 -0.18 -0.70 0.24 0.00 0.00 174.94 174.78 2ubp s GLU 30 N -1.40 2.79 0.03 0.37 2.12 -1.26 -0.61 118.70 120.75 2ubp s GLU 30 Ca 0.18 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 2ubp s GLU 30 Cb -0.11 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.82 2ubp s GLU 30 CO 0.08 0.41 1.70 0.08 -0.54 0.00 0.00 175.26 176.99 2ubp s VAL 31 N -0.19 3.17 -0.09 3.70 1.01 -0.46 -4.77 120.40 122.77 2ubp s VAL 31 Ca -0.01 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2ubp s VAL 31 Cb -0.13 -3.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.69 2ubp s VAL 31 CO 0.03 -0.02 0.49 -0.62 0.00 0.00 0.00 175.10 174.99 2ubp n GLU 32 N 6.24 0.70 -3.67 2.72 1.02 0.01 -1.79 120.64 125.88 2ubp n GLU 32 Ca 0.17 0.27 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 2ubp n GLU 32 Cb 0.41 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 2ubp n GLU 32 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2ubp s LYS 33 N -2.58 1.54 -0.07 3.49 -2.85 -1.26 -4.87 119.74 113.15 2ubp s LYS 33 Ca -0.14 -0.76 -0.03 0.00 -1.00 0.00 0.00 55.97 54.04 2ubp s LYS 33 Cb 0.07 0.59 0.04 0.00 -2.06 0.00 0.00 37.83 36.47 2ubp s LYS 33 CO 0.79 -0.69 0.13 0.34 0.10 0.00 0.00 175.35 176.03 2ubp s ASP 34 N -2.85 0.37 0.00 0.03 -1.08 -1.26 -1.22 116.67 110.66 2ubp s ASP 34 Ca 0.07 0.27 0.30 0.00 -0.52 0.00 0.00 52.55 52.67 2ubp s ASP 34 Cb -0.03 0.17 1.44 0.00 -1.46 0.00 0.00 42.92 43.04 2ubp s ASP 34 CO -0.02 -0.19 2.00 -1.22 0.52 0.00 0.00 175.17 176.25 2ubp n TYR 35 N 4.76 0.00 -1.28 -5.34 4.02 -0.66 -4.93 117.16 113.73 2ubp n TYR 35 Ca -0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.44 2ubp n TYR 35 Cb 0.51 -0.22 0.19 0.00 -0.02 0.00 0.00 39.34 39.80 2ubp n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2ubp s THR 36 N -2.49 1.85 -0.27 -0.72 -1.32 -1.26 -4.53 115.64 106.90 2ubp s THR 36 Ca 0.30 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 2ubp s THR 36 Cb 0.20 -2.59 0.05 0.00 -1.51 0.00 0.00 72.50 68.66 2ubp s THR 36 CO 0.46 0.00 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.91 2ubp s THR 37 N -3.13 2.47 0.05 5.08 2.01 -1.26 -5.08 115.64 115.78 2ubp s THR 37 Ca 0.68 -1.51 -0.34 0.00 0.31 0.00 0.00 61.69 60.83 2ubp s THR 37 Cb -0.13 -2.42 -0.13 0.00 0.01 0.00 0.00 72.50 69.83 2ubp s THR 37 CO 0.56 -0.03 1.71 -1.22 -0.69 0.00 0.00 174.62 174.95 2ubp n TYR 38 N 4.51 2.29 0.00 4.92 4.01 -1.26 -0.96 117.16 130.67 2ubp n TYR 38 Ca -0.14 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2ubp n TYR 38 Cb 0.43 -2.60 0.00 0.00 -0.31 0.00 0.00 39.34 36.86 2ubp n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ubp n GLY 39 N 3.85 3.39 0.66 2.72 0.00 -1.26 -4.88 105.19 109.67 2ubp n GLY 39 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2ubp n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ubp n ASP 40 N 0.00 3.23 -4.56 1.61 8.00 -0.13 -5.04 116.55 119.66 2ubp n ASP 40 Ca 0.00 -3.14 -0.43 0.00 0.71 0.00 0.00 54.79 51.93 2ubp n ASP 40 Cb 0.00 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.58 2ubp n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ubp n GLU 41 N -0.87 1.13 -3.07 -1.24 4.71 -1.23 -4.81 120.64 115.26 2ubp n GLU 41 Ca 0.21 0.40 -0.34 0.00 -0.01 0.00 0.00 57.16 57.42 2ubp n GLU 41 Cb 0.83 -1.80 -0.06 0.00 -1.01 0.00 0.00 31.44 29.40 2ubp n GLU 41 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ubp s VAL 42 N -1.21 4.59 0.01 2.62 1.01 -1.26 -4.90 120.40 121.26 2ubp s VAL 42 Ca 0.61 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 2ubp s VAL 42 Cb -0.65 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.14 2ubp s VAL 42 CO 0.58 -0.08 0.87 0.54 0.00 0.00 0.00 175.10 177.01 2ubp s ASN 43 N -2.06 -0.38 -0.03 3.32 2.20 -1.26 -4.74 114.94 112.00 2ubp s ASN 43 Ca 0.52 -0.00 0.03 0.00 -0.94 0.00 0.00 52.86 52.46 2ubp s ASN 43 Cb -0.12 0.40 -0.00 0.00 -2.00 0.00 0.00 41.25 39.53 2ubp s ASN 43 CO 0.18 -0.65 -0.11 0.12 -2.94 0.00 0.00 177.10 173.70 2ubp s PHE 44 N -3.17 1.12 -5.00 1.54 2.19 -1.26 -1.69 117.98 111.71 2ubp s PHE 44 Ca 0.05 -0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.03 2ubp s PHE 44 Cb -0.01 -0.78 0.00 0.00 -1.31 0.00 0.00 43.02 40.92 2ubp s PHE 44 CO -0.09 -0.10 0.00 0.41 1.83 0.00 0.00 175.22 177.27 2ubp n GLY 45 N 3.17 -0.33 3.68 13.12 0.00 -1.26 -4.95 105.19 118.62 2ubp n GLY 45 Ca -0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2ubp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ubp s GLY 46 N 0.00 1.78 -0.64 -0.02 0.00 -1.26 -2.20 107.32 104.98 2ubp s GLY 46 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2ubp s GLY 46 CO 0.00 2.60 0.00 0.61 0.00 0.00 0.00 173.10 176.31 2ubp n GLY 47 N 3.73 0.79 4.02 0.20 0.00 -1.26 -4.99 105.19 107.69 2ubp n GLY 47 Ca 0.14 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2ubp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ubp s LYS 48 N -2.09 2.25 0.24 1.61 1.02 -0.93 -5.04 119.74 116.80 2ubp s LYS 48 Ca 0.00 -1.50 0.03 0.00 0.02 0.00 0.00 55.97 54.52 2ubp s LYS 48 Cb 0.00 -2.60 0.27 0.00 -0.52 0.00 0.00 37.83 34.98 2ubp s LYS 48 CO 0.00 -0.91 1.59 0.28 -0.92 0.00 0.00 175.35 175.39 2ubp h VAL 49 N 0.09 1.35 -1.82 3.17 2.07 -1.85 -3.39 116.25 115.87 2ubp h VAL 49 Ca -0.32 -1.80 -0.74 0.00 0.82 0.00 0.00 66.70 64.65 2ubp h VAL 49 Cb 1.28 1.85 -0.17 0.00 -1.52 0.00 0.00 31.29 32.73 2ubp h VAL 49 CO 0.41 0.54 1.65 0.18 0.02 0.00 0.00 177.57 180.37 2ubp n LEU 50 N -3.94 5.79 -3.96 2.57 4.77 -0.68 0.15 117.00 121.71 2ubp n LEU 50 Ca -0.02 -4.52 -0.14 0.00 -0.03 0.00 0.00 56.01 51.29 2ubp n LEU 50 Cb 0.57 -1.57 -0.14 0.00 -2.33 0.00 0.00 43.42 39.96 2ubp n LEU 50 CO 0.44 0.98 -0.39 -0.13 -1.33 0.00 0.00 177.39 176.96 2ubp s ARG 51 N 1.14 0.36 0.06 3.23 0.52 -1.26 -4.69 118.95 118.31 2ubp s ARG 51 Ca 0.42 -0.25 -0.35 0.00 -0.52 0.00 0.00 55.73 55.02 2ubp s ARG 51 Cb 0.02 -0.30 -0.14 0.00 0.52 0.00 0.00 34.95 35.05 2ubp s ARG 51 CO 0.00 0.08 1.59 -1.91 0.02 0.00 0.00 175.30 175.08 2ubp n GLU 52 N 2.70 1.84 0.00 3.54 0.00 -1.26 -1.23 120.64 126.23 2ubp n GLU 52 Ca -0.15 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.68 2ubp n GLU 52 Cb 0.58 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.61 2ubp n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ubp n GLY 53 N 3.45 1.98 0.00 8.31 0.00 -0.14 -4.92 105.19 113.87 2ubp n GLY 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ubp n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ubp n MET 54 N -2.00 0.00 0.04 1.61 2.81 -0.36 -4.92 117.12 114.29 2ubp n MET 54 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 2ubp n MET 54 Cb 0.00 0.00 0.51 0.00 -0.71 0.00 0.00 33.22 33.02 2ubp n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ubp n GLY 55 N 5.00 -1.47 3.51 3.03 0.00 0.12 -4.55 105.19 110.83 2ubp n GLY 55 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2ubp n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ubp s GLU 56 N -3.05 3.77 0.06 1.61 2.12 -0.90 -2.60 118.70 119.71 2ubp s GLU 56 Ca 0.12 -0.43 -0.31 0.00 0.36 0.00 0.00 54.97 54.71 2ubp s GLU 56 Cb 0.15 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.20 2ubp s GLU 56 CO 0.50 -0.02 1.21 1.21 -0.54 0.00 0.00 175.26 177.62 2ubp s ASN 57 N 1.18 7.07 -0.04 -1.70 3.84 0.48 -0.97 114.94 124.80 2ubp s ASN 57 Ca 0.04 2.03 0.16 0.00 0.21 0.00 0.00 52.86 55.30 2ubp s ASN 57 Cb -0.14 -2.58 0.50 0.00 -0.55 0.00 0.00 41.25 38.47 2ubp s ASN 57 CO 0.03 -0.48 1.42 0.61 -2.79 0.00 0.00 177.10 175.89 2ubp n GLY 58 N 3.23 2.85 0.18 1.21 0.00 -1.26 -3.95 105.19 107.45 2ubp n GLY 58 Ca 0.09 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 2ubp n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ubp n THR 59 N 0.79 1.12 -2.90 2.61 -1.04 -1.26 -5.00 114.28 108.60 2ubp n THR 59 Ca 0.19 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.05 61.42 2ubp n THR 59 Cb 0.62 -1.37 -0.06 0.00 -1.82 0.00 0.00 70.33 67.70 2ubp n THR 59 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2ubp s TYR 60 N -2.38 3.91 0.84 -1.42 2.02 -1.26 -5.06 117.35 114.00 2ubp s TYR 60 Ca -0.27 1.73 -0.11 0.00 -0.37 0.00 0.00 57.07 58.04 2ubp s TYR 60 Cb 0.08 -2.84 0.10 0.00 -0.40 0.00 0.00 41.96 38.90 2ubp s TYR 60 CO 0.42 0.47 1.09 0.95 -1.57 0.00 0.00 175.55 176.91 2ubp s THR 61 N -1.20 2.95 0.25 -0.71 -4.23 -1.26 -4.55 115.64 106.89 2ubp s THR 61 Ca 0.39 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 2ubp s THR 61 Cb -0.24 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.00 2ubp s THR 61 CO 0.28 -0.40 1.77 -0.09 -0.54 0.00 0.00 174.62 175.63 2ubp h ARG 62 N -1.34 0.62 0.00 3.99 2.43 -1.97 -1.35 114.38 116.76 2ubp h ARG 62 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2ubp h ARG 62 Cb 1.26 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2ubp h ARG 62 CO 0.54 0.41 0.00 1.79 -1.51 0.00 0.00 179.97 181.20 2ubp h THR 63 N 0.64 0.00 -1.73 0.20 1.35 -1.92 -3.07 112.91 108.38 2ubp h THR 63 Ca 0.44 -0.36 -0.77 0.00 -0.55 0.00 0.00 66.41 65.16 2ubp h THR 63 Cb 0.57 1.34 -0.18 0.00 -1.73 0.00 0.00 68.15 68.14 2ubp h THR 63 CO -0.33 0.00 1.75 -0.62 -0.25 0.00 0.00 175.52 176.06 2ubp n GLU 64 N -3.02 3.87 -2.08 4.72 1.02 -0.51 -4.62 120.64 120.02 2ubp n GLU 64 Ca -0.00 -3.77 -0.19 0.00 -0.02 0.00 0.00 57.16 53.18 2ubp n GLU 64 Cb 0.24 -2.81 -0.03 0.00 -0.02 0.00 0.00 31.44 28.81 2ubp n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ubp n ASN 65 N 3.15 -5.39 -4.77 1.62 3.02 -1.26 -4.73 115.26 106.91 2ubp n ASN 65 Ca 0.37 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.71 2ubp n ASN 65 Cb 0.35 -4.47 -0.08 0.00 -0.61 0.00 0.00 39.78 34.97 2ubp n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ubp s VAL 66 N -2.86 4.83 0.35 2.41 1.01 -1.16 -1.97 120.40 123.02 2ubp s VAL 66 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2ubp s VAL 66 Cb 0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.23 2ubp s VAL 66 CO 0.00 0.61 0.74 -0.76 0.00 0.00 0.00 175.10 175.69 2ubp s LEU 67 N -0.92 3.98 0.11 3.92 1.43 -0.44 -4.80 118.68 121.97 2ubp s LEU 67 Ca 0.14 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2ubp s LEU 67 Cb -0.12 -4.03 -0.17 0.00 0.03 0.00 0.00 46.19 41.90 2ubp s LEU 67 CO 0.03 -0.28 1.25 0.44 0.23 0.00 0.00 176.35 178.02 2ubp h ASP 68 N 1.87 0.33 -3.40 2.29 3.32 -1.47 -3.11 116.42 116.26 2ubp h ASP 68 Ca -0.48 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.12 2ubp h ASP 68 Cb 1.18 -0.11 -0.27 0.00 0.22 0.00 0.00 39.33 40.36 2ubp h ASP 68 CO 0.65 1.19 -0.33 -0.22 -1.72 0.00 0.00 179.24 178.81 2ubp s LEU 69 N -7.25 0.16 -0.16 1.55 2.96 -0.84 -0.76 118.68 114.33 2ubp s LEU 69 Ca -0.03 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2ubp s LEU 69 Cb 0.09 1.22 0.01 0.00 0.50 0.00 0.00 46.19 48.00 2ubp s LEU 69 CO 0.86 -0.17 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.32 2ubp s LEU 70 N 1.09 2.33 -0.38 -0.68 2.96 -0.33 -0.57 118.68 123.11 2ubp s LEU 70 Ca -0.07 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 2ubp s LEU 70 Cb -0.07 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2ubp s LEU 70 CO -0.09 0.05 0.55 -0.76 -1.32 0.00 0.00 176.35 174.79 2ubp s LEU 71 N 0.98 4.41 0.17 -0.68 1.02 -0.36 -1.20 118.68 123.03 2ubp s LEU 71 Ca -0.02 -0.12 -0.20 0.00 0.02 0.00 0.00 54.13 53.80 2ubp s LEU 71 Cb -0.15 -2.63 -0.08 0.00 0.02 0.00 0.00 46.19 43.36 2ubp s LEU 71 CO -0.04 -0.57 0.67 0.42 0.02 0.00 0.00 176.35 176.86 2ubp s THR 72 N 2.51 4.61 -1.36 5.49 -4.23 -0.18 -1.07 115.64 121.40 2ubp s THR 72 Ca 0.20 1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 61.91 2ubp s THR 72 Cb -0.15 -3.90 0.02 0.00 1.34 0.00 0.00 72.50 69.81 2ubp s THR 72 CO 0.15 0.35 1.08 0.59 -0.54 0.00 0.00 174.62 176.25 2ubp n ASN 73 N 1.11 -4.91 -4.76 3.99 3.02 -1.25 -0.69 115.26 111.77 2ubp n ASN 73 Ca -0.05 -0.62 -0.40 0.00 -0.03 0.00 0.00 54.58 53.48 2ubp n ASN 73 Cb 0.51 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 34.85 2ubp n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ubp s ALA 74 N -3.35 3.33 -0.55 5.41 0.00 0.39 -3.18 121.76 123.80 2ubp s ALA 74 Ca 0.45 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 2ubp s ALA 74 Cb -0.21 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 19.77 2ubp s ALA 74 CO 0.75 0.12 0.63 -1.17 0.00 0.00 0.00 175.76 176.10 2ubp s LEU 75 N -1.40 5.38 -0.11 0.00 2.96 -1.09 -1.61 118.68 122.81 2ubp s LEU 75 Ca 0.44 -1.32 -0.26 0.00 -0.22 0.00 0.00 54.13 52.77 2ubp s LEU 75 Cb -0.26 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2ubp s LEU 75 CO 0.32 -0.98 0.83 -0.63 -1.32 0.00 0.00 176.35 174.57 2ubp s ILE 76 N 2.46 4.92 -0.25 6.68 1.01 0.73 -0.48 121.20 136.27 2ubp s ILE 76 Ca 0.11 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.45 2ubp s ILE 76 Cb -0.23 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.12 2ubp s ILE 76 CO 0.07 0.11 -0.11 -0.22 0.00 0.00 0.00 174.94 174.79 2ubp s LEU 77 N 1.59 3.18 0.19 2.97 0.20 -0.69 -1.72 118.68 124.40 2ubp s LEU 77 Ca 0.41 -1.12 -0.16 0.00 0.69 0.00 0.00 54.13 53.94 2ubp s LEU 77 Cb -0.18 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2ubp s LEU 77 CO 0.17 -0.15 0.49 -0.62 -0.29 0.00 0.00 176.35 175.95 2ubp s ASP 78 N 1.20 -0.22 0.40 3.68 2.15 -0.86 -4.48 116.67 118.54 2ubp s ASP 78 Ca -0.04 -0.54 0.07 0.00 0.43 0.00 0.00 52.55 52.47 2ubp s ASP 78 Cb -0.18 0.56 0.82 0.00 -0.30 0.00 0.00 42.92 43.82 2ubp s ASP 78 CO -0.06 -1.04 2.03 0.10 -0.17 0.00 0.00 175.17 176.03 2ubp h TYR 79 N 2.24 0.50 0.00 -5.34 -0.00 -1.91 -1.30 116.97 111.16 2ubp h TYR 79 Ca -0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2ubp h TYR 79 Cb 1.26 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 2ubp h TYR 79 CO 0.36 0.36 0.00 0.25 -0.00 0.00 0.00 178.16 179.13 2ubp n THR 80 N -4.44 0.44 0.00 -0.90 -2.24 -1.26 -4.99 114.28 100.90 2ubp n THR 80 Ca 0.03 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2ubp n THR 80 Cb 0.10 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2ubp n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ubp n GLY 81 N 0.87 2.09 2.97 3.38 0.00 -0.49 -5.07 105.19 108.94 2ubp n GLY 81 Ca 0.05 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 2ubp n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ubp s ILE 82 N -1.97 2.08 0.20 -0.61 1.01 -1.26 -2.03 121.20 118.63 2ubp s ILE 82 Ca 0.00 -2.24 -0.18 0.00 0.00 0.00 0.00 60.65 58.23 2ubp s ILE 82 Cb 0.00 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.96 2ubp s ILE 82 CO 0.00 -0.62 0.55 -0.72 0.00 0.00 0.00 174.94 174.15 2ubp s TYR 83 N 0.96 -0.13 -0.18 3.97 1.13 -0.70 -0.81 117.35 121.60 2ubp s TYR 83 Ca 0.11 -0.21 -0.08 0.00 -1.41 0.00 0.00 57.07 55.48 2ubp s TYR 83 Cb -0.19 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2ubp s TYR 83 CO -0.10 -0.95 0.09 0.21 -2.51 0.00 0.00 175.55 172.28 2ubp s LYS 84 N -3.88 3.95 0.06 -3.49 2.47 -0.36 -0.19 119.74 118.30 2ubp s LYS 84 Ca 0.09 -0.29 -0.27 0.00 -1.56 0.00 0.00 55.97 53.95 2ubp s LYS 84 Cb -0.02 -3.26 0.09 0.00 -1.46 0.00 0.00 37.83 33.19 2ubp s LYS 84 CO -0.02 0.35 0.78 0.00 0.16 0.00 0.00 175.35 176.62 2ubp s ALA 85 N 0.18 -1.74 0.35 3.13 0.00 -0.63 -1.65 121.76 121.39 2ubp s ALA 85 Ca 0.06 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 2ubp s ALA 85 Cb -0.12 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.50 2ubp s ALA 85 CO -0.00 -0.72 0.87 -0.51 0.00 0.00 0.00 175.76 175.39 2ubp s ASP 86 N -2.59 7.02 -0.16 0.00 1.01 -0.20 -0.46 116.67 121.30 2ubp s ASP 86 Ca 0.04 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.91 2ubp s ASP 86 Cb -0.01 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2ubp s ASP 86 CO -0.10 -0.19 -0.19 -0.63 0.21 0.00 0.00 175.17 174.26 2ubp s ILE 87 N -1.89 1.95 -0.13 0.77 1.01 -0.24 -1.02 121.20 121.65 2ubp s ILE 87 Ca 0.54 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2ubp s ILE 87 Cb -0.13 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2ubp s ILE 87 CO 0.18 0.52 -0.04 -0.83 0.00 0.00 0.00 174.94 174.77 2ubp s GLY 88 N 1.14 1.72 0.00 6.18 0.00 0.24 -1.22 107.32 115.38 2ubp s GLY 88 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.96 2ubp s GLY 88 CO -0.08 -0.24 -0.23 0.14 0.00 0.00 0.00 173.10 172.70 2ubp s VAL 89 N 0.01 2.38 -0.22 1.40 1.01 0.27 -0.58 120.40 124.67 2ubp s VAL 89 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 2ubp s VAL 89 Cb -0.13 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2ubp s VAL 89 CO 0.03 0.49 0.58 -0.75 0.00 0.00 0.00 175.10 175.44 2ubp s LYS 90 N -0.92 0.64 -1.28 2.72 2.20 -0.46 -1.44 119.74 121.20 2ubp s LYS 90 Ca 0.11 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 2ubp s LYS 90 Cb -0.10 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2ubp s LYS 90 CO 0.01 -0.10 0.00 -0.25 -0.36 0.00 0.00 175.35 174.65 2ubp n ASP 91 N 3.25 -4.43 0.00 1.43 8.00 -1.26 -1.73 116.55 121.81 2ubp n ASP 91 Ca -0.16 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2ubp n ASP 91 Cb 0.56 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 2ubp n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ubp n GLY 92 N -0.83 1.52 3.62 0.44 0.00 -1.26 -5.02 105.19 103.66 2ubp n GLY 92 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2ubp n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ubp s TYR 93 N -3.02 2.75 -0.32 1.61 1.51 -0.71 -1.17 117.35 118.01 2ubp s TYR 93 Ca 0.00 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 2ubp s TYR 93 Cb 0.00 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2ubp s TYR 93 CO 0.00 0.51 1.48 0.42 -1.11 0.00 0.00 175.55 176.85 2ubp s ILE 94 N -1.67 3.86 -0.31 2.71 1.01 0.58 -1.36 121.20 126.01 2ubp s ILE 94 Ca 0.26 0.93 0.17 0.00 0.00 0.00 0.00 60.65 62.01 2ubp s ILE 94 Cb -0.09 -3.99 -0.24 0.00 0.01 0.00 0.00 42.46 38.14 2ubp s ILE 94 CO 0.17 -0.52 0.51 1.33 0.00 0.00 0.00 174.94 176.43 2ubp n VAL 95 N 6.72 0.00 -3.67 2.92 0.24 0.26 0.30 118.33 125.10 2ubp n VAL 95 Ca 0.17 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 2ubp n VAL 95 Cb 0.47 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 33.18 2ubp n VAL 95 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ubp s GLY 96 N -3.51 -0.49 -0.24 7.63 0.00 -1.00 -4.76 107.32 104.95 2ubp s GLY 96 Ca -0.02 1.98 0.02 0.00 0.00 0.00 0.00 44.72 46.70 2ubp s GLY 96 CO 0.72 2.02 -0.13 -0.42 0.00 0.00 0.00 173.10 175.29 2ubp s ILE 97 N 1.44 2.24 0.00 0.90 1.01 -1.26 0.83 121.20 126.36 2ubp s ILE 97 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.19 2ubp s ILE 97 Cb -0.06 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2ubp s ILE 97 CO -0.15 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2ubp n GLY 98 N 4.51 -0.26 2.86 6.18 0.00 -0.19 -4.98 105.19 113.31 2ubp n GLY 98 Ca -0.16 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 2ubp n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ubp s LYS 99 N 0.00 1.21 0.25 1.61 2.36 -1.26 -1.03 119.74 122.87 2ubp s LYS 99 Ca 0.00 -0.13 0.07 0.00 -2.55 0.00 0.00 55.97 53.36 2ubp s LYS 99 Cb 0.00 -1.36 -0.04 0.00 -1.05 0.00 0.00 37.83 35.38 2ubp s LYS 99 CO 0.00 -0.27 0.20 0.20 1.55 0.00 0.00 175.35 177.03 2ubp s GLY 100 N 1.77 1.41 0.00 5.54 0.00 -1.26 -0.31 107.32 114.47 2ubp s GLY 100 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2ubp s GLY 100 CO -0.07 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.20 2ubp n GLY 101 N -1.16 0.22 2.93 0.20 0.00 -0.84 -4.62 105.19 101.91 2ubp n GLY 101 Ca -0.08 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 2ubp n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ubp s ASN 102 N -4.00 2.05 0.47 1.61 2.47 -1.07 -1.17 114.94 115.31 2ubp s ASN 102 Ca 0.00 -0.30 0.31 0.00 0.42 0.00 0.00 52.86 53.29 2ubp s ASN 102 Cb 0.00 -0.83 1.25 0.00 -1.45 0.00 0.00 41.25 40.23 2ubp s ASN 102 CO 0.00 -0.08 1.91 -0.65 -3.72 0.00 0.00 177.10 174.56 2ubp h PRO 103 N 7.87 0.00 -0.48 0.43 0.10 -1.92 -1.76 132.00 136.24 2ubp h PRO 103 Ca -0.30 0.00 0.10 0.00 0.10 0.00 0.00 66.00 65.89 2ubp h PRO 103 Cb 1.14 0.00 -0.10 0.00 0.10 0.00 0.00 31.00 32.15 2ubp h PRO 103 CO 0.43 0.00 -0.17 -0.44 0.10 0.00 0.00 178.00 177.92 2ubp h ASP 104 N 0.00 -0.60 0.00 -2.05 3.32 -1.94 -3.36 116.42 111.78 2ubp h ASP 104 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2ubp h ASP 104 Cb 0.48 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2ubp h ASP 104 CO 0.00 -0.21 0.00 2.30 -1.72 0.00 0.00 179.24 179.61 2ubp n ILE 105 N -5.38 0.00 -4.32 0.35 -5.35 -1.05 -5.07 119.36 98.54 2ubp n ILE 105 Ca 0.04 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 62.01 2ubp n ILE 105 Cb 0.29 1.32 -0.10 0.00 -1.74 0.00 0.00 39.64 39.41 2ubp n ILE 105 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2ubp s MET 106 N -0.19 2.46 0.35 6.28 -1.94 -0.69 -5.09 119.30 120.48 2ubp s MET 106 Ca 0.00 -0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 2ubp s MET 106 Cb 0.00 -2.47 -0.07 0.00 2.01 0.00 0.00 34.83 34.29 2ubp s MET 106 CO 0.00 0.57 0.73 -0.51 -0.01 0.00 0.00 175.02 175.79 2ubp s ASP 107 N -1.81 6.62 -0.80 3.03 1.01 -1.26 -4.45 116.67 119.01 2ubp s ASP 107 Ca 0.20 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.61 2ubp s ASP 107 Cb -0.11 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2ubp s ASP 107 CO 0.12 -0.29 0.00 0.61 0.21 0.00 0.00 175.17 175.82 2ubp n GLY 108 N -0.82 0.28 3.66 0.21 0.00 -1.26 -4.77 105.19 102.50 2ubp n GLY 108 Ca 0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2ubp n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ubp s VAL 109 N -2.41 4.89 0.21 1.61 1.01 -1.26 -4.55 120.40 119.89 2ubp s VAL 109 Ca 0.00 1.57 -0.32 0.00 0.00 0.00 0.00 61.98 63.23 2ubp s VAL 109 Cb 0.00 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 2ubp s VAL 109 CO 0.00 0.02 1.73 -0.89 0.00 0.00 0.00 175.10 175.96 2ubp s THR 110 N 2.26 2.03 0.46 3.92 2.01 0.58 -4.86 115.64 122.04 2ubp s THR 110 Ca 0.37 0.01 0.17 0.00 0.31 0.00 0.00 61.69 62.55 2ubp s THR 110 Cb -0.16 -3.01 0.35 0.00 0.01 0.00 0.00 72.50 69.69 2ubp s THR 110 CO 0.11 0.00 1.97 -0.65 -0.69 0.00 0.00 174.62 175.36 2ubp h PRO 111 N 6.88 0.29 -0.58 4.92 0.11 -1.94 -1.48 132.00 140.19 2ubp h PRO 111 Ca -0.43 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2ubp h PRO 111 Cb 1.20 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2ubp h PRO 111 CO 0.96 0.19 0.11 0.27 -0.21 0.00 0.00 178.00 179.32 2ubp n ASN 112 N -4.45 4.88 -2.19 -2.05 6.94 -1.26 -4.43 115.26 112.70 2ubp n ASN 112 Ca 0.11 -3.12 -0.26 0.00 -0.02 0.00 0.00 54.58 51.29 2ubp n ASN 112 Cb 0.47 -0.69 0.02 0.00 -2.36 0.00 0.00 39.78 37.22 2ubp n ASN 112 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2ubp n MET 113 N -0.00 3.52 -2.65 -3.83 2.81 -0.56 -4.59 117.12 111.81 2ubp n MET 113 Ca 0.33 -4.24 -0.42 0.00 -1.81 0.00 0.00 57.70 51.56 2ubp n MET 113 Cb 1.22 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2ubp n MET 113 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2ubp s ILE 114 N -4.91 4.68 -0.30 2.02 1.01 -0.83 -1.99 121.20 120.89 2ubp s ILE 114 Ca 0.51 1.93 -0.26 0.00 0.00 0.00 0.00 60.65 62.83 2ubp s ILE 114 Cb 0.41 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2ubp s ILE 114 CO -0.04 0.16 0.93 -0.69 0.00 0.00 0.00 174.94 175.30 2ubp s VAL 115 N 0.99 4.68 0.00 2.92 1.01 -0.31 -1.32 120.40 128.36 2ubp s VAL 115 Ca 0.53 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2ubp s VAL 115 Cb -0.23 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2ubp s VAL 115 CO 0.28 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2ubp n GLY 116 N 3.93 5.64 0.23 4.51 0.00 -1.26 -0.38 105.19 117.85 2ubp n GLY 116 Ca 0.08 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.23 2ubp n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ubp h THR 117 N 0.46 1.18 0.00 2.61 2.02 -1.80 -2.48 112.91 114.90 2ubp h THR 117 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2ubp h THR 117 Cb 0.00 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2ubp h THR 117 CO 0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 2ubp n ALA 118 N -2.49 2.28 -2.71 6.16 0.00 -1.26 -4.88 120.51 117.60 2ubp n ALA 118 Ca -0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 2ubp n ALA 118 Cb 0.28 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 2ubp n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ubp s THR 119 N -2.56 5.23 0.22 0.00 2.01 -0.93 -4.49 115.64 115.11 2ubp s THR 119 Ca 0.24 0.74 -0.06 0.00 0.31 0.00 0.00 61.69 62.92 2ubp s THR 119 Cb 0.17 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 2ubp s THR 119 CO 0.38 0.33 0.49 -0.70 -0.69 0.00 0.00 174.62 174.43 2ubp s GLU 120 N 0.76 3.68 -0.06 4.92 2.56 0.06 -4.87 118.70 125.75 2ubp s GLU 120 Ca 0.21 0.05 0.04 0.00 0.00 0.00 0.00 54.97 55.26 2ubp s GLU 120 Cb -0.14 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.27 2ubp s GLU 120 CO 0.07 0.33 -0.17 0.08 -0.56 0.00 0.00 175.26 175.02 2ubp s VAL 121 N -1.86 1.45 -0.19 3.70 1.01 -1.26 -1.19 120.40 122.07 2ubp s VAL 121 Ca 0.44 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2ubp s VAL 121 Cb -0.11 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2ubp s VAL 121 CO 0.25 0.42 -0.14 -0.63 0.00 0.00 0.00 175.10 175.01 2ubp s ILE 122 N 0.28 2.61 -0.43 2.22 1.01 -0.34 -4.97 121.20 121.58 2ubp s ILE 122 Ca -0.10 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 2ubp s ILE 122 Cb -0.14 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.22 2ubp s ILE 122 CO 0.04 0.50 1.19 0.00 0.00 0.00 0.00 174.94 176.66 2ubp s ALA 123 N 1.26 3.20 -2.32 9.38 0.00 -1.26 -1.01 121.76 131.01 2ubp s ALA 123 Ca 0.03 -0.32 0.21 0.00 0.00 0.00 0.00 51.96 51.88 2ubp s ALA 123 Cb -0.14 -3.86 0.32 0.00 0.00 0.00 0.00 23.12 19.44 2ubp s ALA 123 CO -0.07 -2.13 1.29 0.00 0.00 0.00 0.00 175.76 174.84 2ubp n ALA 124 N 7.85 2.42 -1.68 0.00 0.00 0.13 -4.88 120.51 124.34 2ubp n ALA 124 Ca 0.13 -0.89 -0.45 0.00 0.00 0.00 0.00 53.44 52.23 2ubp n ALA 124 Cb 0.48 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 2ubp n ALA 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ubp n GLU 125 N 1.28 2.41 -0.68 0.00 0.00 -0.98 -1.07 120.64 121.59 2ubp n GLU 125 Ca 0.16 0.87 0.00 0.00 0.00 0.00 0.00 57.16 58.19 2ubp n GLU 125 Cb 0.55 -2.71 0.00 0.00 0.00 0.00 0.00 31.44 29.29 2ubp n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ubp n GLY 126 N 3.92 0.80 3.73 -1.84 0.00 -1.26 -4.78 105.19 105.77 2ubp n GLY 126 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2ubp n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ubp s LYS 127 N -0.32 2.65 -0.22 1.61 -0.14 -0.23 -4.40 119.74 118.68 2ubp s LYS 127 Ca 0.00 -1.03 -0.11 0.00 -1.36 0.00 0.00 55.97 53.47 2ubp s LYS 127 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 2ubp s LYS 127 CO 0.00 0.45 0.18 0.42 -0.76 0.00 0.00 175.35 175.64 2ubp s ILE 128 N -1.83 5.36 -0.18 2.17 1.01 -0.20 -2.66 121.20 124.87 2ubp s ILE 128 Ca 0.30 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 2ubp s ILE 128 Cb -0.09 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2ubp s ILE 128 CO 0.21 0.37 -0.05 -0.69 0.00 0.00 0.00 174.94 174.78 2ubp s VAL 129 N 0.86 3.61 0.25 2.92 1.01 0.37 -0.74 120.40 128.68 2ubp s VAL 129 Ca 0.09 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2ubp s VAL 129 Cb -0.13 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2ubp s VAL 129 CO 0.03 0.47 -0.08 0.42 0.00 0.00 0.00 175.10 175.94 2ubp s THR 130 N 0.78 1.63 0.80 3.92 -4.23 -0.53 -1.70 115.64 116.30 2ubp s THR 130 Ca -0.02 -2.14 -0.14 0.00 -1.18 0.00 0.00 61.69 58.21 2ubp s THR 130 Cb -0.15 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2ubp s THR 130 CO 0.02 -0.39 1.14 0.00 -0.54 0.00 0.00 174.62 174.86 2ubp n ALA 131 N -0.51 -0.12 -1.77 3.99 0.00 -1.26 -0.47 120.51 120.37 2ubp n ALA 131 Ca -0.06 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 2ubp n ALA 131 Cb 0.63 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 2ubp n ALA 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ubp s GLY 132 N -2.03 2.91 0.44 0.00 0.00 -1.08 -4.55 107.32 103.01 2ubp s GLY 132 Ca 0.73 1.09 -0.24 0.00 0.00 0.00 0.00 44.72 46.30 2ubp s GLY 132 CO 0.51 1.64 1.18 -0.32 0.00 0.00 0.00 173.10 176.11 2ubp s GLY 133 N -0.93 2.82 -0.35 0.20 0.00 0.06 -4.64 107.32 104.48 2ubp s GLY 133 Ca 0.56 0.98 -0.03 0.00 0.00 0.00 0.00 44.72 46.23 2ubp s GLY 133 CO 0.44 1.46 0.10 -0.42 0.00 0.00 0.00 173.10 174.67 2ubp s ILE 134 N -1.48 3.23 -0.37 0.90 -1.09 0.49 -1.15 121.20 121.73 2ubp s ILE 134 Ca 0.62 -1.60 -0.14 0.00 -2.23 0.00 0.00 60.65 57.29 2ubp s ILE 134 Cb -0.30 -2.99 -0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2ubp s ILE 134 CO 0.37 -0.34 0.30 -0.62 -1.23 0.00 0.00 174.94 173.41 2ubp s ASP 135 N 1.49 6.11 0.00 3.58 -1.08 -0.52 -4.74 116.67 121.51 2ubp s ASP 135 Ca 0.01 -0.56 0.16 0.00 -0.52 0.00 0.00 52.55 51.64 2ubp s ASP 135 Cb -0.21 -2.16 0.41 0.00 -1.46 0.00 0.00 42.92 39.50 2ubp s ASP 135 CO -0.02 -0.35 1.33 0.35 0.52 0.00 0.00 175.17 177.01 2ubp n THR 136 N 5.17 0.87 -3.37 1.71 -2.24 -1.26 -0.10 114.28 115.07 2ubp n THR 136 Ca -0.11 -0.94 -0.26 0.00 -2.27 0.00 0.00 64.05 60.47 2ubp n THR 136 Cb 0.49 0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 2ubp n THR 136 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2ubp n HIS 137 N 0.99 2.39 -4.51 4.78 -0.00 -1.19 -4.52 115.22 113.15 2ubp n HIS 137 Ca 0.16 -3.97 -0.34 0.00 -0.00 0.00 0.00 57.72 53.57 2ubp n HIS 137 Cb 0.50 -0.49 -0.12 0.00 -0.00 0.00 0.00 29.99 29.88 2ubp n HIS 137 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2ubp s VAL 138 N -2.03 3.69 -0.25 3.57 1.01 -0.44 -1.01 120.40 124.94 2ubp s VAL 138 Ca 0.38 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2ubp s VAL 138 Cb 0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2ubp s VAL 138 CO -0.05 0.52 0.30 -1.00 0.00 0.00 0.00 175.10 174.87 2ubp s HIS 139 N 0.19 3.29 -1.01 5.22 3.76 -1.22 -1.25 115.29 124.26 2ubp s HIS 139 Ca -0.03 0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 55.05 2ubp s HIS 139 Cb -0.14 -2.46 0.10 0.00 1.11 0.00 0.00 32.58 31.19 2ubp s HIS 139 CO 0.03 -0.10 1.31 -0.06 -0.85 0.00 0.00 174.74 175.07 2ubp s PHE 140 N 1.63 2.91 -0.10 1.40 0.08 0.11 -4.65 117.98 119.35 2ubp s PHE 140 Ca 0.13 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.92 2ubp s PHE 140 Cb -0.15 -4.47 -0.07 0.00 -0.57 0.00 0.00 43.02 37.77 2ubp s PHE 140 CO 0.08 -1.67 -0.09 -0.89 -0.10 0.00 0.00 175.22 172.55 2ubp n ILE 141 N 5.99 0.59 -3.67 0.64 5.41 -1.26 -1.20 119.36 125.86 2ubp n ILE 141 Ca 0.30 -0.22 -0.15 0.00 1.00 0.00 0.00 62.75 63.68 2ubp n ILE 141 Cb 0.49 -0.91 -0.14 0.00 -0.71 0.00 0.00 39.64 38.37 2ubp n ILE 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2ubp s ASN 142 N -5.05 0.54 0.62 4.38 3.84 -1.26 -3.03 114.94 114.98 2ubp s ASN 142 Ca -0.14 0.45 0.32 0.00 0.21 0.00 0.00 52.86 53.71 2ubp s ASN 142 Cb 0.04 0.46 1.82 0.00 -0.55 0.00 0.00 41.25 43.02 2ubp s ASN 142 CO 0.23 -0.24 2.13 -0.65 -2.79 0.00 0.00 177.10 175.78 2ubp h PRO 143 N 8.29 0.00 0.00 0.43 0.11 -1.98 0.70 132.00 139.54 2ubp h PRO 143 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2ubp h PRO 143 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ubp h PRO 143 CO 0.15 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.69 2ubp n ASP 144 N -3.48 0.12 0.25 -2.05 8.00 -1.26 -2.25 116.55 115.88 2ubp n ASP 144 Ca -0.00 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.18 2ubp n ASP 144 Cb 0.28 -0.56 0.60 0.00 -0.02 0.00 0.00 41.12 41.41 2ubp n ASP 144 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2ubp h GLN 145 N 0.00 0.00 -0.19 -1.24 3.07 -1.29 -3.29 115.11 112.18 2ubp h GLN 145 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 2ubp h GLN 145 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.68 2ubp h GLN 145 CO 0.00 0.11 -0.09 0.28 0.09 0.00 0.00 178.83 179.22 2ubp h VAL 146 N 0.00 1.31 -0.27 1.86 2.07 -1.67 -1.86 116.25 117.69 2ubp h VAL 146 Ca -0.00 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 2ubp h VAL 146 Cb 0.59 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2ubp h VAL 146 CO 0.01 0.34 -0.11 0.44 0.02 0.00 0.00 177.57 178.28 2ubp h ASP 147 N 0.08 0.43 -0.32 0.57 3.32 -1.79 -0.93 116.42 117.78 2ubp h ASP 147 Ca 0.04 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.01 2ubp h ASP 147 Cb 0.57 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 2ubp h ASP 147 CO 0.03 0.58 0.15 0.58 -1.72 0.00 0.00 179.24 178.86 2ubp h VAL 148 N 0.42 0.98 -0.57 -1.35 2.07 -1.61 -1.18 116.25 115.00 2ubp h VAL 148 Ca 0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2ubp h VAL 148 Cb 0.45 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2ubp h VAL 148 CO 0.02 0.06 0.24 0.00 0.02 0.00 0.00 177.57 177.91 2ubp h ALA 149 N 1.17 0.75 -0.64 1.67 0.00 -0.87 -3.20 119.26 118.13 2ubp h ALA 149 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2ubp h ALA 149 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2ubp h ALA 149 CO -0.10 0.35 0.18 -0.07 0.00 0.00 0.00 179.25 179.61 2ubp h LEU 150 N 0.79 0.93 -2.05 0.00 3.38 -0.94 -1.85 115.31 115.56 2ubp h LEU 150 Ca 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ubp h LEU 150 Cb 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2ubp h LEU 150 CO -0.02 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.36 2ubp h ALA 151 N 1.24 1.06 -0.49 1.53 0.00 -1.22 -1.83 119.26 119.56 2ubp h ALA 151 Ca 0.21 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 2ubp h ALA 151 Cb 0.30 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 2ubp h ALA 151 CO -0.00 0.04 0.09 -1.71 0.00 0.00 0.00 179.25 177.67 2ubp n ASN 152 N -3.22 2.95 -0.68 0.00 4.05 -0.88 -1.47 115.26 116.01 2ubp n ASN 152 Ca -0.01 -3.65 -0.06 0.00 0.45 0.00 0.00 54.58 51.30 2ubp n ASN 152 Cb 0.22 -0.67 -0.01 0.00 1.23 0.00 0.00 39.78 40.55 2ubp n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ubp n GLY 153 N -1.03 0.25 3.73 8.20 0.00 -0.69 -4.61 105.19 111.05 2ubp n GLY 153 Ca 0.38 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2ubp n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ubp s ILE 154 N -2.30 5.34 0.00 -0.61 1.01 -0.75 -0.76 121.20 123.13 2ubp s ILE 154 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2ubp s ILE 154 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2ubp s ILE 154 CO 0.00 0.41 0.25 0.35 0.00 0.00 0.00 174.94 175.96 2ubp n THR 155 N 3.48 0.00 -3.84 2.92 -2.24 -0.30 -3.92 114.28 110.38 2ubp n THR 155 Ca -0.13 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.06 2ubp n THR 155 Cb 0.52 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 2ubp n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ubp s THR 156 N -0.33 0.09 -0.24 4.28 2.01 -0.97 -1.38 115.64 119.11 2ubp s THR 156 Ca 0.00 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2ubp s THR 156 Cb 0.00 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.31 2ubp s THR 156 CO 0.00 0.15 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.23 2ubp s LEU 157 N 1.27 3.03 -0.15 4.42 1.43 0.54 -1.44 118.68 127.79 2ubp s LEU 157 Ca -0.06 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2ubp s LEU 157 Cb -0.13 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2ubp s LEU 157 CO -0.02 -0.11 -0.11 -0.36 0.23 0.00 0.00 176.35 175.98 2ubp s PHE 158 N 1.31 2.86 -1.56 0.29 0.40 0.85 -1.70 117.98 120.43 2ubp s PHE 158 Ca 0.00 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 2ubp s PHE 158 Cb -0.16 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.46 2ubp s PHE 158 CO -0.06 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2ubp n GLY 159 N 3.82 -0.72 3.78 4.36 0.00 -0.84 -1.33 105.19 114.26 2ubp n GLY 159 Ca -0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 2ubp n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ubp s GLY 160 N 0.00 -0.20 0.00 -0.02 0.00 -0.38 -0.14 107.32 106.58 2ubp s GLY 160 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2ubp s GLY 160 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.69 2ubp n GLY 161 N -0.46 4.25 0.01 0.20 0.00 -0.97 -0.72 105.19 107.51 2ubp n GLY 161 Ca -0.06 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.58 2ubp n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ubp n THR 162 N -1.86 1.01 0.00 2.61 -2.24 -1.21 -4.68 114.28 107.92 2ubp n THR 162 Ca 0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2ubp n THR 162 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2ubp n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ubp n GLY 163 N -0.56 -0.37 2.22 3.38 0.00 -0.34 -4.80 105.19 104.72 2ubp n GLY 163 Ca 0.02 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 2ubp n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ubp n PRO 164 N 0.00 2.16 -3.33 1.61 -0.04 -1.17 -4.45 135.00 129.79 2ubp n PRO 164 Ca 0.00 -1.65 -0.33 0.00 -0.04 0.00 0.00 63.50 61.47 2ubp n PRO 164 Cb 0.00 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 2ubp n PRO 164 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ubp s ALA 165 N -0.47 3.51 0.52 0.55 0.00 -1.26 -4.91 121.76 119.69 2ubp s ALA 165 Ca 0.60 -0.15 0.16 0.00 0.00 0.00 0.00 51.96 52.57 2ubp s ALA 165 Cb 0.34 -2.55 1.26 0.00 0.00 0.00 0.00 23.12 22.17 2ubp s ALA 165 CO -0.11 0.45 2.14 0.93 0.00 0.00 0.00 175.76 179.17 2ubp h GLU 166 N 2.79 0.00 -0.38 0.00 3.07 -1.98 0.13 114.58 118.22 2ubp h GLU 166 Ca -0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2ubp h GLU 166 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2ubp h GLU 166 CO 0.67 0.01 0.18 0.78 -1.40 0.00 0.00 179.01 179.25 2ubp h GLY 167 N 0.02 0.59 2.00 -3.84 0.00 -1.94 -1.89 103.07 98.01 2ubp h GLY 167 Ca -0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2ubp h GLY 167 CO 0.00 0.28 -0.64 1.76 0.00 0.00 0.00 176.54 177.94 2ubp h SER 168 N 0.47 0.00 0.98 0.19 0.02 -1.46 -0.72 113.55 113.03 2ubp h SER 168 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2ubp h SER 168 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2ubp h SER 168 CO -0.02 0.64 -0.25 0.11 -1.14 0.00 0.00 176.83 176.17 2ubp h LYS 169 N 0.00 0.00 0.00 3.45 1.57 -0.37 -3.20 116.57 118.03 2ubp h LYS 169 Ca -0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 2ubp h LYS 169 Cb 1.45 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.70 2ubp h LYS 169 CO 0.08 0.25 -2.37 0.00 -0.57 0.00 0.00 179.45 176.85 2ubp n ALA 170 N -2.23 1.47 -2.93 3.86 0.00 -0.75 -4.53 120.51 115.41 2ubp n ALA 170 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.07 2ubp n ALA 170 Cb 0.46 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 2ubp n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ubp s THR 171 N -2.50 0.12 -1.49 0.00 -4.23 -0.28 -5.03 115.64 102.22 2ubp s THR 171 Ca -0.16 -0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 2ubp s THR 171 Cb 0.07 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.81 2ubp s THR 171 CO 0.77 0.04 2.36 0.35 -0.54 0.00 0.00 174.62 177.60 2ubp n THR 172 N 3.16 3.59 -4.17 3.99 -2.24 -1.26 -4.20 114.28 113.15 2ubp n THR 172 Ca -0.14 -2.93 -0.22 0.00 -2.27 0.00 0.00 64.05 58.49 2ubp n THR 172 Cb 0.58 -2.61 -0.17 0.00 -2.10 0.00 0.00 70.33 66.04 2ubp n THR 172 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ubp s VAL 173 N 3.03 0.69 -0.40 2.28 1.01 -1.25 -3.67 120.40 122.09 2ubp s VAL 173 Ca 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2ubp s VAL 173 Cb 0.15 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.92 2ubp s VAL 173 CO -0.08 0.27 0.19 -0.89 0.00 0.00 0.00 175.10 174.59 2ubp s THR 174 N 1.09 3.35 -0.11 3.92 2.01 0.17 -2.30 115.64 123.77 2ubp s THR 174 Ca -0.08 -1.92 -0.28 0.00 0.31 0.00 0.00 61.69 59.71 2ubp s THR 174 Cb -0.14 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 2ubp s THR 174 CO -0.01 -0.61 0.95 -2.16 -0.69 0.00 0.00 174.62 172.10 2ubp s PRO 175 N 1.18 4.40 0.00 4.92 0.04 -1.26 -4.13 135.00 140.15 2ubp s PRO 175 Ca 0.06 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2ubp s PRO 175 Cb -0.23 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2ubp s PRO 175 CO -0.03 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2ubp n GLY 176 N 3.16 -1.93 0.22 0.56 0.00 -1.26 -3.88 105.19 102.06 2ubp n GLY 176 Ca 0.07 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 2ubp n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ubp h PRO 177 N 0.00 0.38 -0.05 1.61 0.11 -1.90 -1.71 132.00 130.45 2ubp h PRO 177 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2ubp h PRO 177 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2ubp h PRO 177 CO 0.00 0.25 -0.10 2.35 -0.21 0.00 0.00 178.00 180.30 2ubp h TRP 178 N 0.40 0.18 -0.91 0.65 7.01 -1.98 -1.75 115.95 119.56 2ubp h TRP 178 Ca 0.27 -0.07 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2ubp h TRP 178 Cb 0.30 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.27 2ubp h TRP 178 CO -0.16 0.69 0.58 -0.91 -2.79 0.00 0.00 178.44 175.85 2ubp h ASN 179 N -0.37 0.95 -0.41 2.65 2.35 -1.65 -1.30 115.58 117.80 2ubp h ASN 179 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ubp h ASN 179 Cb 0.68 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2ubp h ASN 179 CO 0.02 0.63 0.24 0.40 -1.65 0.00 0.00 177.43 177.07 2ubp h ILE 180 N 1.10 1.14 -0.66 2.81 2.04 -1.27 -1.30 117.51 121.37 2ubp h ILE 180 Ca 0.38 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2ubp h ILE 180 Cb 0.08 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2ubp h ILE 180 CO -0.14 0.14 0.31 -0.33 0.00 0.00 0.00 178.15 178.13 2ubp h GLU 181 N 0.54 0.95 -0.35 2.37 5.08 -0.63 -0.38 114.58 122.15 2ubp h GLU 181 Ca 0.15 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ubp h GLU 181 Cb 0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2ubp h GLU 181 CO -0.03 0.76 0.20 0.87 -1.00 0.00 0.00 179.01 179.81 2ubp h LYS 182 N 0.91 0.48 0.00 2.33 1.79 -1.13 -1.96 116.57 118.98 2ubp h LYS 182 Ca 0.23 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.57 2ubp h LYS 182 Cb 0.12 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2ubp h LYS 182 CO -0.03 0.37 -0.38 0.52 -1.08 0.00 0.00 179.45 178.86 2ubp h MET 183 N 0.45 0.00 -0.74 3.15 2.86 -0.95 -0.01 114.93 119.68 2ubp h MET 183 Ca 0.12 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2ubp h MET 183 Cb 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2ubp h MET 183 CO -0.02 0.38 0.23 -0.07 1.06 0.00 0.00 176.91 178.48 2ubp h LEU 184 N 0.00 1.08 -0.62 1.22 3.38 -0.80 -0.99 115.31 118.58 2ubp h LEU 184 Ca -0.00 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2ubp h LEU 184 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2ubp h LEU 184 CO 0.05 1.01 0.00 0.11 0.09 0.00 0.00 178.44 179.70 2ubp h LYS 185 N 1.10 1.09 -0.75 1.13 1.57 -0.93 -2.97 116.57 116.81 2ubp h LYS 185 Ca 0.24 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ubp h LYS 185 Cb 0.32 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2ubp h LYS 185 CO -0.01 1.06 0.44 1.03 -0.57 0.00 0.00 179.45 181.40 2ubp h SER 186 N 0.99 0.91 -0.21 0.86 0.87 -0.85 -2.76 113.55 113.35 2ubp h SER 186 Ca 0.17 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 2ubp h SER 186 Cb 0.56 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2ubp h SER 186 CO 0.03 0.71 0.20 0.74 -0.53 0.00 0.00 176.83 177.99 2ubp h THR 187 N 1.02 0.58 -0.32 2.23 2.02 -1.02 -1.04 112.91 116.38 2ubp h THR 187 Ca 0.27 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.54 2ubp h THR 187 Cb -0.02 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2ubp h THR 187 CO -0.05 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.86 2ubp h GLU 188 N 0.00 0.00 -0.44 6.66 4.39 -1.44 -1.79 114.58 121.96 2ubp h GLU 188 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2ubp h GLU 188 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2ubp h GLU 188 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2ubp n GLY 189 N -1.46 3.19 3.59 -3.84 0.00 -0.39 -4.77 105.19 101.51 2ubp n GLY 189 Ca 0.05 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2ubp n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ubp s LEU 190 N -1.96 3.80 -1.38 0.99 1.43 -0.68 -4.99 118.68 115.89 2ubp s LEU 190 Ca 0.40 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.43 2ubp s LEU 190 Cb 0.28 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.60 2ubp s LEU 190 CO 0.17 0.09 2.28 -0.81 0.23 0.00 0.00 176.35 178.31 2ubp n PRO 191 N 4.09 3.84 -3.51 1.29 -0.04 -1.26 -4.77 135.00 134.64 2ubp n PRO 191 Ca -0.16 -3.14 -0.10 0.00 -0.04 0.00 0.00 63.50 60.06 2ubp n PRO 191 Cb 0.52 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 2ubp n PRO 191 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ubp s ILE 192 N 0.60 0.00 0.40 0.52 2.07 -1.26 -5.05 121.20 118.49 2ubp s ILE 192 Ca 0.51 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.50 2ubp s ILE 192 Cb 0.15 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.65 2ubp s ILE 192 CO -0.05 0.00 1.12 0.20 -1.91 0.00 0.00 174.94 174.30 2ubp s ASN 193 N -2.10 6.58 0.02 4.50 0.01 -0.48 -4.63 114.94 118.85 2ubp s ASN 193 Ca 0.01 2.23 0.01 0.00 -0.71 0.00 0.00 52.86 54.40 2ubp s ASN 193 Cb -0.01 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2ubp s ASN 193 CO -0.05 -0.63 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.18 2ubp s VAL 194 N -1.51 0.25 -0.02 1.60 1.01 -0.45 -0.34 120.40 120.94 2ubp s VAL 194 Ca 0.58 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2ubp s VAL 194 Cb -0.27 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2ubp s VAL 194 CO 0.34 -0.40 0.01 -0.83 0.00 0.00 0.00 175.10 174.23 2ubp s GLY 195 N -1.32 0.11 -0.16 4.51 0.00 -0.69 -0.83 107.32 108.94 2ubp s GLY 195 Ca -0.12 0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 2ubp s GLY 195 CO -0.00 0.48 0.03 -0.42 0.00 0.00 0.00 173.10 173.19 2ubp s ILE 196 N 0.77 4.51 -0.15 0.90 1.01 -1.26 -1.98 121.20 125.02 2ubp s ILE 196 Ca -0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 2ubp s ILE 196 Cb -0.10 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2ubp s ILE 196 CO -0.02 0.50 0.16 -0.76 0.00 0.00 0.00 174.94 174.82 2ubp s LEU 197 N 0.13 4.31 0.67 2.97 1.43 0.80 0.03 118.68 129.03 2ubp s LEU 197 Ca 0.03 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2ubp s LEU 197 Cb -0.13 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.07 2ubp s LEU 197 CO 0.01 0.28 0.93 -0.83 0.23 0.00 0.00 176.35 176.98 2ubp s GLY 198 N -0.33 1.77 -0.22 -3.19 0.00 -0.45 -0.66 107.32 104.24 2ubp s GLY 198 Ca 0.13 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 42.82 2ubp s GLY 198 CO 0.02 -1.22 1.37 1.25 0.00 0.00 0.00 173.10 174.52 2ubp s LYS 199 N -5.02 4.03 -1.39 2.90 2.20 -1.26 -4.52 119.74 116.68 2ubp s LYS 199 Ca 0.64 1.55 -0.07 0.00 -0.36 0.00 0.00 55.97 57.74 2ubp s LYS 199 Cb -0.06 -3.88 0.07 0.00 -1.51 0.00 0.00 37.83 32.46 2ubp s LYS 199 CO 0.43 -0.98 2.51 0.41 -0.36 0.00 0.00 175.35 177.36 2ubp n GLY 200 N 4.11 4.98 3.02 5.54 0.00 -1.26 -4.85 105.19 116.73 2ubp n GLY 200 Ca 0.15 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 2ubp n GLY 200 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ubp s HIS 201 N -0.33 -0.22 0.00 1.61 4.02 -1.26 -4.44 115.29 114.67 2ubp s HIS 201 Ca 0.57 0.56 0.00 0.00 1.02 0.00 0.00 55.06 57.22 2ubp s HIS 201 Cb 0.18 0.02 0.00 0.00 -1.02 0.00 0.00 32.58 31.76 2ubp s HIS 201 CO -0.09 -0.15 0.00 0.41 1.02 0.00 0.00 174.74 175.93 2ubp n GLY 202 N 3.65 2.84 0.00 -2.22 0.00 -1.26 -4.69 105.19 103.51 2ubp n GLY 202 Ca -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2ubp n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ubp n SER 203 N 0.00 0.57 -4.43 1.61 3.41 -1.26 -3.81 113.62 109.71 2ubp n SER 203 Ca 0.00 -0.79 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 2ubp n SER 203 Cb 0.00 0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 2ubp n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ubp s SER 204 N -0.38 3.55 0.07 4.04 0.01 -1.26 -5.03 113.70 114.71 2ubp s SER 204 Ca 0.00 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 56.40 2ubp s SER 204 Cb 0.00 -0.35 -0.12 0.00 0.21 0.00 0.00 66.02 65.76 2ubp s SER 204 CO 0.00 0.17 1.36 0.40 0.41 0.00 0.00 173.24 175.58 2ubp h ILE 205 N 3.67 1.33 -0.25 1.44 1.08 -1.94 -3.38 117.51 119.45 2ubp h ILE 205 Ca -0.50 -1.49 0.06 0.00 -0.39 0.00 0.00 64.86 62.54 2ubp h ILE 205 Cb 1.17 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 36.64 2ubp h ILE 205 CO 0.43 0.46 -0.21 0.00 -0.69 0.00 0.00 178.15 178.13 2ubp h ALA 206 N 0.63 -0.07 -0.80 1.87 0.00 -1.98 -0.66 119.26 118.26 2ubp h ALA 206 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2ubp h ALA 206 Cb 0.87 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2ubp h ALA 206 CO 0.07 -0.63 0.52 -1.35 0.00 0.00 0.00 179.25 177.86 2ubp h PRO 207 N -0.21 0.64 0.07 0.00 0.11 -1.97 -0.78 132.00 129.86 2ubp h PRO 207 Ca 0.14 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2ubp h PRO 207 Cb 0.43 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2ubp h PRO 207 CO -0.38 0.42 -0.03 0.82 -0.21 0.00 0.00 178.00 178.62 2ubp h ILE 208 N 0.66 1.09 -0.99 4.15 2.04 -1.56 -3.37 117.51 119.53 2ubp h ILE 208 Ca 0.38 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.82 2ubp h ILE 208 Cb 0.58 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 2ubp h ILE 208 CO -0.15 0.32 0.64 -0.03 0.00 0.00 0.00 178.15 178.93 2ubp h MET 209 N -0.88 1.11 0.00 2.37 4.05 -0.92 -2.23 114.93 118.43 2ubp h MET 209 Ca -0.01 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2ubp h MET 209 Cb 0.60 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2ubp h MET 209 CO 0.02 0.73 -0.01 1.05 0.23 0.00 0.00 176.91 178.93 2ubp h GLU 210 N 1.14 0.00 -0.22 0.39 4.11 -1.30 -1.22 114.58 117.48 2ubp h GLU 210 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.77 2ubp h GLU 210 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ubp h GLU 210 CO -0.18 0.01 -0.24 1.96 0.07 0.00 0.00 179.01 180.63 2ubp h GLN 211 N 0.00 0.55 -0.25 1.06 4.20 -1.58 -0.95 115.11 118.13 2ubp h GLN 211 Ca -0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 2ubp h GLN 211 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2ubp h GLN 211 CO 0.00 0.89 0.07 0.82 -0.67 0.00 0.00 178.83 179.94 2ubp h ILE 212 N 0.23 1.20 0.00 2.54 1.08 -1.32 -1.99 117.51 119.26 2ubp h ILE 212 Ca 0.03 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2ubp h ILE 212 Cb 0.80 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2ubp h ILE 212 CO 0.06 0.21 -0.11 0.44 -0.69 0.00 0.00 178.15 178.06 2ubp h ASP 213 N 0.23 0.00 1.16 1.72 3.32 -1.32 -2.00 116.42 119.53 2ubp h ASP 213 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2ubp h ASP 213 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2ubp h ASP 213 CO -0.00 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 2ubp h ALA 214 N 1.89 1.00 0.00 3.45 0.00 -0.87 -3.35 119.26 121.39 2ubp h ALA 214 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ubp h ALA 214 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ubp h ALA 214 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2ubp n GLY 215 N 0.35 -0.07 3.76 0.00 0.00 -0.75 -4.69 105.19 103.79 2ubp n GLY 215 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2ubp n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ubp s ALA 216 N -0.86 2.72 -2.53 4.61 0.00 -0.77 -4.32 121.76 120.61 2ubp s ALA 216 Ca 0.00 1.04 0.23 0.00 0.00 0.00 0.00 51.96 53.23 2ubp s ALA 216 Cb 0.00 -3.45 0.37 0.00 0.00 0.00 0.00 23.12 20.04 2ubp s ALA 216 CO 0.00 -1.05 1.36 0.00 0.00 0.00 0.00 175.76 176.08 2ubp n ALA 217 N -1.18 2.42 0.00 0.00 0.00 0.10 -2.90 120.51 118.96 2ubp n ALA 217 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2ubp n ALA 217 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2ubp n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ubp n GLY 218 N 1.45 -1.38 0.00 0.00 0.00 -1.23 -4.23 105.19 99.79 2ubp n GLY 218 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2ubp n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ubp n LEU 219 N 0.00 0.00 -3.46 0.99 4.77 -0.12 -1.35 117.00 117.84 2ubp n LEU 219 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2ubp n LEU 219 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2ubp n LEU 219 CO 0.00 0.00 0.42 -0.63 -1.33 0.00 0.00 177.39 175.85 2ubp s ILE 221 N 0.92 -0.74 -0.01 -0.08 1.01 -0.06 -0.73 121.20 121.51 2ubp s ILE 221 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 2ubp s ILE 221 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2ubp s ILE 221 CO 0.00 0.00 -0.15 -2.28 0.00 0.00 0.00 174.94 172.51 2ubp s HIS 222 N 2.70 1.33 0.61 3.97 2.46 -1.26 -0.65 115.29 124.45 2ubp s HIS 222 Ca -0.02 -0.25 0.33 0.00 0.47 0.00 0.00 55.06 55.59 2ubp s HIS 222 Cb -0.10 -0.85 1.95 0.00 -0.13 0.00 0.00 32.58 33.45 2ubp s HIS 222 CO -0.18 -0.02 2.27 1.05 -2.47 0.00 0.00 174.74 175.39 2ubp h GLU 223 N 5.74 0.00 0.00 2.88 4.11 -1.61 -1.38 114.58 124.32 2ubp h GLU 223 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2ubp h GLU 223 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ubp h GLU 223 CO 0.49 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 179.13 2ubp h ASP 224 N 0.00 0.00 -0.06 3.06 5.19 -1.93 -0.59 116.42 122.09 2ubp h ASP 224 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ubp h ASP 224 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2ubp h ASP 224 CO -0.00 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 176.91 2ubp n TRP 225 N -2.89 0.04 0.00 4.55 7.02 -0.53 -5.01 117.44 120.61 2ubp n TRP 225 Ca 0.01 -0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2ubp n TRP 225 Cb 0.28 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 2ubp n TRP 225 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2ubp n GLY 226 N 1.34 0.04 2.64 6.99 0.00 -0.23 -4.96 105.19 111.02 2ubp n GLY 226 Ca 0.14 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2ubp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ubp n ALA 227 N 0.00 6.18 -2.32 4.61 0.00 -1.24 -4.75 120.51 122.99 2ubp n ALA 227 Ca 0.00 -4.10 -0.24 0.00 0.00 0.00 0.00 53.44 49.10 2ubp n ALA 227 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 19.45 16.46 2ubp n ALA 227 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ubp s THR 228 N 0.28 4.14 0.27 0.00 -4.23 -1.26 -4.41 115.64 110.42 2ubp s THR 228 Ca 0.49 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2ubp s THR 228 Cb 0.14 -3.55 0.25 0.00 1.34 0.00 0.00 72.50 70.69 2ubp s THR 228 CO -0.05 -0.42 1.75 -0.65 -0.54 0.00 0.00 174.62 174.71 2ubp h PRO 229 N 0.33 0.55 -0.18 3.99 0.11 -1.92 -0.98 132.00 133.91 2ubp h PRO 229 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2ubp h PRO 229 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2ubp h PRO 229 CO 0.59 0.36 0.04 0.00 -0.21 0.00 0.00 178.00 178.78 2ubp h ALA 230 N 1.60 0.24 -0.34 -0.75 0.00 -1.94 -0.84 119.26 117.23 2ubp h ALA 230 Ca 0.49 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2ubp h ALA 230 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2ubp h ALA 230 CO -0.40 -0.12 -0.13 0.77 0.00 0.00 0.00 179.25 179.37 2ubp h SER 231 N 0.10 0.57 0.14 0.00 0.02 -1.52 0.19 113.55 113.05 2ubp h SER 231 Ca 0.06 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2ubp h SER 231 Cb 0.