#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2baj s HIS 0 N 0.00 -0.24 0.25 1.57 2.46 -1.26 -4.95 115.29 113.12 2baj s HIS 0 Ca 0.00 0.43 -0.13 0.00 0.47 0.00 0.00 55.06 55.83 2baj s HIS 0 Cb 0.00 0.12 0.33 0.00 -0.13 0.00 0.00 32.58 32.90 2baj s HIS 0 CO 0.00 -0.36 1.52 0.72 -2.47 0.00 0.00 174.74 174.14 2baj n HIS 1 N 1.57 0.17 0.28 3.88 -0.00 -1.26 -1.63 115.22 118.23 2baj n HIS 1 Ca -0.20 1.20 0.14 0.00 -0.00 0.00 0.00 57.72 58.86 2baj n HIS 1 Cb 0.56 -0.95 0.87 0.00 -0.00 0.00 0.00 29.99 30.47 2baj n HIS 1 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2baj h SER 2 N 0.00 0.00 0.33 0.41 4.64 -1.98 -0.11 113.55 116.84 2baj h SER 2 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2baj h SER 2 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2baj h SER 2 CO -0.98 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 174.98 2baj n GLN 3 N -3.95 0.44 0.00 4.77 6.02 -0.65 -2.36 117.38 121.64 2baj n GLN 3 Ca -0.03 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 2baj n GLN 3 Cb 0.10 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2baj n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2baj n GLU 4 N -1.22 3.53 -3.67 -1.09 -0.58 -0.08 -4.90 120.64 112.64 2baj n GLU 4 Ca 0.13 -0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.30 2baj n GLU 4 Cb 0.16 -0.95 -0.10 0.00 -0.57 0.00 0.00 31.44 29.98 2baj n GLU 4 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2baj s ARG 5 N -1.65 2.36 -0.97 3.49 0.52 -1.00 -5.01 118.95 116.71 2baj s ARG 5 Ca 0.05 -1.64 -0.24 0.00 -0.52 0.00 0.00 55.73 53.37 2baj s ARG 5 Cb 0.07 -3.71 -0.08 0.00 0.52 0.00 0.00 34.95 31.75 2baj s ARG 5 CO 0.31 -1.03 2.02 -1.25 0.02 0.00 0.00 175.30 175.37 2baj s PRO 6 N 1.30 2.33 -0.00 3.54 0.04 -1.26 -4.50 135.00 136.44 2baj s PRO 6 Ca 0.05 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2baj s PRO 6 Cb -0.24 -5.06 -0.00 0.00 0.04 0.00 0.00 34.50 29.24 2baj s PRO 6 CO -0.01 -3.80 0.00 -2.37 0.04 0.00 0.00 177.00 170.86 2baj n THR 7 N 8.06 0.00 -2.98 1.26 5.66 -1.26 -5.05 114.28 119.96 2baj n THR 7 Ca 0.42 -0.40 -0.40 0.00 -3.05 0.00 0.00 64.05 60.62 2baj n THR 7 Cb 0.46 0.90 -0.04 0.00 -1.55 0.00 0.00 70.33 70.10 2baj n THR 7 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2baj s PHE 8 N -1.20 3.51 0.41 1.09 0.40 -1.26 -1.00 117.98 119.94 2baj s PHE 8 Ca 0.00 1.25 0.07 0.00 -0.60 0.00 0.00 56.93 57.65 2baj s PHE 8 Cb 0.00 -2.89 -0.08 0.00 0.51 0.00 0.00 43.02 40.57 2baj s PHE 8 CO 0.00 -0.04 0.03 1.52 0.70 0.00 0.00 175.22 177.43 2baj s TYR 9 N 1.33 2.53 -0.03 0.36 1.13 -0.70 -4.92 117.35 117.05 2baj s TYR 9 Ca 0.38 -0.66 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 2baj s TYR 9 Cb -0.17 -1.80 0.03 0.00 -1.10 0.00 0.00 41.96 38.91 2baj s TYR 9 CO 0.16 0.42 0.01 0.50 -2.51 0.00 0.00 175.55 174.12 2baj s ARG 10 N -3.74 0.29 0.04 -3.49 3.52 -1.26 -1.89 118.95 112.42 2baj s ARG 10 Ca 0.36 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2baj s ARG 10 Cb 0.09 -0.52 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2baj s ARG 10 CO 0.18 -0.16 -0.04 1.14 -0.81 0.00 0.00 175.30 175.62 2baj s GLN 11 N 1.17 0.45 -0.06 5.12 -2.07 -0.68 -5.01 119.66 118.58 2baj s GLN 11 Ca -0.08 -0.83 -0.12 0.00 -1.82 0.00 0.00 55.36 52.51 2baj s GLN 11 Cb -0.13 0.07 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 2baj s GLN 11 CO -0.02 -0.05 0.30 -2.00 -1.32 0.00 0.00 175.29 172.20 2baj s GLU 12 N -2.27 3.80 0.00 9.60 