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ubp h SER 231 CO 0.00 0.73 -0.07 0.40 -1.14 0.00 0.00 176.83 176.75 2ubp h ILE 232 N 0.54 0.94 -0.07 3.27 2.04 -1.16 -2.19 117.51 120.87 2ubp h ILE 232 Ca 0.09 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2ubp h ILE 232 Cb 0.54 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2ubp h ILE 232 CO 0.03 0.08 -0.00 -0.78 0.00 0.00 0.00 178.15 177.48 2ubp h ASP 233 N -0.34 -0.04 -0.42 1.72 3.58 -0.64 -2.30 116.42 117.98 2ubp h ASP 233 Ca -0.02 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2ubp h ASP 233 Cb 0.27 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2ubp h ASP 233 CO 0.03 -0.01 -0.19 0.03 -2.88 0.00 0.00 179.24 176.22 2ubp h ARG 234 N 0.02 0.92 -0.65 0.28 2.47 -0.62 -1.86 114.38 114.94 2ubp h ARG 234 Ca 0.03 -0.37 0.02 0.00 -1.26 0.00 0.00 59.98 58.40 2ubp h ARG 234 Cb 0.04 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 2ubp h ARG 234 CO -0.06 1.03 0.42 0.77 0.56 0.00 0.00 179.97 182.68 2ubp h SER 235 N 0.80 0.71 0.35 7.04 0.02 -1.33 -0.88 113.55 120.26 2ubp h SER 235 Ca 0.11 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2ubp h SER 235 Cb 0.74 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2ubp h SER 235 CO 0.06 0.50 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.76 2ubp h LEU 236 N 0.84 0.11 -0.34 5.07 3.38 -1.17 0.12 115.31 123.32 2ubp h LEU 236 Ca 0.25 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2ubp h LEU 236 Cb -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ubp h LEU 236 CO -0.07 0.53 -0.14 0.74 0.09 0.00 0.00 178.44 179.58 2ubp h THR 237 N 0.09 1.29 -0.23 0.22 2.02 -1.03 -0.95 112.91 114.31 2ubp h THR 237 Ca 0.01 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2ubp h THR 237 Cb 0.79 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2ubp h THR 237 CO 0.06 0.41 0.11 0.58 0.37 0.00 0.00 175.52 177.05 2ubp h VAL 238 N 0.48 1.14 -0.65 3.16 2.07 -0.92 -2.59 116.25 118.94 2ubp h VAL 238 Ca 0.08 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2ubp h VAL 238 Cb 0.67 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2ubp h VAL 238 CO 0.05 0.14 0.37 0.00 0.02 0.00 0.00 177.57 178.14 2ubp h ALA 239 N 0.98 0.87 -0.24 1.67 0.00 -0.64 0.65 119.26 122.55 2ubp h ALA 239 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2ubp h ALA 239 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ubp h ALA 239 CO -0.01 0.05 -0.14 -0.44 0.00 0.00 0.00 179.25 178.72 2ubp h ASP 240 N 0.68 0.39 0.02 0.00 3.32 -1.08 0.42 116.42 120.17 2ubp h ASP 240 Ca 0.29 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 2ubp h ASP 240 Cb 0.16 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.62 2ubp h ASP 240 CO -0.17 0.56 -0.87 -0.08 -1.72 0.00 0.00 179.24 176.96 2ubp h GLU 241 N 0.38 0.55 0.00 3.56 4.81 -0.99 -3.35 114.58 119.54 2ubp h GLU 241 Ca 0.07 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2ubp h GLU 241 Cb 0.47 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2ubp h GLU 241 CO 0.03 1.24 -0.29 0.00 -0.73 0.00 0.00 179.01 179.26 2ubp n ALA 242 N -2.63 2.62 -3.27 2.92 0.00 0.16 -4.97 120.51 115.35 2ubp n ALA 242 Ca -0.11 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 2ubp n ALA 242 Cb 0.80 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 19.00 2ubp n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ubp n ASP 243 N -2.11 -3.13 -4.31 0.00 2.03 0.12 -4.54 116.55 104.61 2ubp n ASP 243 Ca 0.05 -0.59 -0.16 0.00 0.52 0.00 0.00 54.79 54.60 2ubp n ASP 243 Cb 0.42 -4.79 -0.10 0.00 -0.72 0.00 0.00 41.12 35.93 2ubp n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ubp s VAL 244 N -3.34 1.13 0.27 5.18 -7.23 -1.12 -4.14 120.40 111.16 2ubp s VAL 244 Ca 0.11 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 2ubp s VAL 244 Cb -0.01 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 2ubp s VAL 244 CO 0.68 -0.46 0.58 -1.58 -0.31 0.00 0.00 175.10 174.01 2ubp s GLN 245 N -3.81 3.74 -0.16 4.82 2.00 -1.26 -4.69 119.66 120.29 2ubp s GLN 245 Ca 0.25 0.20 -0.02 0.00 -2.00 0.00 0.00 55.36 53.79 2ubp s GLN 245 Cb 0.04 -2.61 -0.02 0.00 0.80 0.00 0.00 33.01 31.23 2ubp s GLN 245 CO 0.06 0.23 -0.08 0.08 -0.50 0.00 0.00 175.29 175.09 2ubp s VAL 246 N -1.99 3.36 0.06 1.34 1.01 -1.26 -0.94 120.40 121.97 2ubp s VAL 246 Ca 0.47 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2ubp s VAL 246 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2ubp s VAL 246 CO 0.26 0.49 0.21 0.00 0.00 0.00 0.00 175.10 176.05 2ubp s ALA 247 N 0.70 4.00 -0.05 5.51 0.00 0.09 -0.51 121.76 131.50 2ubp s ALA 247 Ca -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2ubp s ALA 247 Cb -0.15 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2ubp s ALA 247 CO 0.02 0.82 -0.09 -1.50 0.00 0.00 0.00 175.76 175.02 2ubp s ILE 248 N -1.50 0.85 -0.39 0.00 2.07 -0.14 -0.88 121.20 121.21 2ubp s ILE 248 Ca 0.35 -0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.21 2ubp s ILE 248 Cb -0.13 -0.79 0.09 0.00 0.13 0.00 0.00 42.46 41.76 2ubp s ILE 248 CO 0.27 0.28 0.17 -2.28 -1.91 0.00 0.00 174.94 171.48 2ubp s HIS 249 N 0.60 3.46 1.08 3.50 5.65 0.17 -2.11 115.29 127.64 2ubp s HIS 249 Ca -0.10 -2.09 -0.18 0.00 0.25 0.00 0.00 55.06 52.93 2ubp s HIS 249 Cb -0.13 -2.91 0.25 0.00 -1.18 0.00 0.00 32.58 28.61 2ubp s HIS 249 CO 0.02 -0.91 1.27 -1.54 -0.65 0.00 0.00 174.74 172.93 2ubp s SER 250 N 1.76 2.07 -0.90 9.88 1.04 -1.26 -2.07 113.70 124.22 2ubp s SER 250 Ca 0.04 0.29 -0.24 0.00 0.48 0.00 0.00 55.95 56.52 2ubp s SER 250 Cb -0.22 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2ubp s SER 250 CO -0.02 -3.38 1.67 -0.62 0.98 0.00 0.00 173.24 171.87 2ubp s ASP 251 N -4.62 5.79 0.23 7.02 -1.08 -1.26 -3.95 116.67 118.80 2ubp s ASP 251 Ca 0.75 -0.83 -0.07 0.00 -0.52 0.00 0.00 52.55 51.88 2ubp s ASP 251 Cb -0.04 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 39.22 2ubp s ASP 251 CO 0.54 -2.13 1.75 0.74 0.52 0.00 0.00 175.17 176.59 2ubp h THR 252 N 6.91 0.75 0.00 1.71 2.02 -1.92 -2.11 112.91 120.26 2ubp h THR 252 Ca 0.05 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2ubp h THR 252 Cb 1.03 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2ubp h THR 252 CO 1.30 0.09 0.00 0.18 0.37 0.00 0.00 175.52 177.46 2ubp n LEU 253 N -4.96 0.60 -3.06 2.58 4.32 -1.26 -2.14 117.00 113.09 2ubp n LEU 253 Ca 0.11 0.69 -0.22 0.00 -0.02 0.00 0.00 56.01 56.57 2ubp n LEU 253 Cb 0.32 -0.66 0.02 0.00 -1.62 0.00 0.00 43.42 41.48 2ubp n LEU 253 CO 0.21 -0.68 -0.04 0.59 -1.22 0.00 0.00 177.39 176.25 2ubp n ASN 254 N -2.21 -5.22 -0.01 -1.43 3.02 -0.80 -4.89 115.26 103.73 2ubp n ASN 254 Ca 0.01 -0.27 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 2ubp n ASN 254 Cb 0.16 -4.26 -0.08 0.00 -0.61 0.00 0.00 39.78 34.99 2ubp n ASN 254 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ubp h GLU 255 N -1.09 0.10 -0.02 3.52 4.81 -1.89 -3.22 114.58 116.78 2ubp h GLU 255 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2ubp h GLU 255 Cb 1.33 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2ubp h GLU 255 CO 0.54 0.37 -0.17 0.00 -0.73 0.00 0.00 179.01 179.02 2ubp n ALA 256 N -2.27 2.83 0.00 2.92 0.00 -1.26 -5.04 120.51 117.70 2ubp n ALA 256 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2ubp n ALA 256 Cb 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2ubp n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ubp n GLY 257 N 1.17 0.64 3.99 0.00 0.00 -1.22 -4.94 105.19 104.83 2ubp n GLY 257 Ca 0.10 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2ubp n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ubp s PHE 258 N -2.00 1.45 0.26 1.61 0.08 -1.26 -4.26 117.98 113.87 2ubp s PHE 258 Ca 0.00 -0.77 -0.01 0.00 0.12 0.00 0.00 56.93 56.26 2ubp s PHE 258 Cb 0.00 -2.10 0.56 0.00 -0.57 0.00 0.00 43.02 40.91 2ubp s PHE 258 CO 0.00 -0.93 1.71 1.25 -0.10 0.00 0.00 175.22 177.15 2ubp h LEU 259 N 0.37 0.24 -1.78 -0.37 5.85 -1.94 -0.86 115.31 116.83 2ubp h LEU 259 Ca -0.32 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ubp h LEU 259 Cb 1.29 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2ubp h LEU 259 CO 0.46 0.04 0.16 1.05 -0.34 0.00 0.00 178.44 179.82 2ubp h GLU 260 N 0.40 0.29 -0.49 1.25 9.09 -1.99 -0.26 114.58 122.88 2ubp h GLU 260 Ca 0.47 -0.02 -0.13 0.00 0.05 0.00 0.00 59.36 59.73 2ubp h GLU 260 Cb 0.80 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.82 2ubp h GLU 260 CO -0.47 0.19 -0.20 -0.44 0.05 0.00 0.00 179.01 178.14 2ubp h ASP 261 N 0.30 1.03 -0.46 3.06 3.32 -1.52 -0.66 116.42 121.48 2ubp h ASP 261 Ca 0.09 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 2ubp h ASP 261 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2ubp h ASP 261 CO -0.02 1.19 0.11 0.74 -1.72 0.00 0.00 179.24 179.54 2ubp h THR 262 N 0.86 1.24 -0.81 0.35 2.02 -0.94 -1.25 112.91 114.38 2ubp h THR 262 Ca 0.11 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2ubp h THR 262 Cb 0.78 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 2ubp h THR 262 CO 0.06 0.29 0.51 -0.07 0.37 0.00 0.00 175.52 176.69 2ubp h LEU 263 N 0.62 0.95 -0.78 2.58 3.38 -0.97 -0.70 115.31 120.39 2ubp h LEU 263 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2ubp h LEU 263 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ubp h LEU 263 CO 0.00 0.71 -0.43 -0.09 0.09 0.00 0.00 178.44 178.72 2ubp h ARG 264 N 1.11 0.39 -0.46 1.13 2.43 -0.83 -0.92 114.38 117.23 2ubp h ARG 264 Ca 0.29 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2ubp h ARG 264 Cb -0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2ubp h ARG 264 CO -0.06 0.75 -0.14 0.00 -1.51 0.00 0.00 179.97 179.01 2ubp h ALA 265 N 1.22 0.88 -0.70 2.80 0.00 -0.75 -2.57 119.26 120.14 2ubp h ALA 265 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2ubp h ALA 265 Cb 0.89 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ubp h ALA 265 CO 0.07 0.64 0.32 0.82 0.00 0.00 0.00 179.25 181.10 2ubp h ILE 266 N 0.77 1.24 -5.19 0.00 2.04 -0.73 -3.41 117.51 112.23 2ubp h ILE 266 Ca 0.12 -0.68 -0.35 0.00 1.00 0.00 0.00 64.86 64.95 2ubp h ILE 266 Cb 0.66 0.40 0.12 0.00 -0.74 0.00 0.00 36.82 37.26 2ubp h ILE 266 CO 0.05 0.28 -0.59 -3.20 0.00 0.00 0.00 178.15 174.69 2ubp n ASN 267 N -4.42 -5.83 0.00 1.72 4.05 -0.39 -2.37 115.26 108.02 2ubp n ASN 267 Ca 0.05 -0.46 0.00 0.00 0.45 0.00 0.00 54.58 54.62 2ubp n ASN 267 Cb 0.14 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 36.70 2ubp n ASN 267 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ubp n GLY 268 N -1.81 1.79 3.79 8.20 0.00 -1.26 -5.02 105.19 110.87 2ubp n GLY 268 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2ubp n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ubp s ARG 269 N -0.32 3.00 0.21 1.61 0.52 -1.00 -4.81 118.95 118.16 2ubp s ARG 269 Ca 0.00 1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 56.17 2ubp s ARG 269 Cb 0.00 -1.99 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 2ubp s ARG 269 CO 0.00 -1.07 1.11 0.08 0.02 0.00 0.00 175.30 175.44 2ubp s VAL 270 N -2.48 3.72 -0.06 3.52 1.01 -1.26 -4.79 120.40 120.06 2ubp s VAL 270 Ca 0.64 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 64.00 2ubp s VAL 270 Cb -0.18 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2ubp s VAL 270 CO 0.41 0.29 0.38 -0.51 0.00 0.00 0.00 175.10 175.67 2ubp s ILE 271 N -0.47 0.03 -0.28 2.22 2.07 -0.89 -4.76 121.20 119.11 2ubp s ILE 271 Ca 0.48 -0.29 -0.15 0.00 -1.41 0.00 0.00 60.65 59.29 2ubp s ILE 271 Cb -0.31 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2ubp s ILE 271 CO 0.37 -0.16 0.39 -2.28 -1.91 0.00 0.00 174.94 171.35 2ubp s HIS 272 N -0.87 3.24 -0.48 3.50 5.65 0.34 -0.79 115.29 125.88 2ubp s HIS 272 Ca -0.09 0.35 -0.18 0.00 0.25 0.00 0.00 55.06 55.38 2ubp s HIS 272 Cb -0.04 -2.62 0.05 0.00 -1.18 0.00 0.00 32.58 28.79 2ubp s HIS 272 CO 0.04 -0.28 0.56 0.45 -0.65 0.00 0.00 174.74 174.86 2ubp s SER 273 N 1.66 6.22 0.69 9.88 0.15 -0.36 -0.97 113.70 130.97 2ubp s SER 273 Ca 0.15 -0.84 -0.13 0.00 0.70 0.00 0.00 55.95 55.83 2ubp s SER 273 Cb -0.16 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2ubp s SER 273 CO 0.10 -0.78 1.08 -0.36 1.20 0.00 0.00 173.24 174.48 2ubp s PHE 274 N 2.43 2.78 -0.04 3.44 0.08 -0.90 -1.16 117.98 124.61 2ubp s PHE 274 Ca 0.14 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 58.70 2ubp s PHE 274 Cb -0.19 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 2ubp s PHE 274 CO 0.12 -1.52 0.03 -2.39 -0.10 0.00 0.00 175.22 171.36 2ubp n HIS 275 N -2.85 -0.09 0.28 0.36 1.44 -0.98 -4.73 115.22 108.65 2ubp n HIS 275 Ca 0.09 0.03 0.15 0.00 -2.01 0.00 0.00 57.72 55.98 2ubp n HIS 275 Cb 0.53 -0.13 0.81 0.00 0.12 0.00 0.00 29.99 31.32 2ubp n HIS 275 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2ubp h VAL 276 N 1.39 0.45 -0.33 0.61 3.04 -1.30 -0.15 116.25 119.96 2ubp h VAL 276 Ca -0.03 -0.40 -0.07 0.00 -1.01 0.00 0.00 66.70 65.19 2ubp h VAL 276 Cb 0.06 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 2ubp h VAL 276 CO 0.02 0.08 -0.10 -0.08 -1.01 0.00 0.00 177.57 176.47 2ubp h GLU 277 N 0.00 0.56 0.00 4.17 4.22 -1.85 -2.36 114.58 119.33 2ubp h GLU 277 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2ubp h GLU 277 Cb 0.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2ubp h GLU 277 CO 0.01 0.66 0.00 0.41 -2.18 0.00 0.00 179.01 177.91 2ubp n GLY 278 N -0.63 1.92 0.30 1.92 0.00 -0.07 -4.43 105.19 104.20 2ubp n GLY 278 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2ubp n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ubp h ALA 279 N 0.00 1.91 0.00 4.61 0.00 -1.82 -0.79 119.26 123.17 2ubp h ALA 279 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ubp h ALA 279 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2ubp h ALA 279 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2ubp n GLY 280 N -1.52 -1.55 0.00 0.00 0.00 -1.26 -4.93 105.19 95.93 2ubp n GLY 280 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ubp n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ubp n GLY 281 N 1.02 4.67 0.00 -0.02 0.00 -0.30 -4.99 105.19 105.57 2ubp n GLY 281 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2ubp n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ubp n GLY 282 N -1.87 4.60 2.12 -0.02 0.00 -1.25 -4.33 105.19 104.44 2ubp n GLY 282 Ca 0.00 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 2ubp n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ubp n HIS 283 N -1.95 0.94 -3.05 1.61 8.25 -1.22 -4.18 115.22 115.62 2ubp n HIS 283 Ca 0.00 0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 57.68 2ubp n HIS 283 Cb 0.00 -1.31 -0.05 0.00 1.12 0.00 0.00 29.99 29.75 2ubp n HIS 283 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ubp s ALA 284 N 2.18 3.35 -1.14 -1.41 0.00 -0.91 -1.69 121.76 122.15 2ubp s ALA 284 Ca 0.63 0.15 0.13 0.00 0.00 0.00 0.00 51.96 52.87 2ubp s ALA 284 Cb -0.88 -2.94 0.33 0.00 0.00 0.00 0.00 23.12 19.63 2ubp s ALA 284 CO 0.46 -0.05 1.26 -0.35 0.00 0.00 0.00 175.76 177.08 2ubp n PRO 285 N 3.51 2.66 -0.39 0.00 -0.04 -1.26 -4.93 135.00 134.54 2ubp n PRO 285 Ca -0.02 -2.06 0.08 0.00 -0.04 0.00 0.00 63.50 61.46 2ubp n PRO 285 Cb 0.51 -1.31 0.24 0.00 -0.04 0.00 0.00 33.50 32.90 2ubp n PRO 285 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ubp n ASP 286 N 0.69 3.70 -0.07 3.54 5.75 -0.95 -4.66 116.55 124.55 2ubp n ASP 286 Ca 0.13 -2.81 0.18 0.00 -0.01 0.00 0.00 54.79 52.28 2ubp n ASP 286 Cb 0.44 -0.48 0.61 0.00 -1.03 0.00 0.00 41.12 40.66 2ubp n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2ubp h ILE 287 N 1.85 0.76 0.00 2.12 6.09 -1.61 -1.73 117.51 125.00 2ubp h ILE 287 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2ubp h ILE 287 Cb 1.30 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.16 2ubp h ILE 287 CO 0.18 0.03 0.00 -0.03 -3.07 0.00 0.00 178.15 175.26 2ubp h MET 288 N 0.18 0.00 0.00 2.19 4.05 -1.63 -0.17 114.93 119.54 2ubp h MET 288 Ca 0.30 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 2ubp h MET 288 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2ubp h MET 288 CO -0.05 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.09 2ubp h ALA 289 N 2.06 1.00 -0.72 0.39 0.00 -1.60 -1.07 119.26 119.32 2ubp h ALA 289 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2ubp h ALA 289 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2ubp h ALA 289 CO 0.00 0.00 0.49 0.52 0.00 0.00 0.00 179.25 180.26 2ubp h MET 290 N 0.00 0.29 0.00 0.00 2.07 -1.24 -2.35 114.93 113.71 2ubp h MET 290 Ca 0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2ubp h MET 290 Cb 0.23 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 2ubp h MET 290 CO 0.00 0.19 0.00 0.00 1.07 0.00 0.00 176.91 178.17 2ubp n ALA 291 N -2.56 1.92 1.04 6.32 0.00 -0.40 -2.21 120.51 124.61 2ubp n ALA 291 Ca 0.14 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2ubp n ALA 291 Cb 0.58 -1.24 0.16 0.00 0.00 0.00 0.00 19.45 18.95 2ubp n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ubp n GLY 292 N -0.07 -0.99 3.87 0.00 0.00 -0.88 -4.78 105.19 102.33 2ubp n GLY 292 Ca 0.09 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2ubp n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ubp s HIS 293 N -2.88 3.42 0.29 1.61 3.76 -0.94 -2.19 115.29 118.35 2ubp s HIS 293 Ca 0.13 0.99 0.13 0.00 -0.15 0.00 0.00 55.06 56.16 2ubp s HIS 293 Cb 0.17 -2.35 0.55 0.00 1.11 0.00 0.00 32.58 32.07 2ubp s HIS 293 CO 0.71 0.22 1.71 -1.00 -0.85 0.00 0.00 174.74 175.53 2ubp h PRO 294 N 2.50 0.00 -0.25 8.40 0.13 -1.93 -2.84 132.00 138.01 2ubp h PRO 294 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ubp h PRO 294 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ubp h PRO 294 CO 0.68 0.49 0.00 0.27 -0.23 0.00 0.00 178.00 179.21 2ubp n ASN 295 N -3.83 2.65 -4.69 1.44 6.94 -1.26 -0.77 115.26 115.74 2ubp n ASN 295 Ca -0.01 -1.87 -0.35 0.00 -0.02 0.00 0.00 54.58 52.33 2ubp n ASN 295 Cb 0.52 -0.15 -0.09 0.00 -2.36 0.00 0.00 39.78 37.70 2ubp n ASN 295 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2ubp s VAL 296 N -1.69 4.95 -0.42 3.53 1.01 -1.07 -2.10 120.40 124.61 2ubp s VAL 296 Ca 0.35 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 2ubp s VAL 296 Cb 0.20 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.44 2ubp s VAL 296 CO 0.30 0.49 0.27 -0.76 0.00 0.00 0.00 175.10 175.40 2ubp s LEU 297 N 0.09 5.19 -0.14 3.92 1.43 0.03 -4.23 118.68 124.97 2ubp s LEU 297 Ca 0.06 -1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 2ubp s LEU 297 Cb -0.12 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2ubp s LEU 297 CO 0.00 -0.54 0.23 -2.16 0.23 0.00 0.00 176.35 174.11 2ubp s PRO 298 N 1.47 3.99 0.16 1.29 0.04 -1.26 -1.23 135.00 139.46 2ubp s PRO 298 Ca 0.03 -0.00 0.07 0.00 0.04 0.00 0.00 61.00 61.14 2ubp s PRO 298 Cb -0.23 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2ubp s PRO 298 CO 0.03 0.44 -0.16 -1.54 0.04 0.00 0.00 177.00 175.81 2ubp s SER 299 N -0.12 2.44 0.18 6.66 1.04 -0.31 -2.02 113.70 121.57 2ubp s SER 299 Ca 0.15 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.75 2ubp s SER 299 Cb -0.13 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 2ubp s SER 299 CO 0.04 -0.09 0.26 -0.44 0.98 0.00 0.00 173.24 173.98 2ubp s SER 300 N -2.70 6.09 0.60 7.02 0.01 -0.06 -1.13 113.70 123.53 2ubp s SER 300 Ca 0.15 0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.52 2ubp s SER 300 Cb -0.05 -1.75 0.09 0.00 0.21 0.00 0.00 66.02 64.52 2ubp s SER 300 CO 0.05 0.02 0.83 0.42 0.41 0.00 0.00 173.24 174.98 2ubp s THR 301 N -1.83 2.22 -1.36 1.44 -4.23 -1.26 -1.46 115.64 109.16 2ubp s THR 301 Ca 0.33 -0.88 0.21 0.00 -1.18 0.00 0.00 61.69 60.17 2ubp s THR 301 Cb -0.10 -2.34 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 2ubp s THR 301 CO 0.27 0.00 0.93 -0.46 -0.54 0.00 0.00 174.62 174.83 2ubp n ASN 302 N -2.38 1.37 0.22 3.99 0.23 -1.05 -4.27 115.26 113.36 2ubp n ASN 302 Ca 0.15 -1.19 0.14 0.00 -0.53 0.00 0.00 54.58 53.15 2ubp n ASN 302 Cb 0.61 0.78 0.41 0.00 -2.08 0.00 0.00 39.78 39.50 2ubp n ASN 302 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2ubp h PRO 303 N 0.97 0.00 -0.03 -0.53 0.11 -1.83 -0.50 132.00 130.18 2ubp h PRO 303 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ubp h PRO 303 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2ubp h PRO 303 CO 0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 2ubp n THR 304 N -2.93 0.03 -3.82 -1.15 -2.24 -1.26 -4.83 114.28 98.09 2ubp n THR 304 Ca 0.03 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 2ubp n THR 304 Cb 0.41 0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.81 2ubp n THR 304 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ubp s ARG 305 N -1.97 3.65 0.17 -0.78 1.81 -0.20 -3.49 118.95 118.14 2ubp s ARG 305 Ca 0.38 -0.49 -0.01 0.00 -1.72 0.00 0.00 55.73 53.90 2ubp s ARG 305 Cb 0.20 -3.27 0.04 0.00 -0.45 0.00 0.00 34.95 31.47 2ubp s ARG 305 CO 0.33 -0.14 0.24 -0.35 -0.68 0.00 0.00 175.30 174.69 2ubp n PRO 306 N 4.77 0.27 -2.62 3.54 -0.04 -1.26 -4.79 135.00 134.87 2ubp n PRO 306 Ca -0.16 -0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 62.30 2ubp n PRO 306 Cb 0.51 -0.18 -0.02 0.00 -0.04 0.00 0.00 33.50 33.77 2ubp n PRO 306 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2ubp s PHE 307 N -0.78 2.98 0.37 0.54 5.36 -1.23 -4.96 117.98 120.26 2ubp s PHE 307 Ca 0.15 0.95 0.06 0.00 -0.96 0.00 0.00 56.93 57.13 2ubp s PHE 307 Cb -0.01 -4.07 -0.07 0.00 -0.34 0.00 0.00 43.02 38.53 2ubp s PHE 307 CO 0.10 -1.03 0.02 0.95 -1.46 0.00 0.00 175.22 173.80 2ubp s THR 308 N 4.07 1.72 0.36 0.12 -4.23 -1.26 -2.38 115.64 114.04 2ubp s THR 308 Ca 0.47 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 2ubp s THR 308 Cb -0.10 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.12 2ubp s THR 308 CO 0.24 -0.02 2.01 -0.37 -0.54 0.00 0.00 174.62 175.94 2ubp h VAL 309 N 1.92 0.60 0.00 2.29 -1.51 -1.59 -2.21 116.25 115.75 2ubp h VAL 309 Ca -0.43 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2ubp h VAL 309 Cb 1.24 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2ubp h VAL 309 CO 0.76 0.15 -0.67 0.78 -1.23 0.00 0.00 177.57 177.36 2ubp h ASN 310 N 0.00 0.00 -0.78 4.19 2.35 -1.95 -3.41 115.58 115.97 2ubp h ASN 310 Ca -0.00 -0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.73 2ubp h ASN 310 Cb 0.43 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.66 2ubp h ASN 310 CO 0.02 0.08 -0.29 0.74 -1.65 0.00 0.00 177.43 176.34 2ubp h THR 311 N 0.00 0.14 -0.09 2.81 2.02 -1.77 -1.90 112.91 114.12 2ubp h THR 311 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2ubp h THR 311 Cb 0.80 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2ubp h THR 311 CO 0.00 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.25 2ubp h ILE 312 N -0.05 1.32 -0.66 3.11 1.08 -1.80 -1.61 117.51 118.90 2ubp h ILE 312 Ca 0.33 -1.04 0.07 0.00 -0.39 0.00 0.00 64.86 63.83 2ubp h ILE 312 Cb 0.58 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 2ubp h ILE 312 CO -0.82 0.29 0.34 0.44 -0.69 0.00 0.00 178.15 177.72 2ubp h ASP 313 N -0.18 0.48 -0.11 1.72 3.32 -1.83 0.40 116.42 120.23 2ubp h ASP 313 Ca 0.02 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 2ubp h ASP 313 Cb 0.48 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2ubp h ASP 313 CO 0.01 0.30 -0.45 1.05 -1.72 0.00 0.00 179.24 178.43 2ubp h GLU 314 N 0.62 0.66 -0.03 3.56 4.11 -1.23 -2.81 114.58 119.45 2ubp h GLU 314 Ca 0.31 -0.36 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 2ubp h GLU 314 Cb 0.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ubp h GLU 314 CO -0.21 0.97 -0.07 0.45 0.07 0.00 0.00 179.01 180.22 2ubp h HIS 315 N 0.53 0.14 -0.19 2.06 3.86 -0.47 0.40 115.15 121.48 2ubp h HIS 315 Ca 0.03 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2ubp h HIS 315 Cb 0.99 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.36 2ubp h HIS 315 CO 0.05 0.66 -0.34 -0.07 0.86 0.00 0.00 177.93 179.09 2ubp h LEU 316 N -0.42 -1.08 -0.32 2.43 3.38 -0.28 0.11 115.31 119.12 2ubp h LEU 316 Ca 0.00 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ubp h LEU 316 Cb 0.65 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2ubp h LEU 316 CO 0.02 -0.36 0.18 -0.78 0.09 0.00 0.00 178.44 177.59 2ubp h ASP 317 N -0.38 0.40 -0.40 -0.43 3.58 -1.56 -1.66 116.42 115.97 2ubp h ASP 317 Ca 0.11 -0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.56 2ubp h ASP 317 Cb 0.56 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 2ubp h ASP 317 CO -0.40 0.36 -0.14 -0.03 -2.88 0.00 0.00 179.24 176.15 2ubp h MET 318 N 0.41 -0.05 -0.42 0.28 4.05 -0.35 0.43 114.93 119.28 2ubp h MET 318 Ca 0.11 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 2ubp h MET 318 Cb 0.05 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 2ubp h MET 318 CO -0.02 -0.03 0.16 1.25 0.23 0.00 0.00 176.91 178.50 2ubp h LEU 319 N -0.05 0.19 -0.34 3.39 5.85 -0.53 1.00 115.31 124.81 2ubp h LEU 319 Ca 0.19 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2ubp h LEU 319 Cb 0.35 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2ubp h LEU 319 CO -0.44 0.14 0.21 0.24 -0.34 0.00 0.00 178.44 178.26 2ubp h MET 320 N 0.34 0.46 -0.27 1.25 2.86 -0.69 -2.20 114.93 116.68 2ubp h MET 320 Ca 0.19 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.62 2ubp h MET 320 Cb 0.16 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2ubp h MET 320 CO -0.18 0.33 -0.53 -0.39 1.06 0.00 0.00 176.91 177.19 2ubp h VAL 321 N 0.45 1.29 0.00 -2.22 -1.51 -0.73 0.11 116.25 113.64 2ubp h VAL 321 Ca 0.12 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 2ubp h VAL 321 Cb -0.02 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2ubp h VAL 321 CO -0.02 0.56 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 2ubp n HIS 323 N -2.32 0.19 -3.80 0.00 -0.00 -0.84 -4.96 115.22 103.49 2ubp n HIS 323 Ca 0.05 -0.12 -0.26 0.00 -0.00 0.00 0.00 57.72 57.39 2ubp n HIS 323 Cb 0.41 -0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.43 2ubp n HIS 323 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ubp n HIS 324 N 1.11 -2.24 -1.77 4.41 8.25 -0.79 -4.95 115.22 119.24 2ubp n HIS 324 Ca 0.13 0.90 -0.31 0.00 -0.26 0.00 0.00 57.72 58.18 2ubp n HIS 324 Cb 0.49 -4.26 0.03 0.00 1.12 0.00 0.00 29.99 27.38 2ubp n HIS 324 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ubp s LEU 325 N -7.07 3.26 -0.07 2.41 1.43 0.32 -5.04 118.68 113.93 2ubp s LEU 325 Ca 0.43 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 2ubp s LEU 325 Cb -0.21 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2ubp s LEU 325 CO 0.81 -1.26 -0.07 -0.54 0.23 0.00 0.00 176.35 175.52 2ubp s LYS 326 N -4.76 1.25 0.00 1.70 3.01 -1.26 -4.81 119.74 114.88 2ubp s LYS 326 Ca 0.59 -0.22 0.07 0.00 -1.01 0.00 0.00 55.97 55.40 2ubp s LYS 326 Cb -0.14 -1.21 0.36 0.00 -1.01 0.00 0.00 37.83 35.83 2ubp s LYS 326 CO 0.49 -0.11 1.05 1.04 0.51 0.00 0.00 175.35 178.33 2ubp n GLN 327 N 4.29 0.11 0.03 1.68 6.02 -1.26 -1.24 117.38 127.01 2ubp n GLN 327 Ca -0.20 0.19 -0.17 0.00 -0.01 0.00 0.00 57.00 56.81 2ubp n GLN 327 Cb 0.51 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.13 2ubp n GLN 327 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 2ubp h ASN 328 N 0.00 0.36 -3.59 1.08 7.08 -2.02 -3.45 115.58 115.04 2ubp h ASN 328 Ca 0.00 -0.61 -0.61 0.00 -3.08 0.00 0.00 56.30 51.99 2ubp h ASN 328 Cb 0.06 -0.12 -0.12 0.00 -2.08 0.00 0.00 38.32 36.06 2ubp h ASN 328 CO 0.00 1.53 0.43 -0.63 -2.08 0.00 0.00 177.43 176.68 2ubp s ILE 329 N -2.59 4.64 0.34 6.14 1.01 -0.37 -4.96 121.20 125.40 2ubp s ILE 329 Ca -0.13 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.28 2ubp s ILE 329 Cb 0.07 -4.31 0.31 0.00 0.01 0.00 0.00 42.46 38.54 2ubp s ILE 329 CO 0.83 -0.63 1.89 -0.65 0.00 0.00 0.00 174.94 176.37 2ubp h PRO 330 N 8.80 0.76 -0.71 2.79 0.11 -1.87 -1.49 132.00 140.40 2ubp h PRO 330 Ca -0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2ubp h PRO 330 Cb 1.09 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2ubp h PRO 330 CO 0.96 0.50 0.24 0.93 -0.21 0.00 0.00 178.00 180.42 2ubp h GLU 331 N 0.78 1.08 -0.93 1.05 3.07 -1.93 0.14 114.58 117.84 2ubp h GLU 331 Ca 0.41 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 59.10 2ubp h GLU 331 Cb 0.53 -0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 2ubp h GLU 331 CO -0.18 0.91 0.61 -0.44 -1.40 0.00 0.00 179.01 178.51 2ubp h ASP 332 N 1.04 1.01 0.53 1.42 3.32 -1.55 0.15 116.42 122.33 2ubp h ASP 332 Ca 0.23 -0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.98 2ubp h ASP 332 Cb 0.26 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2ubp h ASP 332 CO -0.01 0.69 -1.40 0.58 -1.72 0.00 0.00 179.24 177.38 2ubp h VAL 333 N 1.17 1.32 -0.83 -1.35 2.07 -1.14 -0.75 116.25 116.74 2ubp h VAL 333 Ca 0.37 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.98 2ubp h VAL 333 Cb 0.02 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 2ubp h VAL 333 CO -0.11 0.85 0.52 0.00 0.02 0.00 0.00 177.57 178.85 2ubp h ALA 334 N 0.52 1.05 0.05 1.67 0.00 -0.57 0.14 119.26 122.12 2ubp h ALA 334 Ca -0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2ubp h ALA 334 Cb 2.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2ubp h ALA 334 CO 0.19 0.49 -0.09 0.35 0.00 0.00 0.00 179.25 180.19 2ubp h PHE 335 N 1.13 -0.22 -0.51 0.00 3.57 -0.32 -0.01 116.94 120.58 2ubp h PHE 335 Ca 0.30 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.84 2ubp h PHE 335 Cb -0.08 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2ubp h PHE 335 CO -0.01 -0.13 0.27 0.00 -2.23 0.00 0.00 178.31 176.21 2ubp h ALA 336 N 0.76 0.65 -0.16 2.41 0.00 -0.95 -2.07 119.26 119.91 2ubp h ALA 336 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ubp h ALA 336 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ubp h ALA 336 CO -0.05 -0.06 -0.11 -0.44 0.00 0.00 0.00 179.25 178.59 2ubp h ASP 337 N 0.53 0.23 1.55 0.00 3.32 -0.72 -0.87 116.42 120.47 2ubp h ASP 337 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2ubp h ASP 337 Cb 0.10 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2ubp h ASP 337 CO -0.14 0.37 0.00 0.77 -1.72 0.00 0.00 179.24 178.52 2ubp h SER 338 N 0.23 0.00 0.00 6.45 4.64 -0.35 -3.36 113.55 121.16 2ubp h SER 338 Ca 0.05 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.99 2ubp h SER 338 Cb 0.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 2ubp h SER 338 CO 0.02 0.00 -2.42 -1.14 -0.87 0.00 0.00 176.83 172.42 2ubp n ARG 339 N -2.90 0.68 -3.44 4.77 0.63 -0.45 -4.58 116.66 111.37 2ubp n ARG 339 Ca 0.03 0.09 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 2ubp n ARG 339 Cb 0.43 -1.51 -0.07 0.00 0.45 0.00 0.00 32.46 31.76 2ubp n ARG 339 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2ubp s ILE 340 N -2.50 4.75 -0.10 5.15 -1.09 -0.50 -3.92 121.20 122.99 2ubp s ILE 340 Ca -0.25 -1.51 0.01 0.00 -2.23 0.00 0.00 60.65 56.67 2ubp s ILE 340 Cb 0.08 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2ubp s ILE 340 CO 0.68 -0.74 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.39 2ubp s ARG 341 N 1.50 1.89 0.36 2.79 0.52 -1.26 -4.76 118.95 120.00 2ubp s ARG 341 Ca 0.04 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 2ubp s ARG 341 Cb -0.27 -1.67 0.68 0.00 0.52 0.00 0.00 34.95 34.22 2ubp s ARG 341 CO 0.02 -0.09 1.95 -1.00 0.02 0.00 0.00 175.30 176.21 2ubp h PRO 342 N 7.47 0.58 -0.53 3.54 0.13 -1.96 -2.26 132.00 138.95 2ubp h PRO 342 Ca -0.31 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2ubp h PRO 342 Cb 1.17 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2ubp h PRO 342 CO 0.47 0.50 0.12 0.93 -0.23 0.00 0.00 178.00 179.78 2ubp h GLU 343 N 0.57 0.85 0.11 0.86 3.07 -1.92 -1.60 114.58 116.53 2ubp h GLU 343 Ca 0.14 -0.21 -0.27 0.00 -0.50 0.00 0.00 59.36 58.52 2ubp h GLU 343 Cb 0.15 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2ubp h GLU 343 CO -0.01 0.82 -1.23 1.79 -1.40 0.00 0.00 179.01 178.97 2ubp h THR 344 N 0.75 1.50 -0.28 1.13 1.35 -1.71 -2.94 112.91 112.71 2ubp h THR 344 Ca 0.17 -3.10 -0.05 0.00 -0.55 0.00 0.00 66.41 62.87 2ubp h THR 344 Cb 0.35 2.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 2ubp h THR 344 CO 0.00 0.90 -0.04 0.40 -0.25 0.00 0.00 175.52 176.53 2ubp h ILE 345 N 0.06 1.27 -0.66 6.82 2.04 -1.37 0.15 117.51 125.83 2ubp h ILE 345 Ca -0.12 -1.02 0.09 0.00 1.00 0.00 0.00 64.86 64.80 2ubp h ILE 345 Cb 1.95 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 2ubp h ILE 345 CO 0.19 0.33 0.31 0.00 0.00 0.00 0.00 178.15 178.97 2ubp h ALA 346 N 0.80 0.89 0.00 1.87 0.00 -1.40 -2.28 119.26 119.14 2ubp h ALA 346 Ca 0.07 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ubp h ALA 346 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ubp h ALA 346 CO 0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 179.25 178.85 2ubp h ALA 347 N 1.40 1.12 -0.25 0.00 0.00 -1.31 -2.48 119.26 117.75 2ubp h ALA 347 Ca 0.32 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2ubp h ALA 347 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ubp h ALA 347 CO -0.26 0.42 -0.18 1.49 0.00 0.00 0.00 179.25 180.71 2ubp h GLU 348 N 0.00 0.44 -0.07 0.00 4.81 -0.37 0.16 114.58 119.56 2ubp h GLU 348 Ca -0.00 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2ubp h GLU 348 Cb 0.75 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2ubp h GLU 348 CO 0.04 0.61 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.42 2ubp h ASP 349 N 0.40 -0.23 0.00 1.04 3.32 -1.31 -1.78 116.42 117.86 2ubp h ASP 349 Ca 0.07 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 2ubp h ASP 349 Cb 0.55 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2ubp h ASP 349 CO 0.04 -0.10 -0.52 0.40 -1.72 0.00 0.00 179.24 177.33 2ubp h ILE 350 N -0.10 1.32 -0.22 0.35 2.04 -1.39 -2.35 117.51 117.16 2ubp h ILE 350 Ca 0.05 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.12 2ubp h ILE 350 Cb 0.17 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2ubp h ILE 350 CO -0.13 0.55 -0.00 -0.07 0.00 0.00 0.00 178.15 178.50 2ubp h LEU 351 N 0.45 0.29 -0.17 1.44 3.38 -0.59 -0.19 115.31 119.92 2ubp h LEU 351 Ca 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2ubp h LEU 351 Cb 1.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2ubp h LEU 351 CO 0.10 0.35 0.02 0.45 0.09 0.00 0.00 178.44 179.45 2ubp h HIS 352 N 0.31 0.31 0.00 1.13 3.86 -1.02 0.19 115.15 119.93 2ubp h HIS 352 Ca 0.07 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2ubp h HIS 352 Cb 0.22 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 2ubp h HIS 352 CO 0.00 0.47 -0.11 0.22 0.86 0.00 0.00 177.93 179.38 2ubp h ASP 353 N 0.06 0.00 0.61 2.45 3.58 -0.77 -2.24 116.42 120.11 2ubp h ASP 353 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2ubp h ASP 353 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2ubp h ASP 353 CO 0.01 0.11 -0.36 0.18 -2.88 0.00 0.00 179.24 176.29 2ubp n LEU 354 N -4.20 0.40 0.00 2.28 4.77 -0.18 -4.94 117.00 115.13 2ubp n LEU 354 Ca -0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2ubp n LEU 354 Cb 0.19 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2ubp n LEU 354 CO 0.34 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2ubp n GLY 355 N 1.49 0.56 0.11 -0.72 0.00 -0.84 -4.79 105.19 100.99 2ubp n GLY 355 Ca 0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2ubp n GLY 355 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ubp n ILE 356 N -2.96 1.63 -3.68 -0.61 5.41 0.03 -2.76 119.36 116.42 2ubp n ILE 356 Ca 0.00 -0.74 -0.37 0.00 1.00 0.00 0.00 62.75 62.64 2ubp n ILE 356 Cb 0.11 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 37.71 2ubp n ILE 356 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2ubp s ILE 357 N -2.57 5.14 -0.33 1.39 1.01 -1.08 -4.80 121.20 119.96 2ubp s ILE 357 Ca -0.13 0.11 0.23 0.00 0.00 0.00 0.00 60.65 60.85 2ubp s ILE 357 Cb 0.07 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2ubp s ILE 357 CO 0.79 0.32 1.06 -1.20 0.00 0.00 0.00 174.94 175.92 2ubp n SER 358 N 4.59 0.76 -4.07 3.58 7.64 -0.85 -4.63 113.62 120.65 2ubp n SER 358 Ca -0.15 0.22 -0.08 0.00 1.01 0.00 0.00 58.87 59.88 2ubp n SER 358 Cb 0.52 0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 64.12 2ubp n SER 358 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2ubp s MET 359 N -3.32 0.54 0.31 1.43 -1.94 -1.01 -4.06 119.30 111.25 2ubp s MET 359 Ca 0.01 -1.08 0.11 0.00 -1.71 0.00 0.00 55.69 53.02 2ubp s MET 359 Cb 0.11 0.18 -0.06 0.00 2.01 0.00 0.00 34.83 37.07 2ubp s MET 359 CO 0.78 -0.09 -0.15 -1.64 -0.01 0.00 0.00 175.02 173.91 2ubp s MET 360 N -3.34 1.76 0.21 2.03 1.00 -0.11 -0.88 119.30 119.96 2ubp s MET 360 Ca 0.02 -1.85 -0.22 0.00 0.00 0.00 0.00 55.69 53.63 2ubp s MET 360 Cb 0.04 -1.74 0.06 0.00 0.00 0.00 0.00 34.83 33.19 2ubp s MET 360 CO -0.08 0.24 0.94 -1.54 0.00 0.00 0.00 175.02 174.58 2ubp s SER 361 N -3.56 -0.10 -0.22 3.03 1.04 -0.53 -4.72 113.70 108.63 2ubp s SER 361 Ca 0.31 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 55.98 2ubp s SER 361 Cb -0.01 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.57 2ubp s SER 361 CO 0.16 -1.08 -0.25 0.35 0.98 0.00 0.00 173.24 173.40 2ubp n THR 362 N -0.55 1.51 -2.30 2.02 -2.24 -1.26 -2.54 114.28 108.92 2ubp n THR 362 Ca -0.05 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2ubp n THR 362 Cb 0.60 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 2ubp n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ubp n ASP 363 N -4.39 -2.11 -4.62 3.42 -0.08 -0.18 -2.80 116.55 105.80 2ubp n ASP 363 Ca -0.33 -0.03 -0.63 0.00 -1.51 0.00 0.00 54.79 52.28 2ubp n ASP 363 Cb 0.67 -1.18 -0.10 0.00 2.34 0.00 0.00 41.12 42.86 2ubp n ASP 363 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ubp n ALA 364 N -1.83 -0.62 -1.00 -1.67 0.00 -1.14 -1.18 120.51 113.06 2ubp n ALA 364 Ca -0.02 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 2ubp n ALA 364 Cb 0.52 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.91 2ubp n ALA 364 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ubp n LEU 365 N 5.40 0.69 -0.01 0.00 4.77 -0.53 -3.43 117.00 123.89 2ubp n LEU 365 Ca 0.36 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2ubp n LEU 365 Cb 0.00 -1.91 -0.01 0.00 -2.33 0.00 0.00 43.42 39.17 2ubp n LEU 365 CO 0.87 -0.70 -0.59 0.00 -1.33 0.00 0.00 177.39 175.63 2ubp n ALA 366 N 1.00 1.94 -2.68 -1.18 0.00 -0.32 -4.87 120.51 114.40 2ubp n ALA 366 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 2ubp n ALA 366 Cb 0.35 0.41 0.06 0.00 0.00 0.00 0.00 19.45 20.28 2ubp n ALA 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2ubp n MET 367 N -2.54 0.65 -3.61 0.00 1.56 -0.81 -5.01 117.12 107.35 2ubp n MET 367 Ca -0.05 -1.26 -0.04 0.00 -0.27 0.00 0.00 57.70 56.08 2ubp n MET 367 Cb 0.56 -0.18 -0.02 0.00 2.15 0.00 0.00 33.22 35.73 2ubp n MET 367 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2ubp s GLY 368 N -0.69 -0.21 -0.26 -5.12 0.00 -0.82 -4.55 107.32 95.68 2ubp s GLY 368 Ca 0.15 1.89 -0.08 0.00 0.00 0.00 0.00 44.72 46.68 2ubp s GLY 368 CO -0.07 0.67 0.09 0.50 0.00 0.00 0.00 173.10 174.29 2ubp s ARG 369 N -2.04 3.57 0.54 2.90 0.52 -1.24 -1.45 118.95 121.76 2ubp s ARG 369 Ca 0.09 -0.54 0.22 0.00 -0.52 0.00 