2.56 -1.26 0.13 118.70 131.26 2baj s GLU 12 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.08 2baj s GLU 12 Cb -0.04 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.85 2baj s GLU 12 CO -0.03 0.66 0.00 -0.11 -0.56 0.00 0.00 175.26 175.22 2baj n LEU 13 N 2.10 0.00 -3.97 2.70 0.00 -1.26 -4.92 117.00 111.66 2baj n LEU 13 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.46 2baj n LEU 13 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.91 2baj n LEU 13 CO 0.36 0.00 2.05 0.00 0.00 0.00 0.00 177.39 179.79 2baj n ILE 17 N -0.01 2.32 -3.34 1.96 0.13 -1.26 -5.12 119.36 114.04 2baj n ILE 17 Ca 0.00 -2.17 -0.38 0.00 -1.10 0.00 0.00 62.75 59.10 2baj n ILE 17 Cb 0.00 -2.33 -0.07 0.00 -0.84 0.00 0.00 39.64 36.40 2baj n ILE 17 CO 0.00 0.00 0.00 0.26 2.80 0.00 0.00 176.55 179.61 2baj s TRP 18 N 6.09 3.44 -0.28 9.51 0.52 0.12 -4.93 118.94 133.41 2baj s TRP 18 Ca 0.58 0.76 -0.03 0.00 0.02 0.00 0.00 56.10 57.43 2baj s TRP 18 Cb 0.10 -2.55 0.03 0.00 -1.15 0.00 0.00 33.47 29.90 2baj s TRP 18 CO 0.09 0.07 -0.01 -1.21 0.02 0.00 0.00 176.95 175.91 2baj s GLU 19 N 1.00 2.72 0.04 4.98 2.02 -1.26 -1.69 118.70 126.51 2baj s GLU 19 Ca 0.23 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 54.15 2baj s GLU 19 Cb -0.15 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2baj s GLU 19 CO 0.09 -0.50 -0.05 0.14 0.02 0.00 0.00 175.26 174.96 2baj s VAL 20 N 1.33 0.29 0.76 2.63 -7.23 -0.79 -4.65 120.40 112.74 2baj s VAL 20 Ca -0.01 -1.17 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 2baj s VAL 20 Cb -0.18 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 36.14 2baj s VAL 20 CO -0.02 -0.57 1.06 -2.65 -0.31 0.00 0.00 175.10 172.61 2baj n PRO 21 N 1.21 0.41 0.16 4.82 -0.02 -1.26 -1.73 135.00 138.58 2baj n PRO 21 Ca -0.21 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.60 2baj n PRO 21 Cb 0.56 -2.31 0.53 0.00 -0.02 0.00 0.00 33.50 32.26 2baj n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2baj h GLU 22 N -0.48 0.00 0.00 -0.52 4.11 -1.44 -2.39 114.58 113.86 2baj h GLU 22 Ca -0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 2baj h GLU 22 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2baj h GLU 22 CO 0.46 0.00 -0.07 0.07 0.07 0.00 0.00 179.01 179.54 2baj h ARG 23 N 0.00 0.00 -4.56 1.06 0.11 -1.90 -3.40 114.38 105.69 2baj h ARG 23 Ca 0.00 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.36 2baj h ARG 23 Cb 0.39 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 31.27 2baj h ARG 23 CO 0.00 0.07 -0.34 0.71 0.10 0.00 0.00 179.97 180.51 2baj s TYR 24 N -4.56 3.22 0.45 4.08 2.02 -0.90 0.07 117.35 121.73 2baj s TYR 24 Ca -0.04 -0.61 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2baj s TYR 24 Cb 0.15 -2.81 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 2baj s TYR 24 CO 0.60 -0.67 0.01 -0.65 -1.57 0.00 0.00 175.55 173.27 2baj s GLN 25 N 1.82 2.04 -1.49 -0.62 -1.52 0.17 -4.85 119.66 115.20 2baj s GLN 25 Ca 0.07 -2.23 -0.12 0.00 -1.95 0.00 0.00 55.36 51.13 2baj s GLN 25 Cb -0.20 -1.50 0.07 0.00 -0.22 0.00 0.00 33.01 31.16 2baj s GLN 25 CO 0.10 -0.21 0.96 0.09 -0.25 0.00 0.00 175.29 175.98 2baj n ASN 26 N -1.10 -4.43 -4.78 5.90 4.13 -1.26 -0.85 115.26 112.87 2baj n ASN 26 Ca -0.11 -0.77 -0.41 0.00 1.68 0.00 0.00 54.58 54.97 2baj n ASN 26 Cb 0.67 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 2baj n ASN 26 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2baj s LEU 27 N -7.21 4.29 -0.24 3.41 1.02 -1.26 -4.26 118.68 114.44 2baj s LEU 27 Ca 0.57 3.04 -0.05 0.00 0.02 0.00 0.00 54.13 57.71 2baj s LEU 27 Cb -0.28 -3.71 0.12 0.00 0.02 0.00 0.00 46.19 42.34 2baj s LEU 27 CO 0.82 -0.92 0.45 -0.55 0.02 0.00 0.00 176.35 176.17 2baj s SER 28 N -0.19 -0.31 0.33 2.29 0.15 -0.56 -4.98 113.70 110.42 2baj s SER 28 Ca 0.54 0.76 -0.29 0.00 0.70 0.00 0.00 55.95 57.66 2baj s SER 28 Cb -0.46 1.46 -0.11 0.00 -1.71 0.00 0.00 66.02 65.20 2baj s SER 28 CO 0.62 -0.26 1.57 -2.84 1.20 0.00 0.00 173.24 173.53 2baj s PRO 29 N 2.65 4.10 0.00 5.44 0.02 -1.26 -1.48 135.00 144.47 2baj s PRO 29 Ca 0.06 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2baj s PRO 29 Cb -0.14 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.39 2baj s PRO 29 CO -0.15 -0.62 0.29 1.33 -0.33 0.00 0.00 177.00 177.52 2baj n VAL 30 N 1.53 0.00 0.00 3.83 0.24 -0.46 -4.83 118.33 118.65 2baj n VAL 30 Ca 0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2baj n VAL 30 Cb 0.38 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 2baj n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2baj n GLY 31 N 0.10 2.46 3.40 7.63 0.00 -1.20 -4.98 105.19 112.59 2baj n GLY 31 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 2baj n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2baj s SER 32 N 0.00 -0.45 0.00 1.61 0.15 -1.26 -1.28 113.70 112.47 2baj s SER 32 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2baj s SER 32 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2baj s SER 32 CO 0.00 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2baj n GLY 33 N 0.68 1.80 0.26 9.45 0.00 -0.69 -4.90 105.19 111.79 2baj n GLY 33 Ca -0.19 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 44.99 2baj n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baj h ALA 34 N 2.00 1.08 -0.00 4.61 0.00 -1.67 -3.19 119.26 122.09 2baj h ALA 34 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2baj h ALA 34 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2baj h ALA 34 CO 0.00 0.15 -0.86 0.66 0.00 0.00 0.00 179.25 179.19 2baj n TYR 35 N -3.35 0.00 -2.00 0.00 4.01 -0.91 -4.76 117.16 110.15 2baj n TYR 35 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2baj n TYR 35 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2baj n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2baj n GLY 36 N 1.43 -2.04 3.24 2.72 0.00 -1.21 -1.48 105.19 107.86 2baj n GLY 36 Ca 0.04 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 2baj n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2baj s SER 37 N -2.07 1.92 -0.04 1.61 0.01 -0.21 -1.71 113.70 113.20 2baj s SER 37 Ca 0.00 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2baj s SER 37 Cb 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2baj s SER 37 CO 0.00 -0.20 -0.09 -0.69 0.41 0.00 0.00 173.24 172.67 2baj s VAL 38 N -2.49 0.85 0.05 3.43 1.01 -0.41 -1.78 120.40 121.05 2baj s VAL 38 Ca 0.11 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2baj s VAL 38 Cb -0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2baj s VAL 38 CO 0.02 0.28 -0.20 0.00 0.00 0.00 0.00 175.10 175.20 2baj s ALA 40 N -0.93 2.75 0.05 0.00 0.00 -0.55 -0.01 121.76 123.07 2baj s ALA 40 Ca 0.14 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 2baj s ALA 40 Cb -0.10 -3.08 0.10 0.00 0.00 0.00 0.00 23.12 20.03 2baj s ALA 40 CO 0.05 -1.20 1.13 0.00 0.00 0.00 0.00 175.76 175.75 2baj s ALA 41 N -3.22 -1.97 -0.10 0.00 0.00 0.02 -1.50 