0.00 55.73 54.99 2ubp s ARG 369 Cb -0.01 -3.38 1.41 0.00 0.52 0.00 0.00 34.95 33.49 2ubp s ARG 369 CO -0.04 -0.25 2.08 0.00 0.02 0.00 0.00 175.30 177.11 2ubp h ALA 370 N 8.26 2.16 -0.24 2.13 0.00 -1.92 -2.27 119.26 127.38 2ubp h ALA 370 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ubp h ALA 370 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ubp h ALA 370 CO 0.58 -0.32 -0.00 0.41 0.00 0.00 0.00 179.25 179.93 2ubp n GLY 371 N -1.55 4.17 0.17 0.00 0.00 -1.26 -4.01 105.19 102.71 2ubp n GLY 371 Ca 0.03 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.02 2ubp n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ubp n GLU 372 N -0.64 1.04 -0.02 1.61 1.02 -0.85 -4.65 120.64 118.15 2ubp n GLU 372 Ca 0.22 -1.60 -0.13 0.00 -0.02 0.00 0.00 57.16 55.63 2ubp n GLU 372 Cb 0.88 -0.96 -0.08 0.00 -0.02 0.00 0.00 31.44 31.25 2ubp n GLU 372 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2ubp h MET 373 N 0.00 0.09 -0.17 3.49 4.05 -1.83 -1.64 114.93 118.92 2ubp h MET 373 Ca 0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2ubp h MET 373 Cb 1.02 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2ubp h MET 373 CO 0.00 0.44 -0.02 0.28 0.23 0.00 0.00 176.91 177.83 2ubp h VAL 374 N -0.27 1.27 -0.27 -5.77 2.07 -1.87 -2.49 116.25 108.92 2ubp h VAL 374 Ca 0.01 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.66 2ubp h VAL 374 Cb 0.40 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2ubp h VAL 374 CO 0.00 0.28 -0.31 0.25 0.02 0.00 0.00 177.57 177.81 2ubp h LEU 375 N 0.04 -1.01 -0.72 2.57 5.85 -1.56 -2.60 115.31 117.88 2ubp h LEU 375 Ca 0.05 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ubp h LEU 375 Cb 0.44 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2ubp h LEU 375 CO 0.01 -0.33 -0.35 0.03 -0.34 0.00 0.00 178.44 177.46 2ubp h ARG 376 N -0.31 0.00 -0.30 1.25 3.08 -1.30 -2.58 114.38 114.21 2ubp h ARG 376 Ca 0.14 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2ubp h ARG 376 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2ubp h ARG 376 CO -0.44 0.35 0.03 1.15 -1.07 0.00 0.00 179.97 179.98 2ubp h THR 377 N 0.00 0.82 -0.12 2.04 2.02 -1.06 -1.79 112.91 114.81 2ubp h THR 377 Ca -0.00 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 2ubp h THR 377 Cb 0.98 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2ubp h THR 377 CO 0.05 0.02 -0.73 -0.50 0.37 0.00 0.00 175.52 174.73 2ubp h TRP 378 N 0.12 0.78 -1.01 3.16 4.06 -1.31 -1.55 115.95 120.21 2ubp h TRP 378 Ca 0.14 -0.34 0.01 0.00 2.06 0.00 0.00 58.89 60.77 2ubp h TRP 378 Cb 0.17 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.16 2ubp h TRP 378 CO -0.20 1.12 0.67 1.96 -3.56 0.00 0.00 178.44 178.43 2ubp h GLN 379 N 0.40 1.32 0.07 0.49 4.20 -1.48 -0.21 115.11 119.89 2ubp h GLN 379 Ca -0.03 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2ubp h GLN 379 Cb 1.32 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2ubp h GLN 379 CO 0.14 0.87 -0.03 1.15 -0.67 0.00 0.00 178.83 180.29 2ubp h THR 380 N 1.36 1.02 -0.79 -0.54 2.02 -1.14 -1.11 112.91 113.73 2ubp h THR 380 Ca 0.37 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.29 2ubp h THR 380 Cb -0.14 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2ubp h THR 380 CO -0.09 0.08 0.49 0.00 0.37 0.00 0.00 175.52 176.37 2ubp h ALA 381 N 0.69 1.06 -0.84 6.16 0.00 -0.97 -1.53 119.26 123.83 2ubp h ALA 381 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ubp h ALA 381 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2ubp h ALA 381 CO 0.02 0.25 0.44 0.22 0.00 0.00 0.00 179.25 180.17 2ubp h ASP 382 N 0.92 1.07 -0.26 0.00 3.58 -0.98 -1.67 116.42 119.08 2ubp h ASP 382 Ca 0.33 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 2ubp h ASP 382 Cb 0.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2ubp h ASP 382 CO -0.15 0.88 -0.02 0.50 -2.88 0.00 0.00 179.24 177.58 2ubp h LYS 383 N 1.18 0.48 -0.84 0.28 3.64 -0.68 -2.46 116.57 118.17 2ubp h LYS 383 Ca 0.29 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2ubp h LYS 383 Cb 0.07 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2ubp h LYS 383 CO -0.04 0.66 0.50 0.52 -2.27 0.00 0.00 179.45 178.82 2ubp h MET 384 N 0.25 1.14 -0.29 1.90 2.86 -1.22 -0.79 114.93 118.78 2ubp h MET 384 Ca 0.07 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2ubp h MET 384 Cb 0.46 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2ubp h MET 384 CO 0.02 0.80 0.18 -0.22 1.06 0.00 0.00 176.91 178.75 2ubp h LYS 385 N 1.16 0.39 -0.76 1.72 3.64 -1.11 0.44 116.57 122.06 2ubp h LYS 385 Ca 0.30 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2ubp h LYS 385 Cb -0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2ubp h LYS 385 CO -0.06 0.30 0.33 0.87 -2.27 0.00 0.00 179.45 178.63 2ubp h LYS 386 N 0.37 1.11 0.02 1.90 1.57 -1.24 0.16 116.57 120.45 2ubp h LYS 386 Ca 0.10 -0.18 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 2ubp h LYS 386 Cb 0.01 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 2ubp h LYS 386 CO -0.02 0.88 -1.80 1.04 -0.57 0.00 0.00 179.45 178.97 2ubp n GLN 387 N -4.30 0.65 0.00 3.15 6.02 -0.32 -4.42 117.38 118.16 2ubp n GLN 387 Ca 0.07 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.37 2ubp n GLN 387 Cb 0.16 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 2ubp n GLN 387 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ubp n ARG 388 N -3.08 3.65 -0.62 -1.09 1.74 0.15 -5.07 116.66 112.35 2ubp n ARG 388 Ca -0.20 -0.20 0.08 0.00 -0.77 0.00 0.00 57.85 56.76 2ubp n ARG 388 Cb 1.06 -0.92 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 2ubp n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ubp n GLY 389 N 1.04 -2.55 3.69 -0.13 0.00 0.55 -4.82 105.19 102.97 2ubp n GLY 389 Ca 0.02 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2ubp n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ubp n PRO 390 N -3.16 1.97 -1.42 1.61 -0.02 -1.26 -4.66 135.00 128.06 2ubp n PRO 390 Ca -0.03 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2ubp n PRO 390 Cb 0.29 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2ubp n PRO 390 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ubp n LEU 391 N 0.48 5.25 -0.34 2.45 4.77 -1.26 -4.88 117.00 123.46 2ubp n LEU 391 Ca 0.06 0.71 0.06 0.00 -0.03 0.00 0.00 56.01 56.81 2ubp n LEU 391 Cb 0.38 -1.53 0.24 0.00 -2.33 0.00 0.00 43.42 40.18 2ubp n LEU 391 CO 0.60 -1.34 1.24 0.00 -1.33 0.00 0.00 177.39 176.56 2ubp h ALA 392 N -0.17 1.53 0.00 -1.18 0.00 -1.97 -2.43 119.26 115.04 2ubp h ALA 392 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ubp h ALA 392 Cb 1.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ubp h ALA 392 CO 0.49 0.26 0.00 0.39 0.00 0.00 0.00 179.25 180.40 2ubp n GLU 393 N -4.56 0.28 -1.24 0.00 4.71 -1.26 -4.86 120.64 113.71 2ubp n GLU 393 Ca 0.17 0.10 -0.29 0.00 -0.01 0.00 0.00 57.16 57.13 2ubp n GLU 393 Cb 0.30 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.42 2ubp n GLU 393 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ubp s GLU 394 N -2.34 0.12 0.00 3.49 0.41 -0.92 -4.87 118.70 114.60 2ubp s GLU 394 Ca 0.15 0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 2ubp s GLU 394 Cb 0.09 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 2ubp s GLU 394 CO 0.18 -2.89 0.00 1.63 -0.49 0.00 0.00 175.26 173.69 2ubp n LYS 395 N -4.24 0.00 0.00 1.61 5.02 -1.26 -5.05 118.16 114.24 2ubp n LYS 395 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2ubp n LYS 395 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2ubp n LYS 395 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ubp n ASN 396 N 0.00 0.00 -0.30 4.39 4.13 -1.26 -4.76 115.26 117.47 2ubp n ASN 396 Ca 0.00 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.34 2ubp n ASN 396 Cb 0.00 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.40 2ubp n ASN 396 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ubp n GLY 397 N 3.50 4.84 3.86 7.41 0.00 -1.26 -5.05 105.19 118.49 2ubp n GLY 397 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 2ubp n GLY 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ubp s SER 398 N -2.96 6.66 -0.35 1.61 1.04 -1.26 -4.75 113.70 113.69 2ubp s SER 398 Ca 0.34 1.23 0.08 0.00 0.48 0.00 0.00 55.95 58.08 2ubp s SER 398 Cb 0.31 -2.36 0.66 0.00 0.10 0.00 0.00 66.02 64.73 2ubp s SER 398 CO -0.01 -0.30 1.74 0.47 0.98 0.00 0.00 173.24 176.12 2ubp n ASP 399 N -0.81 3.93 -0.36 7.02 8.00 0.12 -4.17 116.55 130.28 2ubp n ASP 399 Ca 0.03 -3.44 0.01 0.00 0.71 0.00 0.00 54.79 52.10 2ubp n ASP 399 Cb 0.54 -0.74 0.15 0.00 -0.02 0.00 0.00 41.12 41.05 2ubp n ASP 399 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2ubp h ASN 400 N 1.72 1.02 0.44 -2.24 4.21 -1.92 -0.37 115.58 118.44 2ubp h ASN 400 Ca 0.35 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.85 2ubp h ASN 400 Cb 2.30 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 39.29 2ubp h ASN 400 CO 0.74 0.67 -0.21 0.15 -1.29 0.00 0.00 177.43 177.49 2ubp h PHE 401 N 1.17 -0.54 -0.81 1.19 3.57 -1.89 -1.53 116.94 118.09 2ubp h PHE 401 Ca 0.41 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.97 2ubp h PHE 401 Cb 0.11 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2ubp h PHE 401 CO -0.01 -0.28 0.48 -0.09 -2.23 0.00 0.00 178.31 176.19 2ubp h ARG 402 N -0.70 0.84 -0.68 1.11 2.43 -1.86 -1.50 114.38 114.01 2ubp h ARG 402 Ca -0.06 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2ubp h ARG 402 Cb 0.51 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2ubp h ARG 402 CO 0.10 0.56 0.37 -0.07 -1.51 0.00 0.00 179.97 179.42 2ubp h LEU 403 N 0.86 0.84 -0.20 3.80 3.38 -0.92 0.22 115.31 123.30 2ubp h LEU 403 Ca 0.37 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2ubp h LEU 403 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ubp h LEU 403 CO -0.20 0.68 -0.93 0.11 0.09 0.00 0.00 178.44 178.19 2ubp h LYS 404 N 0.95 0.29 -0.51 1.13 1.57 -0.99 0.80 116.57 119.81 2ubp h LYS 404 Ca 0.24 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2ubp h LYS 404 Cb 0.02 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2ubp h LYS 404 CO -0.04 1.04 0.23 -0.09 -0.57 0.00 0.00 179.45 180.02 2ubp h ARG 405 N 0.16 0.75 0.15 3.15 2.43 -0.77 -2.51 114.38 117.75 2ubp h ARG 405 Ca -0.07 -0.12 -0.29 0.00 -0.81 0.00 0.00 59.98 58.69 2ubp h ARG 405 Cb 1.57 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 31.01 2ubp h ARG 405 CO 0.15 0.65 -1.29 1.88 -1.51 0.00 0.00 179.97 179.85 2ubp h TYR 406 N 0.69 0.61 -0.24 2.20 -1.99 -0.41 -3.29 116.97 114.54 2ubp h TYR 406 Ca 0.17 -0.44 -0.03 0.00 2.00 0.00 0.00 58.73 60.43 2ubp h TYR 406 Cb 0.16 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 2ubp h TYR 406 CO -0.00 1.34 0.01 -0.24 -0.00 0.00 0.00 178.16 179.27 2ubp h VAL 407 N 0.09 1.15 0.00 -2.88 3.04 -0.85 -1.09 116.25 115.71 2ubp h VAL 407 Ca -0.16 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2ubp h VAL 407 Cb 2.01 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2ubp h VAL 407 CO 0.22 0.19 -0.02 0.28 -1.01 0.00 0.00 177.57 177.24 2ubp h SER 408 N 0.35 0.00 0.40 3.17 0.02 -1.51 -2.72 113.55 113.26 2ubp h SER 408 Ca 0.08 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2ubp h SER 408 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2ubp h SER 408 CO 0.00 0.02 -0.32 0.11 -1.14 0.00 0.00 176.83 175.50 2ubp h LYS 409 N 0.00 0.00 -0.03 3.45 1.57 -1.26 -2.14 116.57 118.16 2ubp h LYS 409 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ubp h LYS 409 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2ubp h LYS 409 CO 0.00 0.32 0.00 2.48 -0.57 0.00 0.00 179.45 181.68 2ubp n TYR 410 N -4.00 0.04 0.00 -1.35 0.18 -1.09 -0.93 117.16 110.01 2ubp n TYR 410 Ca -0.02 -0.48 0.00 0.00 1.88 0.00 0.00 57.90 59.28 2ubp n TYR 410 Cb 0.38 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 2ubp n TYR 410 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2ubp n THR 411 N -0.39 0.00 0.05 -3.48 -2.24 -1.05 -0.38 114.28 106.79 2ubp n THR 411 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2ubp n THR 411 Cb 0.26 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2ubp n THR 411 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2ubp h ILE 412 N 0.00 1.35 -0.42 2.28 6.09 -1.36 -3.20 117.51 122.24 2ubp h ILE 412 Ca 0.00 -2.29 -0.04 0.00 -1.37 0.00 0.00 64.86 61.17 2ubp h ILE 412 Cb 0.00 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.58 2ubp h ILE 412 CO 0.00 0.70 0.12 0.78 -3.07 0.00 0.00 178.15 176.68 2ubp h ASN 413 N 0.33 0.62 -0.88 2.19 2.35 -1.68 -0.27 115.58 118.24 2ubp h ASN 413 Ca -0.08 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2ubp h ASN 413 Cb 1.56 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.71 2ubp h ASN 413 CO 0.17 0.67 0.58 -0.65 -1.65 0.00 0.00 177.43 176.55 2ubp h PRO 414 N 0.54 1.07 -0.03 0.81 0.11 -1.79 0.15 132.00 132.85 2ubp h PRO 414 Ca 0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2ubp h PRO 414 Cb 0.28 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 2ubp h PRO 414 CO -0.00 0.71 0.01 0.00 -0.21 0.00 0.00 178.00 178.50 2ubp h ALA 415 N 1.49 0.04 -0.30 -0.75 0.00 -1.44 -2.00 119.26 116.29 2ubp h ALA 415 Ca 0.35 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2ubp h ALA 415 Cb 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2ubp h ALA 415 CO -0.10 -0.34 0.01 0.82 0.00 0.00 0.00 179.25 179.64 2ubp h ILE 416 N -0.20 0.79 -0.37 0.00 2.04 -0.75 -0.46 117.51 118.56 2ubp h ILE 416 Ca 0.01 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ubp h ILE 416 Cb 0.25 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2ubp h ILE 416 CO 0.00 0.02 0.25 0.00 0.00 0.00 0.00 178.15 178.41 2ubp h ALA 417 N 1.26 1.83 -0.01 1.87 0.00 -0.77 -2.70 119.26 120.74 2ubp h ALA 417 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ubp h ALA 417 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ubp h ALA 417 CO -0.24 0.13 -0.51 1.04 0.00 0.00 0.00 179.25 179.67 2ubp n GLN 418 N -4.48 1.01 -0.57 0.00 1.13 -0.77 -4.71 117.38 108.99 2ubp n GLN 418 Ca 0.03 -0.82 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 2ubp n GLN 418 Cb 0.13 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2ubp n GLN 418 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ubp n GLY 419 N 1.42 1.24 0.03 1.08 0.00 -0.63 -4.67 105.19 103.67 2ubp n GLY 419 Ca 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2ubp n GLY 419 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ubp n ILE 420 N -2.12 0.68 0.89 -0.61 -5.35 -0.28 -1.72 119.36 110.86 2ubp n ILE 420 Ca 0.00 -0.71 0.10 0.00 -0.27 0.00 0.00 62.75 61.86 2ubp n ILE 420 Cb 0.12 0.61 0.49 0.00 -1.74 0.00 0.00 39.64 39.11 2ubp n ILE 420 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ubp n ALA 421 N -0.38 2.02 0.19 -1.28 0.00 -1.09 -1.15 120.51 118.82 2ubp n ALA 421 Ca 0.01 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2ubp n ALA 421 Cb 0.39 -1.32 0.33 0.00 0.00 0.00 0.00 19.45 18.85 2ubp n ALA 421 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2ubp h HIS 422 N 0.00 0.00 0.00 0.00 2.07 -1.90 -3.36 115.15 111.96 2ubp h HIS 422 Ca 0.00 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.12 2ubp h HIS 422 Cb 0.21 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.12 2ubp h HIS 422 CO 0.00 0.38 -2.46 0.39 -3.07 0.00 0.00 177.93 173.17 2ubp n GLU 423 N -3.56 0.61 -4.18 5.12 -0.58 -0.30 -4.66 120.64 113.10 2ubp n GLU 423 Ca -0.00 0.18 -0.22 0.00 -0.42 0.00 0.00 57.16 56.70 2ubp n GLU 423 Cb 0.51 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 2ubp n GLU 423 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2ubp n VAL 424 N -3.56 0.00 0.00 2.62 0.24 -0.64 -0.32 118.33 116.67 2ubp n VAL 424 Ca -0.48 -2.23 0.00 0.00 -2.04 0.00 0.00 64.34 59.60 2ubp n VAL 424 Cb 0.94 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 2ubp n VAL 424 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ubp n GLY 425 N -0.59 0.27 3.48 7.63 0.00 -1.26 -4.25 105.19 110.47 2ubp n GLY 425 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2ubp n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ubp s SER 426 N -2.13 -0.55 -1.00 1.61 1.04 -1.26 -1.88 113.70 109.53 2ubp s SER 426 Ca 0.00 0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 2ubp s SER 426 Cb 0.00 0.52 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2ubp s SER 426 CO 0.00 -0.74 1.28 -0.63 0.98 0.00 0.00 173.24 174.13 2ubp s ILE 427 N -2.61 4.47 0.04 -1.02 1.01 -1.26 -4.90 121.20 116.93 2ubp s ILE 427 Ca -0.02 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.22 2ubp s ILE 427 Cb -0.01 -4.90 -0.03 0.00 0.01 0.00 0.00 42.46 37.54 2ubp s ILE 427 CO -0.04 -1.68 -0.05 -1.61 0.00 0.00 0.00 174.94 171.56 2ubp s GLU 428 N 3.40 0.47 0.30 2.79 2.02 -1.26 -4.99 118.70 121.43 2ubp s GLU 428 Ca 0.39 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 2ubp s GLU 428 Cb -0.03 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.03 2ubp s GLU 428 CO -0.08 -0.01 1.37 -1.21 0.02 0.00 0.00 175.26 175.35 2ubp s GLU 429 N -1.92 4.30 0.00 1.61 2.02 -1.26 -2.42 118.70 121.03 2ubp s GLU 429 Ca -0.09 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.18 2ubp s GLU 429 Cb -0.07 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2ubp s GLU 429 CO -0.02 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2ubp n GLY 430 N 1.33 0.67 3.77 -1.39 0.00 0.15 -5.01 105.19 104.71 2ubp n GLY 430 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2ubp n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ubp s LYS 431 N -0.75 2.75 0.38 1.61 1.02 -1.02 -4.87 119.74 118.87 2ubp s LYS 431 Ca 0.00 -1.10 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 2ubp s LYS 431 Cb 0.00 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.72 2ubp s LYS 431 CO 0.00 0.41 1.42 0.34 -0.92 0.00 0.00 175.35 176.60 2ubp n PHE 432 N -0.90 2.74 -2.06 3.18 7.35 0.56 -0.31 117.46 128.02 2ubp n PHE 432 Ca -0.08 0.47 -0.42 0.00 -0.76 0.00 0.00 57.45 56.66 2ubp n PHE 432 Cb 0.57 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.92 2ubp n PHE 432 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ubp n ALA 433 N 0.27 5.28 -3.19 3.13 0.00 -0.31 -4.63 120.51 121.05 2ubp n ALA 433 Ca 0.03 -4.06 -0.45 0.00 0.00 0.00 0.00 53.44 48.96 2ubp n ALA 433 Cb 0.39 -3.31 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 2ubp n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ubp s ASP 434 N 2.37 6.10 -0.03 0.00 1.01 -1.26 -2.02 116.67 122.85 2ubp s ASP 434 Ca 0.44 -1.64 0.02 0.00 0.71 0.00 0.00 52.55 52.08 2ubp s ASP 434 Cb 0.11 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.88 2ubp s ASP 434 CO -0.04 -0.76 -0.07 -0.76 0.21 0.00 0.00 175.17 173.76 2ubp s LEU 435 N 1.58 1.68 -0.18 1.23 1.43 -0.14 -2.65 118.68 121.64 2ubp s LEU 435 Ca 0.04 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2ubp s LEU 435 Cb -0.27 