121.76 114.99 2baj s ALA 41 Ca 0.58 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.06 2baj s ALA 41 Cb -0.12 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 2baj s ALA 41 CO 0.53 -1.02 -0.19 0.12 0.00 0.00 0.00 175.76 175.20 2baj s PHE 42 N -2.81 2.64 -0.37 0.00 5.36 -0.03 -1.09 117.98 121.69 2baj s PHE 42 Ca 0.13 -0.78 -0.16 0.00 -0.96 0.00 0.00 56.93 55.16 2baj s PHE 42 Cb 0.02 -1.73 -0.00 0.00 -0.34 0.00 0.00 43.02 40.96 2baj s PHE 42 CO -0.01 -0.27 0.39 0.34 -1.46 0.00 0.00 175.22 174.21 2baj s ASP 43 N 0.18 6.19 0.39 6.13 2.15 -0.59 -0.66 116.67 130.46 2baj s ASP 43 Ca -0.11 -0.39 0.20 0.00 0.43 0.00 0.00 52.55 52.68 2baj s ASP 43 Cb -0.16 -2.21 0.68 0.00 -0.30 0.00 0.00 42.92 40.94 2baj s ASP 43 CO 0.06 -0.42 1.73 0.71 -0.17 0.00 0.00 175.17 177.08 2baj h THR 44 N 5.60 0.76 0.53 1.71 1.35 -0.67 0.35 112.91 122.55 2baj h THR 44 Ca -0.29 -1.46 -0.03 0.00 -0.55 0.00 0.00 66.41 64.09 2baj h THR 44 Cb 1.13 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 69.49 2baj h THR 44 CO 0.73 0.33 -0.25 0.50 -0.25 0.00 0.00 175.52 176.57 2baj h LYS 45 N 0.00 -0.68 0.00 4.72 3.64 -1.93 -3.33 116.57 118.99 2baj h LYS 45 Ca -0.00 0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2baj h LYS 45 Cb 0.91 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2baj h LYS 45 CO 0.04 -0.38 -0.78 1.79 -2.27 0.00 0.00 179.45 177.86 2baj h THR 46 N -0.91 0.91 0.00 1.00 1.35 -1.94 -3.48 112.91 109.84 2baj h THR 46 Ca -0.07 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2baj h THR 46 Cb 0.61 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2baj h THR 46 CO 0.12 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2baj n GLY 47 N 1.28 0.74 3.78 5.82 0.00 0.11 -5.05 105.19 111.86 2baj n GLY 47 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2baj n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2baj s LEU 48 N 0.00 3.44 0.21 0.99 1.43 -1.20 -4.90 118.68 118.66 2baj s LEU 48 Ca 0.00 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2baj s LEU 48 Cb 0.00 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 2baj s LEU 48 CO 0.00 -0.26 0.54 -0.13 0.23 0.00 0.00 176.35 176.73 2baj s ARG 49 N -3.88 3.82 0.11 1.70 0.52 -1.26 -1.54 118.95 118.41 2baj s ARG 49 Ca 0.38 0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 55.82 2baj s ARG 49 Cb -0.05 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2baj s ARG 49 CO 0.24 0.35 0.13 0.14 0.02 0.00 0.00 175.30 176.18 2baj s VAL 50 N -1.76 0.13 0.17 3.52 -7.23 -0.25 -2.69 120.40 112.29 2baj s VAL 50 Ca 0.46 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 2baj s VAL 50 Cb -0.12 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2baj s VAL 50 CO 0.21 -0.59 0.02 0.00 -0.31 0.00 0.00 175.10 174.43 2baj s ALA 51 N -3.95 3.26 -0.03 1.32 0.00 -0.29 -0.80 121.76 121.26 2baj s ALA 51 Ca 0.14 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 2baj s ALA 51 Cb 0.06 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.16 2baj s ALA 51 CO -0.05 0.49 0.02 0.08 0.00 0.00 0.00 175.76 176.30 2baj s VAL 52 N -1.74 0.03 -0.26 0.00 1.01 0.99 -1.84 120.40 118.60 2baj s VAL 52 Ca 0.28 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 2baj s VAL 52 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2baj s VAL 52 CO 0.19 0.14 0.06 -0.75 0.00 0.00 0.00 175.10 174.74 2baj s LYS 53 N 1.34 3.50 -0.37 2.72 2.20 -0.50 -0.96 119.74 127.67 2baj s LYS 53 Ca -0.05 -0.58 -0.20 0.00 -0.36 0.00 0.00 55.97 54.78 2baj s LYS 53 Cb -0.13 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2baj s LYS 53 CO -0.03 -0.25 0.60 0.21 -0.36 0.00 0.00 175.35 175.53 2baj s LYS 54 N 1.57 3.60 0.41 4.03 2.20 -0.74 -1.34 119.74 129.47 2baj s LYS 54 Ca 0.06 -0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.33 2baj s LYS 54 Cb -0.15 -3.83 -0.10 0.00 -1.51 0.00 0.00 37.83 32.24 2baj s LYS 54 CO 0.02 -0.75 1.43 -0.51 -0.36 0.00 0.00 175.35 175.18 2baj s LEU 55 N 2.63 4.23 -0.31 5.43 2.01 -0.91 -1.05 118.68 130.71 2baj s LEU 55 Ca 0.22 2.92 -0.16 0.00 0.01 0.00 0.00 54.13 57.13 2baj s LEU 55 Cb -0.15 -3.80 -0.02 0.00 0.01 0.00 0.00 46.19 42.23 2baj s LEU 55 CO 0.15 -0.96 0.42 -0.55 1.01 0.00 0.00 176.35 176.41 2baj s SER 56 N -0.39 6.26 -1.24 2.29 0.15 -0.55 -4.42 113.70 115.80 2baj s SER 56 Ca 0.56 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 57.18 2baj s SER 56 Cb -0.44 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2baj s SER 56 CO 0.58 -0.31 0.69 0.54 1.20 0.00 0.00 173.24 175.93 2baj n ARG 57 N 5.47 -2.64 0.30 5.44 1.74 -1.26 -4.82 116.66 120.89 2baj n ARG 57 Ca -0.07 0.51 0.15 0.00 -0.77 0.00 0.00 57.85 57.67 2baj n ARG 57 Cb 0.50 -4.57 0.93 0.00 -1.02 0.00 0.00 32.46 28.29 2baj n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2baj h PRO 58 N -1.83 0.00 -0.63 5.56 0.13 -1.77 -2.72 132.00 130.75 2baj h PRO 58 Ca -0.64 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.04 2baj h PRO 58 Cb 1.36 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.10 2baj h PRO 58 CO 0.53 0.01 -0.86 1.19 -0.23 0.00 0.00 178.00 178.64 2baj n PHE 59 N -3.79 2.24 -0.04 1.56 3.72 -1.26 -1.99 117.46 117.89 2baj n PHE 59 Ca -0.03 -2.13 -0.17 0.00 -0.05 0.00 0.00 57.45 55.07 2baj n PHE 59 Cb 0.09 -0.31 -0.14 0.00 -0.94 0.00 0.00 39.48 38.18 2baj n PHE 59 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2baj n GLN 60 N -0.70 0.70 -4.46 -1.08 7.27 -1.03 -4.95 117.38 113.15 2baj n GLN 60 Ca 0.35 0.21 -0.22 0.00 0.07 0.00 0.00 57.00 57.41 2baj n GLN 60 Cb 0.92 -1.66 -0.11 0.00 2.41 0.00 0.00 30.24 31.81 2baj n GLN 60 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2baj s SER 61 N -6.59 2.64 0.21 1.69 1.04 -1.26 -5.05 113.70 106.38 2baj s SER 61 Ca -0.21 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 54.91 2baj s SER 61 Cb 0.07 -0.14 0.17 0.00 0.10 0.00 0.00 66.02 66.22 2baj s SER 61 CO 0.74 -0.50 1.52 -0.29 0.98 0.00 0.00 173.24 175.69 2baj h ILE 62 N 2.14 1.36 0.22 -1.02 2.10 -1.95 -1.79 117.51 118.57 2baj h ILE 62 Ca -0.41 -1.92 0.01 0.00 1.08 0.00 0.00 64.86 63.62 2baj h ILE 62 Cb 1.24 1.92 -0.03 0.00 -1.09 0.00 0.00 36.82 38.86 2baj h ILE 62 CO 0.70 0.58 -0.33 0.40 -1.08 0.00 0.00 178.15 178.43 2baj h ILE 63 N 0.29 0.32 -0.92 2.19 1.08 -1.96 -1.30 117.51 117.21 2baj h ILE 63 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2baj h ILE 63 Cb 1.13 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 2baj h ILE 63 CO 0.10 0.00 0.56 0.45 -0.69 0.00 0.00 178.15 178.57 2baj h HIS 64 N -0.61 1.21 -0.13 1.37 3.86 -1.80 -1.62 115.15 117.43 2baj h HIS 64 Ca 0.01 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2baj h HIS 64 Cb 0.60 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2baj h HIS 64 CO -0.24 0.80 0.04 0.00 0.86 0.00 0.00 177.93 179.39 2baj h ALA 65 N 1.31 0.17 -0.27 2.45 0.00 -0.68 0.24 119.26 122.48 2baj h ALA 65 Ca 0.33 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2baj h ALA 65 