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2ubp s LEU 435 CO 0.04 0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.86 2ubp s VAL 436 N 0.36 3.09 -0.12 -1.59 1.01 0.38 0.11 120.40 123.64 2ubp s VAL 436 Ca -0.05 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2ubp s VAL 436 Cb -0.09 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2ubp s VAL 436 CO 0.00 0.48 0.35 -0.76 0.00 0.00 0.00 175.10 175.17 2ubp s LEU 437 N 1.01 4.31 -0.06 3.92 1.02 -0.08 -1.45 118.68 127.34 2ubp s LEU 437 Ca -0.01 0.67 0.03 0.00 0.02 0.00 0.00 54.13 54.84 2ubp s LEU 437 Cb -0.15 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.60 2ubp s LEU 437 CO -0.01 0.14 -0.16 0.26 0.02 0.00 0.00 176.35 176.60 2ubp s TRP 438 N 0.11 1.68 0.33 0.29 0.52 0.09 -0.71 118.94 121.24 2ubp s TRP 438 Ca 0.20 -0.58 -0.29 0.00 0.02 0.00 0.00 56.10 55.46 2ubp s TRP 438 Cb -0.14 -1.17 -0.11 0.00 -1.15 0.00 0.00 33.47 30.90 2ubp s TRP 438 CO 0.07 -0.25 1.40 -1.21 0.02 0.00 0.00 176.95 176.99 2ubp s GLU 439 N 0.37 4.25 0.27 4.98 2.02 -1.26 -1.03 118.70 128.29 2ubp s GLU 439 Ca -0.11 2.36 -0.01 0.00 0.02 0.00 0.00 54.97 57.24 2ubp s GLU 439 Cb -0.14 -3.04 0.51 0.00 0.10 0.00 0.00 34.13 31.55 2ubp s GLU 439 CO 0.04 -0.36 1.81 -1.35 0.02 0.00 0.00 175.26 175.42 2ubp h PRO 440 N 3.67 0.84 0.00 0.39 0.11 -1.91 0.90 132.00 136.00 2ubp h PRO 440 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2ubp h PRO 440 Cb 1.23 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2ubp h PRO 440 CO 0.68 0.56 -0.07 1.57 -0.21 0.00 0.00 178.00 180.53 2ubp h LYS 441 N 0.87 0.00 -0.42 1.05 2.10 -1.88 -0.88 116.57 117.40 2ubp h LYS 441 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2ubp h LYS 441 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2ubp h LYS 441 CO -0.28 0.07 0.00 1.19 -2.00 0.00 0.00 179.45 178.43 2ubp n PHE 442 N -3.88 0.66 -1.70 0.07 3.72 0.14 -4.47 117.46 112.00 2ubp n PHE 442 Ca -0.02 -0.55 -0.44 0.00 -0.05 0.00 0.00 57.45 56.39 2ubp n PHE 442 Cb 0.16 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2ubp n PHE 442 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2ubp n PHE 443 N 0.63 2.52 -0.60 1.38 7.35 -0.22 -0.85 117.46 127.66 2ubp n PHE 443 Ca 0.16 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 2ubp n PHE 443 Cb 0.54 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.79 2ubp n PHE 443 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ubp n GLY 444 N 3.01 1.14 0.10 7.13 0.00 -1.26 -4.36 105.19 110.94 2ubp n GLY 444 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2ubp n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ubp n VAL 445 N -2.00 0.59 -3.73 1.61 0.31 -0.03 -2.98 118.33 112.09 2ubp n VAL 445 Ca 0.00 0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 64.45 2ubp n VAL 445 Cb 0.00 -1.80 -0.18 0.00 -0.91 0.00 0.00 33.84 30.96 2ubp n VAL 445 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ubp s LYS 446 N -1.73 0.36 0.37 5.55 1.02 -1.03 -4.65 119.74 119.63 2ubp s LYS 446 Ca -0.11 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.78 2ubp s LYS 446 Cb 0.01 -0.89 -0.09 0.00 -0.52 0.00 0.00 37.83 36.34 2ubp s LYS 446 CO 0.16 -0.34 1.29 0.00 -0.92 0.00 0.00 175.35 175.54 2ubp s ALA 447 N 2.04 3.34 -0.01 5.17 0.00 -0.54 -4.77 121.76 126.99 2ubp s ALA 447 Ca 0.05 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 2ubp s ALA 447 Cb -0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2ubp s ALA 447 CO -0.05 -0.71 0.61 0.22 0.00 0.00 0.00 175.76 175.83 2ubp h ASP 448 N 2.97 -0.29 -3.55 0.00 3.58 -1.27 -3.37 116.42 114.48 2ubp h ASP 448 Ca -0.49 0.01 -0.30 0.00 0.42 0.00 0.00 57.03 56.67 2ubp h ASP 448 Cb 1.24 0.08 -0.33 0.00 1.72 0.00 0.00 39.33 42.03 2ubp h ASP 448 CO 0.64 -0.06 -0.73 -0.13 -2.88 0.00 0.00 179.24 176.07 2ubp s ARG 449 N -2.84 0.05 -0.32 0.28 0.52 -1.12 -1.59 118.95 113.93 2ubp s ARG 449 Ca -0.05 0.13 -0.08 0.00 -0.52 0.00 0.00 55.73 55.21 2ubp s ARG 449 Cb 0.01 -0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.22 2ubp s ARG 449 CO 0.15 -0.13 0.12 0.08 0.02 0.00 0.00 175.30 175.53 2ubp s VAL 450 N 0.90 4.13 -0.13 3.52 1.01 0.31 -0.90 120.40 129.23 2ubp s VAL 450 Ca -0.08 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2ubp s VAL 450 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2ubp s VAL 450 CO -0.02 -0.02 0.38 -0.63 0.00 0.00 0.00 175.10 174.81 2ubp s ILE 451 N 1.51 5.24 -0.14 2.22 1.01 0.12 -0.36 121.20 130.79 2ubp s ILE 451 Ca 0.02 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.43 2ubp s ILE 451 Cb -0.18 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2ubp s ILE 451 CO 0.04 0.37 -0.16 -0.54 0.00 0.00 0.00 174.94 174.65 2ubp s LYS 452 N 0.47 2.41 -1.44 2.79 -0.14 0.03 -0.97 119.74 122.88 2ubp s LYS 452 Ca 0.21 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.10 2ubp s LYS 452 Cb -0.14 -2.13 0.08 0.00 -1.68 0.00 0.00 37.83 33.96 2ubp s LYS 452 CO 0.07 -0.18 0.70 0.41 -0.76 0.00 0.00 175.35 175.60 2ubp n GLY 453 N 4.58 -0.49 2.16 -3.33 0.00 -0.88 -1.96 105.19 105.27 2ubp n GLY 453 Ca -0.18 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ubp n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ubp n GLY 454 N -1.42 0.45 3.05 -0.02 0.00 -0.85 -4.33 105.19 102.06 2ubp n GLY 454 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2ubp n GLY 454 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ubp s ILE 455 N -1.88 0.96 0.21 -0.61 -1.09 -0.83 -4.99 121.20 112.98 2ubp s ILE 455 Ca 0.00 -0.47 -0.31 0.00 -2.23 0.00 0.00 60.65 57.64 2ubp s ILE 455 Cb 0.00 -0.83 -0.10 0.00 -1.58 0.00 0.00 42.46 39.95 2ubp s ILE 455 CO 0.00 0.29 1.50 -0.63 -1.23 0.00 0.00 174.94 174.87 2ubp s ILE 456 N 0.04 2.66 -0.13 2.92 1.01 -1.26 -0.79 121.20 125.63 2ubp s ILE 456 Ca -0.01 0.51 0.10 0.00 0.00 0.00 0.00 60.65 61.25 2ubp s ILE 456 Cb -0.08 -3.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.91 2ubp s ILE 456 CO 0.01 0.06 0.02 0.00 0.00 0.00 0.00 174.94 175.02 2ubp n ALA 457 N 3.13 1.67 -3.23 9.38 0.00 0.51 -2.46 120.51 129.51 2ubp n ALA 457 Ca 0.10 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2ubp n ALA 457 Cb 0.39 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 2ubp n ALA 457 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2ubp s TYR 458 N -2.32 -0.35 -0.05 0.00 5.04 -1.15 -0.22 117.35 118.31 2ubp s TYR 458 Ca -0.09 0.85 -0.17 0.00 -2.44 0.00 0.00 57.07 55.22 2ubp s TYR 458 Cb 0.04 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.50 2ubp s TYR 458 CO 0.51 -0.17 0.38 0.00 -1.34 0.00 0.00 175.55 174.93 2ubp s ALA 459 N 0.23 -0.97 -0.62 3.97 0.00 -0.51 -0.53 121.76 123.33 2ubp s ALA 459 Ca -0.01 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 2ubp s ALA 459 Cb -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2ubp s ALA 459 CO -0.00 -0.26 1.23 -0.65 0.00 0.00 0.00 175.76 176.08 2ubp s GLN 460 N -0.99 3.42 0.07 0.00 -1.52 -0.62 -0.82 119.66 119.19 2ubp s GLN 460 Ca -0.10 0.13 -0.10 0.00 -1.95 0.00 0.00 55.36 53.34 2ubp s GLN 460 Cb -0.04 -4.06 0.01 0.00 -0.22 0.00 0.00 33.01 28.69 2ubp s GLN 460 CO 0.04 -1.82 0.22 -1.50 -0.25 0.00 0.00 175.29 171.98 2ubp s ILE 461 N 5.23 0.12 0.00 1.08 2.07 -0.81 -4.84 121.20 124.05 2ubp s ILE 461 Ca 0.41 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 2ubp s ILE 461 Cb -0.08 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.39 2ubp s ILE 461 CO 0.23 -0.54 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 2ubp n GLY 462 N 0.28 1.63 3.63 1.50 0.00 0.96 -1.82 105.19 111.37 2ubp n GLY 462 Ca -0.17 -2.04 -0.61 0.00 0.00 0.00 0.00 46.02 43.21 2ubp n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ubp n ASP 463 N -1.33 1.71 0.21 1.61 2.03 0.01 -4.85 116.55 115.93 2ubp n ASP 463 Ca 0.00 0.99 0.15 0.00 0.52 0.00 0.00 54.79 56.45 2ubp n ASP 463 Cb 0.00 -1.03 0.65 0.00 -0.72 0.00 0.00 41.12 40.02 2ubp n ASP 463 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ubp h PRO 464 N 7.26 0.00 -0.01 -0.67 0.13 -1.91 -2.90 132.00 133.89 2ubp h PRO 464 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ubp h PRO 464 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2ubp h PRO 464 CO 0.99 0.00 -0.29 -1.13 -0.23 0.00 0.00 178.00 177.34 2ubp n SER 465 N -2.61 1.70 -4.90 1.44 3.41 -1.26 -4.98 113.62 106.41 2ubp n SER 465 Ca 0.01 -1.33 -0.29 0.00 -0.26 0.00 0.00 58.87 56.99 2ubp n SER 465 Cb 0.21 0.25 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2ubp n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ubp s ALA 466 N -2.38 2.75 0.30 7.33 0.00 -1.10 -4.98 121.76 123.68 2ubp s ALA 466 Ca 0.24 -0.64 0.12 0.00 0.00 0.00 0.00 51.96 51.68 2ubp s ALA 466 Cb 0.19 -2.92 0.50 0.00 0.00 0.00 0.00 23.12 20.88 2ubp s ALA 466 CO 0.50 -1.55 1.69 0.66 0.00 0.00 0.00 175.76 177.06 2ubp h SER 467 N -0.94 0.00 -4.95 0.00 4.64 -1.94 -3.44 113.55 106.92 2ubp h SER 467 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 2ubp h SER 467 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 2ubp h SER 467 CO 0.65 0.52 -0.65 0.27 -0.87 0.00 0.00 176.83 176.76 2ubp s ILE 468 N -3.79 0.38 -1.49 0.95 -4.36 -1.26 -5.08 121.20 106.55 2ubp s ILE 468 Ca -0.02 -1.96 0.28 0.00 -0.26 0.00 0.00 60.65 58.70 2ubp s ILE 468 Cb 0.13 -2.19 0.33 0.00 1.25 0.00 0.00 42.46 41.98 2ubp s ILE 468 CO 0.74 -0.37 1.75 -0.81 0.24 0.00 0.00 174.94 176.50 2ubp n PRO 469 N -0.21 0.53 0.11 0.37 -0.05 -1.26 -4.32 135.00 130.15 2ubp n PRO 469 Ca -0.05 -0.21 0.12 0.00 -0.05 0.00 0.00 63.50 63.31 2ubp n PRO 469 Cb 0.64 -1.50 0.03 0.00 -0.05 0.00 0.00 33.50 32.63 2ubp n PRO 469 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 2ubp h THR 470 N 0.52 0.00 -4.11 0.52 1.35 -1.90 0.27 112.91 109.56 2ubp h THR 470 Ca 0.00 -0.93 -0.55 0.00 -0.55 0.00 0.00 66.41 64.38 2ubp h THR 470 Cb 0.42 1.47 0.14 0.00 -1.73 0.00 0.00 68.15 68.46 2ubp h THR 470 CO 0.00 0.00 0.50 -2.84 -0.25 0.00 0.00 175.52 172.93 2ubp s PRO 471 N -3.33 2.69 0.60 4.72 0.02 -1.26 -4.70 135.00 133.74 2ubp s PRO 471 Ca 0.01 1.99 -0.18 0.00 0.02 0.00 0.00 61.00 62.84 2ubp s PRO 471 Cb 0.10 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 2ubp s PRO 471 CO 0.77 -1.47 1.16 -0.65 -0.33 0.00 0.00 177.00 176.48 2ubp s GLN 472 N -3.36 3.01 -0.19 5.54 -1.52 -1.26 -0.81 119.66 121.07 2ubp s GLN 472 Ca 0.81 1.64 -0.16 0.00 -1.95 0.00 0.00 55.36 55.70 2ubp s GLN 472 Cb -0.35 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.44 2ubp s GLN 472 CO 0.38 -1.13 0.42 -1.25 -0.25 0.00 0.00 175.29 173.45 2ubp s PRO 473 N -3.53 4.21 -0.22 2.91 0.04 -1.26 -4.16 135.00 132.98 2ubp s PRO 473 Ca 0.73 0.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 2ubp s PRO 473 Cb -0.26 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.77 2ubp s PRO 473 CO 0.34 -0.01 1.01 0.08 0.04 0.00 0.00 177.00 178.46 2ubp s VAL 474 N 1.19 4.71 0.14 -0.36 1.01 -1.26 -3.67 120.40 122.16 2ubp s VAL 474 Ca 0.21 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 64.01 2ubp s VAL 474 Cb -0.15 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2ubp s VAL 474 CO 0.08 -0.15 0.36 0.00 0.00 0.00 0.00 175.10 175.39 2ubp s MET 475 N 3.08 1.10 0.18 2.72 0.23 -0.76 -4.85 119.30 121.02 2ubp s MET 475 Ca 0.43 -0.87 -0.30 0.00 -1.03 0.00 0.00 55.69 53.91 2ubp s MET 475 Cb -0.15 0.44 -0.09 0.00 -1.53 0.00 0.00 34.83 33.50 2ubp s MET 475 CO 0.07 -0.42 1.34 0.20 -2.03 0.00 0.00 175.02 174.18 2ubp s GLY 476 N -2.86 2.33 0.01 3.16 0.00 -1.26 -1.93 107.32 106.76 2ubp s GLY 476 Ca 0.07 1.13 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 2ubp s GLY 476 CO -0.08 2.16 0.01 0.50 0.00 0.00 0.00 173.10 175.69 2ubp s ARG 477 N 0.14 0.21 0.28 2.90 0.52 -0.00 -4.96 118.95 118.04 2ubp s ARG 477 Ca 0.59 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.19 2ubp s ARG 477 Cb -0.37 0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.08 2ubp s ARG 477 CO 0.37 -0.04 1.23 1.03 0.02 0.00 0.00 175.30 177.91 2ubp s ARG 478 N -0.82 4.46 0.31 3.54 0.52 -1.26 -1.42 118.95 124.28 2ubp s ARG 478 Ca -0.09 2.03 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 2ubp s ARG 478 Cb -0.06 -3.14 0.03 0.00 0.52 0.00 0.00 34.95 32.31 2ubp s ARG 478 CO -0.00 -0.06 0.28 -1.33 0.02 0.00 0.00 175.30 174.20 2ubp n MET 479 N 1.35 0.98 0.31 3.54 2.81 0.69 -4.90 117.12 121.90 2ubp n MET 479 Ca 0.01 -1.87 0.17 0.00 -1.81 0.00 0.00 57.70 54.19 2ubp n MET 479 Cb 0.43 0.13 0.99 0.00 -0.71 0.00 0.00 33.22 34.06 2ubp n MET 479 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 2ubp h TYR 480 N 0.48 0.00 -0.00 2.03 0.05 -1.85 -1.72 116.97 115.94 2ubp h TYR 480 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2ubp h TYR 480 Cb 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 2ubp h TYR 480 CO 0.00 0.00 0.01 0.78 -1.05 0.00 0.00 178.16 177.90 2ubp h GLY 481 N 0.03 0.00 0.57 3.88 0.00 -1.78 -2.14 103.07 103.64 2ubp h GLY 481 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ubp h GLY 481 CO 0.00 0.00 -0.42 -1.30 0.00 0.00 0.00 176.54 174.82 2ubp n THR 482 N -3.53 0.00 -3.85 4.70 -2.24 -0.65 -2.51 114.28 106.20 2ubp n THR 482 Ca -0.03 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2ubp n THR 482 Cb 0.08 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 2ubp n THR 482 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ubp s VAL 483 N -2.78 5.43 0.00 2.28 1.01 -0.81 -4.56 120.40 120.98 2ubp s VAL 483 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2ubp s VAL 483 Cb 0.18 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2ubp s VAL 483 CO 0.63 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.82 2ubp n GLY 484 N 1.49 2.95 0.03 4.51 0.00 -1.26 -2.15 105.19 110.77 2ubp n GLY 484 Ca -0.15 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.64 2ubp n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ubp n ASP 485 N 0.95 0.15 0.23 1.61 8.00 -1.26 -3.66 116.55 122.56 2ubp n ASP 485 Ca 0.00 -0.25 0.09 0.00 0.71 0.00 0.00 54.79 55.35 2ubp n ASP 485 Cb 0.00 -0.22 0.51 0.00 -0.02 0.00 0.00 41.12 41.39 2ubp n ASP 485 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2ubp h LEU 486 N 0.16 0.00 -2.24 0.64 5.85 -1.71 -1.47 115.31 116.55 2ubp h LEU 486 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2ubp h LEU 486 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2ubp h LEU 486 CO 0.00 0.23 -0.03 -0.29 -0.34 0.00 0.00 178.44 178.01 2ubp h ILE 487 N 0.00 0.68 -0.18 4.05 2.10 -1.56 -1.97 117.51 120.64 2ubp h ILE 487 Ca -0.00 -0.12 -0.20 0.00 1.08 0.00 0.00 64.86 65.62 2ubp h ILE 487 Cb 0.65 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 2ubp h ILE 487 CO 0.03 0.03 -0.69 0.45 -1.08 0.00 0.00 178.15 176.89 2ubp h HIS 488 N 0.00 0.97 0.00 2.19 3.86 -1.52 -3.25 115.15 117.40 2ubp h HIS 488 Ca -0.00 -0.40 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 2ubp h HIS 488 Cb 0.07 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 2ubp h HIS 488 CO 0.00 1.21 -0.62 -0.44 0.86 0.00 0.00 177.93 178.94 2ubp h ASP 489 N 0.52 0.00 -0.01 2.45 3.32 -1.47 -2.70 116.42 118.53 2ubp h ASP 489 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ubp h ASP 489 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2ubp h ASP 489 CO 0.14 0.06 -0.04 0.35 -1.72 0.00 0.00 179.24 178.04 2ubp n THR 490 N -2.88 0.00 -4.14 0.35 -2.24 -0.82 -4.86 114.28 99.69 2ubp n THR 490 Ca 0.01 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2ubp n THR 490 Cb 0.57 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 2ubp n THR 490 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2ubp s ASN 491 N -2.05 1.37 -0.11 3.42 0.01 -1.23 -3.32 114.94 113.03 2ubp s ASN 491 Ca 0.31 -0.66 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2ubp s ASN 491 Cb 0.20 -0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.84 2ubp s ASN 491 CO 0.34 -0.17 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.96 2ubp s ILE 492 N -1.69 2.74 -0.37 0.60 1.01 -1.26 -2.67 121.20 119.56 2ubp s ILE 492 Ca -0.02 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 2ubp s ILE 492 Cb -0.08 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2ubp s ILE 492 CO 0.01 0.54 0.47 -0.89 0.00 0.00 0.00 174.94 175.07 2ubp s THR 493 N 0.24 5.05 -0.15 2.92 2.01 0.31 -1.34 115.64 124.67 2ubp s THR 493 Ca -0.11 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.78 2ubp s THR 493 Cb -0.16 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2ubp s THR 493 CO 0.06 -0.26 0.72 -0.36 -0.69 0.00 0.00 174.62 174.09 2ubp s PHE 494 N 2.29 3.45 0.17 4.92 0.08 -0.01 -1.26 117.98 127.62 2ubp s PHE 494 Ca 0.16 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.37 2ubp s PHE 494 Cb -0.16 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 2ubp s PHE 494 CO 0.13 -0.11 -0.03 -1.64 -0.10 0.00 0.00 175.22 173.47 2ubp s MET 495 N 1.63 1.13 0.71 0.44 -1.94 0.14 -4.42 119.30 116.99 2ubp s MET 495 Ca 0.34 -1.53 -0.15 0.00 -1.71 0.00 0.00 55.69 52.65 2ubp s MET 495 Cb -0.17 -0.43 0.03 0.00 2.01 0.00 0.00 34.83 36.28 2ubp s MET 495 CO 0.13 -0.06 1.17 -1.54 -0.01 0.00 0.00 175.02 174.71 2ubp s SER 496 N -3.19 4.47 0.27 3.03 1.04 -1.14 -1.06 113.70 117.12 2ubp s SER 496 Ca 0.22 2.22 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 2ubp s SER 496 Cb 0.05 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.95 2ubp s SER 496 CO 0.03 -2.07 1.93 0.11 0.98 0.00 0.00 173.24 174.22 2ubp h LYS 497 N -0.25 1.21 -0.27 4.02 1.57 -1.80 -2.64 116.57 118.41 2ubp h LYS 497 Ca -0.47 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.12 2ubp h LYS 497 Cb 1.28 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2ubp h LYS 497 CO 0.51 0.80 -0.30 0.66 -0.57 0.00 0.00 179.45 180.55 2ubp h SER 498 N 1.25 0.58 0.00 0.86 4.64 -1.88 -0.09 113.55 118.91 2ubp h SER 498 Ca 0.37 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2ubp h SER 498 Cb -0.05 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2ubp h SER 498 CO -0.10 0.85 -0.40 0.77 -0.87 0.00 0.00 176.83 177.07 2ubp h SER 499 N 0.48 0.54 -0.21 4.97 4.64 -1.65 -0.59 113.55 121.73 2ubp h SER 499 Ca 0.06 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 2ubp h SER 499 Cb 0.76 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2ubp h SER 499 CO 0.06 0.88 -0.23 0.40 -0.87 0.00 0.00 176.83 177.08 2ubp h ILE 500 N 0.42 1.33 -0.74 0.95 2.04 -1.27 -0.94 117.51 119.29 2ubp h ILE 500 Ca 0.04 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 2ubp h ILE 500 Cb 0.89 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2ubp h ILE 500 CO 0.08 0.43 0.36 -0.61 0.00 0.00 0.00 178.15 178.40 2ubp h GLN 501 N 0.20 1.06 0.00 2.37 4.15 -0.78 -1.84 115.11 120.26 2ubp h GLN 501 Ca 0.03 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2ubp h GLN 501 Cb 0.78 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2ubp h GLN 501 CO 0.06 0.82 0.00 1.04 -1.93 0.00 0.00 178.83 178.81 2ubp n GLN 502 N -4.32 0.86 -2.66 1.69 6.02 -0.25 -4.93 117.38 113.78 2ubp n GLN 502 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 2ubp n GLN 502 Cb 0.14 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.92 2ubp n GLN 502 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ubp n GLY 503 N 0.71 0.30 0.28 1.08 0.00 -0.69 -4.96 105.19 101.91 2ubp n GLY 503 Ca 0.20 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 2ubp n GLY 503 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ubp h VAL 504 N -0.68 1.21 -0.48 1.61 2.07 -1.39 -0.41 116.25 118.18 2ubp h VAL 504 Ca -0.20 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2ubp h VAL 504 Cb 1.13 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2ubp h VAL 504 CO 0.21 0.23 0.07 -0.65 0.02 0.00 0.00 177.57 177.44 2ubp h PRO 505 N 0.95 0.19 -0.32 1.57 0.11 -1.90 -0.25 132.00 132.36 2ubp h PRO 505 Ca 0.25 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.18 2ubp h PRO 505 Cb 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2ubp h PRO 505 CO -0.04 0.13 -0.46 0.00 -0.21 0.00 0.00 178.00 177.42 2ubp h ALA 506 N 1.39 0.59 -0.83 -0.75 0.00 -1.76 0.79 119.26 118.69 2ubp h ALA 506 Ca 0.24 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2ubp h ALA 506 Cb 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2ubp h ALA 506 CO -0.34 0.68 0.53 -0.22 0.00 0.00 0.00 179.25 179.90 2ubp h LYS 507 N 0.67 1.01 -0.01 0.00 3.64 -0.23 -2.47 116.57 119.18 2ubp h LYS 507 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ubp h LYS 507 Cb 1.