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2baj h ALA 65 CO -0.06 -0.22 -0.37 -0.22 0.00 0.00 0.00 179.25 178.38 2baj h LYS 66 N 0.04 0.72 -0.99 0.00 3.64 -1.19 -2.67 116.57 116.13 2baj h LYS 66 Ca 0.04 -0.42 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2baj h LYS 66 Cb 0.21 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2baj h LYS 66 CO -0.00 1.04 0.65 -0.09 -2.27 0.00 0.00 179.45 178.78 2baj h ARG 67 N 0.46 1.24 -0.34 1.90 2.43 -1.12 0.19 114.38 119.13 2baj h ARG 67 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2baj h ARG 67 Cb 0.96 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2baj h ARG 67 CO 0.09 0.82 0.15 1.15 -1.51 0.00 0.00 179.97 180.67 2baj h THR 68 N 1.28 1.18 -0.48 0.20 2.02 -0.34 -0.54 112.91 116.23 2baj h THR 68 Ca 0.38 -0.54 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 2baj h THR 68 Cb -0.06 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2baj h THR 68 CO -0.10 0.19 -0.18 0.22 0.37 0.00 0.00 175.52 176.02 2baj h TYR 69 N 0.41 1.11 0.43 3.16 3.20 -1.07 -2.17 116.97 122.04 2baj h TYR 69 Ca 0.12 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2baj h TYR 69 Cb 0.17 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2baj h TYR 69 CO -0.01 1.07 -0.21 -0.09 -1.64 0.00 0.00 178.16 177.29 2baj h ARG 70 N 0.82 -0.56 -0.81 1.82 2.43 -0.50 -0.05 114.38 117.53 2baj h ARG 70 Ca 0.11 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2baj h ARG 70 Cb 0.75 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 2baj h ARG 70 CO 0.06 -0.36 0.52 1.49 -1.51 0.00 0.00 179.97 180.17 2baj h GLU 71 N -0.60 0.96 -0.19 0.20 4.81 -1.04 0.20 114.58 118.93 2baj h GLU 71 Ca -0.06 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 2baj h GLU 71 Cb 0.46 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2baj h GLU 71 CO 0.10 0.63 -0.24 1.25 -0.73 0.00 0.00 179.01 180.02 2baj h LEU 72 N 0.99 0.53 -0.56 1.64 5.85 -1.24 -0.59 115.31 121.94 2baj h LEU 72 Ca 0.33 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2baj h LEU 72 Cb 0.05 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2baj h LEU 72 CO -0.13 0.93 0.28 0.03 -0.34 0.00 0.00 178.44 179.21 2baj h ARG 73 N 0.15 0.51 -0.37 1.25 2.47 -0.79 -0.55 114.38 117.04 2baj h ARG 73 Ca 0.02 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 2baj h ARG 73 Cb 0.81 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 2baj h ARG 73 CO 0.06 0.34 0.19 1.25 0.56 0.00 0.00 179.97 182.37 2baj h LEU 74 N 0.53 0.30 -0.36 3.04 7.12 -0.70 -2.67 115.31 122.56 2baj h LEU 74 Ca 0.26 0.01 -0.08 0.00 0.13 0.00 0.00 57.88 58.20 2baj h LEU 74 Cb 0.19 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 2baj h LEU 74 CO -0.19 0.22 -0.40 -0.07 -0.13 0.00 0.00 178.44 177.87 2baj h LEU 75 N 0.40 0.00 -0.59 2.25 3.38 -0.75 -2.25 115.31 117.75 2baj h LEU 75 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2baj h LEU 75 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2baj h LEU 75 CO -0.10 0.40 -0.70 0.11 0.09 0.00 0.00 178.44 178.24 2baj h LYS 76 N 0.00 0.02 0.02 1.13 1.57 -1.00 -3.24 116.57 115.08 2baj h LYS 76 Ca -0.00 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.54 2baj h LYS 76 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2baj h LYS 76 CO 0.05 0.71 -0.99 1.25 -0.57 0.00 0.00 179.45 179.90 2baj h HIS 77 N 0.02 0.08 -2.10 -1.35 2.76 -1.11 -3.45 115.15 110.00 2baj h HIS 77 Ca -0.01 -0.06 -0.51 0.00 -2.20 0.00 0.00 60.37 