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2ubp h LYS 507 CO 0.10 0.67 -0.27 1.28 -2.27 0.00 0.00 179.45 178.96 2ubp n LEU 508 N -4.56 1.04 -0.87 5.20 4.77 -0.18 -4.96 117.00 117.44 2ubp n LEU 508 Ca 0.10 -0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 55.74 2ubp n LEU 508 Cb 0.08 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2ubp n LEU 508 CO 0.34 0.20 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 2ubp n GLY 509 N 1.35 0.14 3.71 -0.72 0.00 0.08 -4.97 105.19 104.78 2ubp n GLY 509 Ca 0.12 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2ubp n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ubp s LEU 510 N -2.10 4.36 -0.01 0.99 1.43 -0.10 -4.91 118.68 118.34 2ubp s LEU 510 Ca 0.02 2.07 0.15 0.00 -1.03 0.00 0.00 54.13 55.35 2ubp s LEU 510 Cb -0.01 -3.58 -0.19 0.00 0.03 0.00 0.00 46.19 42.45 2ubp s LEU 510 CO 0.03 -0.54 0.55 0.29 0.23 0.00 0.00 176.35 176.91 2ubp n LYS 511 N 4.14 1.58 -1.48 1.70 4.76 -1.26 -4.78 118.16 122.81 2ubp n LYS 511 Ca 0.10 -0.04 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 2ubp n LYS 511 Cb 0.45 -1.25 0.09 0.00 -1.84 0.00 0.00 35.03 32.48 2ubp n LYS 511 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ubp s ARG 512 N -2.61 2.22 0.26 1.97 0.52 -1.26 -4.71 118.95 115.33 2ubp s ARG 512 Ca 0.02 1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 56.70 2ubp s ARG 512 Cb 0.11 -1.84 -0.13 0.00 0.52 0.00 0.00 34.95 33.61 2ubp s ARG 512 CO 0.62 -1.78 1.43 0.54 0.02 0.00 0.00 175.30 176.13 2ubp n ARG 513 N -2.61 2.16 -3.73 3.54 1.74 -1.02 -4.81 116.66 111.93 2ubp n ARG 513 Ca 0.13 0.77 -0.37 0.00 -0.77 0.00 0.00 57.85 57.61 2ubp n ARG 513 Cb 0.50 -2.44 -0.12 0.00 -1.02 0.00 0.00 32.46 29.39 2ubp n ARG 513 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ubp s ILE 514 N -0.16 4.74 -0.09 0.55 -1.09 -1.26 -0.53 121.20 123.35 2ubp s ILE 514 Ca 0.66 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 59.02 2ubp s ILE 514 Cb -0.61 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2ubp s ILE 514 CO 0.51 0.33 0.03 -0.83 -1.23 0.00 0.00 174.94 173.75 2ubp s GLY 515 N 1.48 1.92 -0.18 6.18 0.00 -0.39 -4.95 107.32 111.38 2ubp s GLY 515 Ca 0.06 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 2ubp s GLY 515 CO 0.06 -0.53 0.48 -1.59 0.00 0.00 0.00 173.10 171.51 2ubp s THR 516 N -0.92 5.15 -0.08 0.90 2.01 -1.26 -0.68 115.64 120.76 2ubp s THR 516 Ca 0.14 0.89 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 2ubp s THR 516 Cb -0.11 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2ubp s THR 516 CO 0.03 0.24 0.95 -0.69 -0.69 0.00 0.00 174.62 174.46 2ubp s VAL 517 N 1.26 4.84 0.22 3.82 1.01 -0.22 -4.79 120.40 126.55 2ubp s VAL 517 Ca 0.23 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 63.95 2ubp s VAL 517 Cb -0.15 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.99 2ubp s VAL 517 CO 0.09 0.07 0.64 -1.59 0.00 0.00 0.00 175.10 174.32 2ubp s LYS 518 N 1.65 1.54 -1.18 2.72 -2.85 -0.70 -4.23 119.74 116.68 2ubp s LYS 518 Ca 0.47 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.97 54.64 2ubp s LYS 518 Cb -0.19 0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 2ubp s LYS 518 CO 0.20 -0.69 0.92 0.09 0.10 0.00 0.00 175.35 175.97 2ubp n ASN 519 N -0.41 -3.01 0.00 0.03 3.02 -1.26 -4.40 115.26 109.23 2ubp n ASN 519 Ca -0.10 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2ubp n ASN 519 Cb 0.62 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 2ubp n ASN 519 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ubp n ARG 521 N -0.31 0.78 -0.58 0.00 5.12 -1.26 -4.50 116.66 115.92 2ubp n ARG 521 Ca 0.00 -0.02 0.05 0.00 -1.93 0.00 0.00 57.85 55.95 2ubp n ARG 521 Cb 0.33 -1.39 0.20 0.00 -1.16 0.00 0.00 32.46 30.44 2ubp n ARG 521 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ubp n ASN 522 N -1.51 1.96 -4.79 0.55 4.13 -1.26 -4.65 115.26 109.69 2ubp n ASN 522 Ca 0.03 -3.78 -0.23 0.00 1.68 0.00 0.00 54.58 52.28 2ubp n ASN 522 Cb 0.31 -0.54 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 2ubp n ASN 522 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2ubp s ILE 523 N -3.19 2.47 0.00 2.41 -4.36 -1.26 -5.12 121.20 112.15 2ubp s ILE 523 Ca 0.39 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 2ubp s ILE 523 Cb 0.37 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2ubp s ILE 523 CO -0.04 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.74 2ubp n GLY 524 N -1.34 2.85 0.32 6.27 0.00 -1.26 -4.82 105.19 107.20 2ubp n GLY 524 Ca 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.08 2ubp n GLY 524 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ubp h LYS 525 N 0.00 0.02 0.00 1.61 1.63 -1.12 -0.53 116.57 118.18 2ubp h LYS 525 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2ubp h LYS 525 Cb 0.00 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2ubp h LYS 525 CO 0.00 0.02 -0.02 1.57 -3.45 0.00 0.00 179.45 177.56 2ubp h LYS 526 N 0.02 0.00 -0.01 1.90 2.10 -1.80 -1.85 116.57 116.94 2ubp h LYS 526 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2ubp h LYS 526 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2ubp h LYS 526 CO -0.00 0.02 -0.14 -0.25 -2.00 0.00 0.00 179.45 177.08 2ubp n ASP 527 N -3.21 0.69 -4.58 7.07 8.00 -0.21 -4.77 116.55 119.54 2ubp n ASP 527 Ca -0.02 -0.73 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 2ubp n ASP 527 Cb 0.19 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2ubp n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ubp s MET 528 N -2.44 3.57 0.16 -1.24 -1.94 -0.69 -4.96 119.30 111.76 2ubp s MET 528 Ca 0.28 0.33 -0.32 0.00 -1.71 0.00 0.00 55.69 54.27 2ubp s MET 528 Cb 0.20 -3.98 -0.12 0.00 2.01 0.00 0.00 34.83 32.94 2ubp s MET 528 CO 0.48 -1.57 1.72 1.63 -0.01 0.00 0.00 175.02 177.28 2ubp n LYS 529 N 8.17 2.61 -0.86 2.03 4.76 -1.26 -2.34 118.16 131.27 2ubp n LYS 529 Ca 0.09 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 2ubp n LYS 529 Cb 0.49 -2.78 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 2ubp n LYS 529 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2ubp n TRP 530 N 4.37 0.00 -3.03 2.13 7.02 -1.26 -4.79 117.44 121.88 2ubp n TRP 530 Ca 0.17 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.50 2ubp n TRP 530 Cb 0.34 -1.73 0.01 0.00 -2.42 0.00 0.00 31.31 27.51 2ubp n TRP 530 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2ubp n ASN 531 N -0.66 -0.29 -0.07 -0.99 3.02 -0.99 -4.66 115.26 110.61 2ubp n ASN 531 Ca 0.00 -3.26 0.07 0.00 -0.03 0.00 0.00 54.58 51.36 2ubp n ASN 531 Cb 0.33 0.28 0.09 0.00 -0.61 0.00 0.00 39.78 39.88 2ubp n ASN 531 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2ubp n ASP 532 N 0.31 2.09 -4.70 6.41 5.75 -1.13 -4.55 116.55 120.72 2ubp n ASP 532 Ca 0.18 -2.71 -0.42 0.00 -0.01 0.00 0.00 54.79 51.83 2ubp n ASP 532 Cb 0.67 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 2ubp n ASP 532 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ubp s VAL 533 N -2.19 4.84 -0.08 2.12 1.01 -1.11 -4.34 120.40 120.65 2ubp s VAL 533 Ca 0.22 2.03 0.01 0.00 0.00 0.00 0.00 61.98 64.23 2ubp s VAL 533 Cb 0.19 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2ubp s VAL 533 CO 0.02 0.10 -0.09 0.42 0.00 0.00 0.00 175.10 175.56 2ubp s THR 534 N 1.39 3.52 0.26 3.92 -4.23 -1.26 -4.68 115.64 114.56 2ubp s THR 534 Ca 0.50 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 60.27 2ubp s THR 534 Cb -0.20 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.25 2ubp s THR 534 CO 0.24 0.58 0.84 0.28 -0.54 0.00 0.00 174.62 176.02 2ubp s THR 535 N -0.56 0.00 -0.49 3.99 -1.32 -0.93 -5.05 115.64 111.28 2ubp s THR 535 Ca 0.08 -0.86 -0.20 0.00 -1.21 0.00 0.00 61.69 59.51 2ubp s THR 535 Cb -0.12 -2.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.57 2ubp s THR 535 CO 0.02 0.00 0.63 -0.62 -2.21 0.00 0.00 174.62 172.44 2ubp s ASP 536 N -3.03 6.25 -0.23 8.08 -1.08 -1.26 -4.26 116.67 121.14 2ubp s ASP 536 Ca 0.14 -0.74 -0.16 0.00 -0.52 0.00 0.00 52.55 51.27 2ubp s ASP 536 Cb -0.04 -2.30 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 2ubp s ASP 536 CO 0.07 -0.86 0.41 -0.63 0.52 0.00 0.00 175.17 174.68 2ubp s ILE 537 N 2.70 5.17 -0.20 4.11 1.01 -1.26 -4.28 121.20 128.45 2ubp s ILE 537 Ca 0.17 0.70 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 2ubp s ILE 537 Cb -0.18 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2ubp s ILE 537 CO 0.14 0.20 0.01 -0.62 0.00 0.00 0.00 174.94 174.68 2ubp s ASP 538 N 1.27 4.97 -0.30 3.58 2.15 0.28 -4.74 116.67 123.89 2ubp s ASP 538 Ca 0.18 -0.16 -0.02 0.00 0.43 0.00 0.00 52.55 52.99 2ubp s ASP 538 Cb -0.15 -1.85 0.05 0.00 -0.30 0.00 0.00 42.92 40.67 2ubp s ASP 538 CO 0.09 0.07 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.53 2ubp s ILE 539 N 0.94 3.00 0.03 4.11 1.01 -1.26 -0.15 121.20 128.88 2ubp s ILE 539 Ca 0.02 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 2ubp s ILE 539 Cb -0.14 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 2ubp s ILE 539 CO 0.02 -0.10 1.65 0.21 0.00 0.00 0.00 174.94 176.71 2ubp s ASN 540 N 1.26 6.64 0.53 3.58 3.84 -0.28 -4.90 114.94 125.59 2ubp s ASN 540 Ca -0.05 2.39 0.23 0.00 0.21 0.00 0.00 52.86 55.65 2ubp s ASN 540 Cb -0.20 -2.55 1.45 0.00 -0.55 0.00 0.00 41.25 39.40 2ubp s ASN 540 CO -0.01 -0.89 2.13 1.55 -2.79 0.00 0.00 177.10 177.09 2ubp h PRO 541 N 8.72 0.00 0.04 0.43 0.13 -1.95 0.22 132.00 139.59 2ubp h PRO 541 Ca -0.42 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 2ubp h PRO 541 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2ubp h PRO 541 CO 0.93 0.07 -1.38 0.93 -0.23 0.00 0.00 178.00 178.33 2ubp h GLU 542 N 0.00 0.09 0.00 0.86 5.08 -1.99 -3.41 114.58 115.20 2ubp h GLU 542 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ubp h GLU 542 Cb 0.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2ubp h GLU 542 CO 0.01 1.07 -1.26 0.25 -1.00 0.00 0.00 179.01 178.08 2ubp n THR 543 N -4.18 0.00 -1.33 1.13 -2.24 -1.21 -4.99 114.28 101.46 2ubp n THR 543 Ca -0.30 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2ubp n THR 543 Cb 0.78 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 2ubp n THR 543 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2ubp n TYR 544 N -1.73 0.00 -2.31 4.78 4.01 0.76 -4.94 117.16 117.74 2ubp n TYR 544 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2ubp n TYR 544 Cb 0.35 -2.15 -0.02 0.00 -0.31 0.00 0.00 39.34 37.21 2ubp n TYR 544 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2ubp s GLU 545 N -2.91 4.07 -0.17 -0.72 2.02 -1.26 -4.41 118.70 115.33 2ubp s GLU 545 Ca 0.00 1.82 -0.05 0.00 0.02 0.00 0.00 54.97 56.76 2ubp s GLU 545 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 2ubp s GLU 545 CO 0.00 -0.30 -0.00 0.08 0.02 0.00 0.00 175.26 175.06 2ubp s VAL 546 N -1.43 4.17 -0.00 2.63 1.01 -1.26 -1.13 120.40 124.39 2ubp s VAL 546 Ca 0.57 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2ubp s VAL 546 Cb -0.30 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2ubp s VAL 546 CO 0.38 0.47 -0.18 -0.54 0.00 0.00 0.00 175.10 175.23 2ubp s LYS 547 N 0.44 1.43 -0.05 2.72 1.02 0.79 -0.23 119.74 125.87 2ubp s LYS 547 Ca -0.01 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2ubp s LYS 547 Cb -0.14 -1.40 0.03 0.00 -0.52 0.00 0.00 37.83 35.80 2ubp s LYS 547 CO 0.02 0.38 0.03 0.08 -0.92 0.00 0.00 175.35 174.95 2ubp s VAL 548 N -0.49 0.06 -1.38 3.17 1.01 -0.81 -0.55 120.40 121.41 2ubp s VAL 548 Ca 0.07 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 2ubp s VAL 548 Cb -0.07 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.07 2ubp s VAL 548 CO -0.00 0.19 0.89 0.47 0.00 0.00 0.00 175.10 176.65 2ubp n ASP 549 N 5.04 -3.19 0.00 3.32 8.00 -1.26 -1.64 116.55 126.81 2ubp n ASP 549 Ca -0.09 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2ubp n ASP 549 Cb 0.50 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 2ubp n ASP 549 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ubp n GLY 550 N -1.63 0.27 3.55 0.44 0.00 -1.26 -4.98 105.19 101.59 2ubp n GLY 550 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2ubp n GLY 550 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ubp s GLU 551 N -0.95 2.72 0.07 1.61 2.02 -0.65 -5.07 118.70 118.44 2ubp s GLU 551 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 54.97 54.10 2ubp s GLU 551 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 2ubp s GLU 551 CO 0.00 0.64 1.24 0.08 0.02 0.00 0.00 175.26 177.23 2ubp s VAL 552 N -0.74 3.89 -0.53 2.63 1.01 -1.26 -1.92 120.40 123.47 2ubp s VAL 552 Ca 0.11 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 2ubp s VAL 552 Cb -0.11 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.49 2ubp s VAL 552 CO 0.01 0.10 0.57 -0.76 0.00 0.00 0.00 175.10 175.03 2ubp s LEU 553 N 1.08 5.46 0.03 3.92 1.43 0.68 -4.97 118.68 126.31 2ubp s LEU 553 Ca 0.60 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2ubp s LEU 553 Cb -0.31 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2ubp s LEU 553 CO 0.29 -0.89 -0.08 0.28 0.23 0.00 0.00 176.35 176.19 2ubp s THR 554 N 2.22 0.55 0.14 5.49 -1.32 -1.26 -4.37 115.64 117.09 2ubp s THR 554 Ca 0.09 -0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 59.52 2ubp s THR 554 Cb -0.24 -0.58 0.03 0.00 -1.51 0.00 0.00 72.50 70.20 2ubp s THR 554 CO 0.07 -0.25 0.39 0.00 -2.21 0.00 0.00 174.62 172.62 2ubp s GLU 556 N -3.84 3.68 0.43 0.00 0.41 -1.26 -4.85 118.70 113.28 2ubp s GLU 556 Ca 0.05 0.50 -0.21 0.00 -0.41 0.00 0.00 54.97 54.90 2ubp s GLU 556 Cb 0.02 -2.29 -0.10 0.00 -1.78 0.00 0.00 34.13 29.98 2ubp s GLU 556 CO -0.09 -0.24 0.97 -1.25 -0.49 0.00 0.00 175.26 174.16 2ubp s PRO 557 N -4.46 4.19 0.11 0.39 0.04 -1.26 -4.94 135.00 129.07 2ubp s PRO 557 Ca 0.52 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.78 2ubp s PRO 557 Cb -0.10 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2ubp s PRO 557 CO 0.41 -0.07 0.13 0.14 0.04 0.00 0.00 177.00 177.65 2ubp s VAL 558 N -2.08 4.69 -0.05 -0.36 -7.23 -1.00 -4.70 120.40 109.67 2ubp s VAL 558 Ca 0.62 -0.82 0.13 0.00 -1.81 0.00 0.00 61.98 60.09 2ubp s VAL 558 Cb -0.11 -3.32 -0.12 0.00 0.56 0.00 0.00 36.38 33.38 2ubp s VAL 558 CO 0.16 0.03 1.08 0.11 -0.31 0.00 0.00 175.10 176.17 2ubp h LYS 559 N 2.86 0.00 -4.87 4.82 1.57 -1.96 -1.72 116.57 117.27 2ubp h LYS 559 Ca -0.47 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.96 2ubp h LYS 559 Cb 1.18 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.26 2ubp h LYS 559 CO 0.66 0.59 -0.76 -2.00 -0.57 0.00 0.00 179.45 177.37 2ubp s GLU 560 N -2.81 0.67 0.08 3.15 2.12 -1.26 -4.89 118.70 115.76 2ubp s GLU 560 Ca -0.00 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.66 2ubp s GLU 560 Cb 0.09 -0.57 -0.03 0.00 0.26 0.00 0.00 34.13 33.87 2ubp s GLU 560 CO 0.80 0.13 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.98 2ubp s LEU 561 N -1.33 2.30 1.08 2.70 1.43 -1.26 -5.12 118.68 118.48 2ubp s LEU 561 Ca -0.04 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 2ubp s LEU 561 Cb -0.08 -0.63 0.23 0.00 0.03 0.00 0.00 46.19 45.74 2ubp s LEU 561 CO 0.01 -0.04 1.14 -2.16 0.23 0.00 0.00 176.35 175.53 2ubp s PRO 562 N -1.87 -0.27 -1.47 1.29 0.04 -1.26 -4.34 135.00 127.12 2ubp s PRO 562 Ca 0.01 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.00 2ubp s PRO 562 Cb -0.10 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.81 2ubp s PRO 562 CO 0.03 -3.10 0.95 -1.33 0.04 0.00 0.00 177.00 173.59 2ubp n MET 563 N -4.35 -5.65 0.00 4.56 2.81 -1.26 -4.89 117.12 108.34 2ubp n MET 563 Ca 0.11 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 2ubp n MET 563 Cb 0.59 -5.47 0.00 0.00 -0.71 0.00 0.00 33.22 27.63 2ubp n MET 563 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ubp n ALA 564 N -4.63 0.00 0.36 3.04 0.00 -1.26 -4.96 120.51 113.06 2ubp n ALA 564 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2ubp n ALA 564 Cb 0.56 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.38 2ubp n ALA 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ubp n GLN 565 N 0.00 0.09 0.17 0.00 6.02 -1.26 -1.29 117.38 121.11 2ubp n GLN 565 Ca 0.00 0.39 0.04 0.00 -0.01 0.00 0.00 57.00 57.42 2ubp n GLN 565 Cb 0.00 -1.69 0.28 0.00 1.02 0.00 0.00 30.24 29.85 2ubp n GLN 565 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ubp h ARG 566 N 0.00 0.00 0.00 -1.09 2.43 -1.94 -3.37 114.38 110.41 2ubp h ARG 566 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 2ubp h ARG 566 Cb 0.23 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 2ubp h ARG 566 CO 0.00 0.43 -2.42 0.66 -1.51 0.00 0.00 179.97 177.13 2ubp n TYR 567 N -3.53 0.00 -3.54 2.20 4.01 -0.42 -5.04 117.16 110.84 2ubp n TYR 567 Ca -0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2ubp n TYR 567 Cb 0.55 -0.96 -0.06 0.00 -0.31 0.00 0.00 39.34 38.57 2ubp n TYR 567 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2ubp s PHE 568 N -2.50 3.70 0.01 -0.72 0.08 -1.10 -4.99 117.98 112.47 2ubp s PHE 568 Ca -0.34 0.92 0.15 0.00 0.12 0.00 0.00 56.93 57.79 2ubp s PHE 568 Cb 0.09 -2.26 0.24 0.00 -0.57 0.00 0.00 43.02 40.53 2ubp s PHE 568 CO 0.57 0.63 1.52 1.25 -0.10 0.00 0.00 175.22 179.09 2ubp h LEU 569 N 4.85 0.00 -0.16 -0.37 5.85 -1.93 -3.46 115.31 120.09 2ubp h LEU 569 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2ubp h LEU 569 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2ubp h LEU 569 CO 0.62 0.54 0.00 0.49 -0.34 0.00 0.00 178.44 179.74