57.59 2baj h HIS 77 Cb 1.24 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.16 2baj h HIS 77 CO 0.00 1.00 1.32 -1.64 -1.30 0.00 0.00 177.93 177.32 2baj s MET 78 N -2.81 2.74 -0.57 5.26 -1.94 -0.89 -4.90 119.30 116.20 2baj s MET 78 Ca -0.00 0.64 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 2baj s MET 78 Cb 0.10 -4.35 0.15 0.00 2.01 0.00 0.00 34.83 32.73 2baj s MET 78 CO 0.82 -2.60 0.34 0.15 -0.01 0.00 0.00 175.02 173.73 2baj s LYS 79 N 6.80 2.03 -0.23 2.03 1.02 -1.26 -4.52 119.74 125.61 2baj s LYS 79 Ca 0.66 -2.79 -0.22 0.00 0.02 0.00 0.00 55.97 53.64 2baj s LYS 79 Cb -0.13 -3.17 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 2baj s LYS 79 CO 0.22 -1.19 0.63 -1.58 -0.92 0.00 0.00 175.35 172.50 2baj s HIS 80 N -0.62 -0.69 0.47 3.18 2.46 -1.26 -5.06 115.29 113.78 2baj s HIS 80 Ca 0.20 1.68 0.12 0.00 0.47 0.00 0.00 55.06 57.53 2baj s HIS 80 Cb -0.17 0.24 1.10 0.00 -0.13 0.00 0.00 32.58 33.61 2baj s HIS 80 CO -0.07 -0.33 2.11 0.93 -2.47 0.00 0.00 174.74 174.91 2baj h GLU 81 N 5.16 0.21 -0.57 2.88 3.07 -1.97 -2.22 114.58 121.15 2baj h GLU 81 Ca -0.28 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2baj h GLU 81 Cb 1.17 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2baj h GLU 81 CO 0.11 0.15 0.00 0.09 -1.40 0.00 0.00 179.01 177.96 2baj n ASN 82 N -4.51 5.65 -3.96 1.42 5.03 -1.26 -4.66 115.26 112.98 2baj n ASN 82 Ca -0.01 -2.92 -0.14 0.00 0.87 0.00 0.00 54.58 52.38 2baj n ASN 82 Cb 0.08 -0.68 -0.14 0.00 -1.02 0.00 0.00 39.78 38.03 2baj n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2baj s VAL 83 N -2.74 0.33 0.21 2.41 1.01 -0.83 -1.59 120.40 119.20 2baj s VAL 83 Ca 0.54 -0.38 -0.32 0.00 0.00 0.00 0.00 61.98 61.82 2baj s VAL 83 Cb 0.41 -0.32 -0.14 0.00 0.00 0.00 0.00 36.38 36.33 2baj s VAL 83 CO 0.16 -0.04 1.37 0.00 0.00 0.00 0.00 175.10 176.59 2baj n ILE 84 N 2.61 0.84 -4.76 2.22 0.13 -0.63 -4.52 119.36 115.25 2baj n ILE 84 Ca -0.15 -0.21 -0.24 0.00 -1.10 0.00 0.00 62.75 61.05 2baj n ILE 84 Cb 0.58 -1.33 -0.15 0.00 -0.84 0.00 0.00 39.64 37.90 2baj n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2baj s GLY 85 N 0.28 0.78 -0.16 4.50 0.00 -1.26 -4.76 107.32 106.70 2baj s GLY 85 Ca 0.70 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 44.44 2baj s GLY 85 CO 0.49 -0.57 1.34 -2.27 0.00 0.00 0.00 173.10 172.09 2baj s LEU 86 N -0.37 4.17 0.10 0.66 2.96 -1.24 -4.44 118.68 120.51 2baj s LEU 86 Ca 0.06 1.73 0.10 0.00 -0.22 0.00 0.00 54.13 55.80 2baj s LEU 86 Cb -0.06 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.91 2baj s LEU 86 CO -0.01 -0.83 1.12 -0.07 -1.32 0.00 0.00 176.35 175.24 2baj h LEU 87 N 9.97 0.00 -7.00 -0.68 4.07 -1.06 -3.42 115.31 117.20 2baj h LEU 87 Ca -0.29 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.77 2baj h LEU 87 Cb 1.12 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.68 2baj h LEU 87 CO 0.97 0.92 0.49 -0.62 -1.08 0.00 0.00 178.44 179.12 2baj s ASP 88 N -6.47 -0.38 -0.06 -0.43 2.15 -0.98 -4.66 116.67 105.83 2baj s ASP 88 Ca -0.00 0.17 -0.05 0.00 0.43 0.00 0.00 52.55 53.10 2baj s ASP 88 Cb 0.09 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 2baj s ASP 88 CO 0.81 -0.53 0.15 0.54 -0.17 0.00 0.00 175.17 175.98 2baj s VAL 89 N -2.36 0.00 0.13 1.11 0.11 -1.26 -0.53 120.40 117.60 2baj s VAL 89 Ca 0.02 -0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 2baj s VAL 89 Cb -0.01 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.66 2baj s VAL 89 CO -0.04 -0.01 0.49 0.72 -3.33 0.00 0.00 175.10 172.92 2baj s PHE 90 N 0.05 -0.35 -0.02 1.54 -0.12 -0.19 -5.00 117.98 113.88 2baj s PHE 90 Ca -0.00 0.11 -0.06 0.00 -0.05 0.00 0.00 56.93 56.93 2baj s PHE 90 Cb -0.01 0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 2baj s PHE 90 CO 0.00 -0.75 0.13 -0.08 -0.05 0.00 0.00 175.22 174.47 2baj s THR 91 N -3.66 0.05 -0.27 -4.49 -1.32 -1.26 -2.32 115.64 102.37 2baj s THR 91 Ca 0.01 -0.38 0.26 0.00 -1.21 0.00 0.00 61.69 60.38 2baj s THR 91 Cb 0.01 -0.32 0.28 0.00 -1.51 0.00 0.00 72.50 70.96 2baj s THR 91 CO -0.11 -0.21 1.79 1.55 -2.21 0.00 0.00 174.62 175.43 2baj h PRO 92 N 5.07 0.00 -6.75 7.08 0.13 -1.82 -3.45 132.00 132.25 2baj h PRO 92 Ca -0.28 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.30 2baj h PRO 92 Cb 1.20 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.41 2baj h PRO 92 CO 0.41 0.00 0.81 0.00 -0.23 0.00 0.00 178.00 178.99 2baj n ALA 93 N -1.86 2.20 0.02 -0.56 0.00 -1.26 -4.90 120.51 114.15 2baj n ALA 93 Ca 0.01 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.90 2baj n ALA 93 Cb 0.22 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.15 2baj n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2baj n ARG 94 N 2.01 0.64 -4.02 0.00 1.74 -1.26 -4.79 116.66 110.98 2baj n ARG 94 Ca 0.09 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 2baj n ARG 94 Cb 0.36 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 2baj n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2baj s SER 95 N -5.07 -0.05 0.45 0.55 1.04 -1.26 -4.93 113.70 104.42 2baj s SER 95 Ca -0.05 -0.98 0.25 0.00 0.48 0.00 0.00 55.95 55.65 2baj s SER 95 Cb 0.11 0.57 1.27 0.00 0.10 0.00 0.00 66.02 68.07 2baj s SER 95 CO 0.85 -1.12 1.78 0.25 0.98 0.00 0.00 173.24 175.98 2baj h LEU 96 N 2.28 0.28 -1.37 2.42 5.85 -1.96 -0.78 115.31 122.04 2baj h LEU 96 Ca -0.27 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2baj h LEU 96 Cb 1.25 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2baj h LEU 96 CO 0.37 0.04 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.25 2baj h GLU 97 N 0.24 0.00 -0.03 1.25 4.81 -2.01 -2.09 114.58 116.75 2baj h GLU 97 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2baj h GLU 97 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 2baj h GLU 97 CO -0.21 0.18 -0.06 0.39 -0.73 0.00 0.00 179.01 178.59 2baj n GLU 98 N -3.42 2.16 -2.44 1.92 1.02 -0.33 -4.94 120.64 114.60 2baj n GLU 98 Ca -0.00 -1.80 -0.41 0.00 -0.02 0.00 0.00 57.16 54.92 2baj n GLU 98 Cb 0.37 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 2baj n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2baj s PHE 99 N -2.03 2.30 0.00 -0.32 5.36 -0.79 -4.54 117.98 117.96 2baj s PHE 99 Ca 0.27 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 2baj s PHE 99 Cb 0.20 -4.45 0.00 0.00 -0.34 0.00 0.00 43.02 38.42 2baj s PHE 99 CO 0.33 -1.95 0.00 0.09 -1.46 0.00 0.00 175.22 172.23 2baj n ASN 100 N 9.53 0.14 -3.89 6.13 3.02 -1.26 -5.03 115.26 123.90 2baj n ASN 100 Ca 0.10 -0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 2baj n ASN 100 Cb 0.49 0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.70 2baj n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2baj s ASP 101 N -0.20 0.04 -0.02 6.41 1.01 -1.26 -4.41 116.67 118.24 2baj s ASP 101 Ca 0.00 -0.08 0.06 0.00 0.71 0.00 0.00 52.55 53.25 2baj s ASP 101 Cb 0.00 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.94 2baj s ASP 101 CO 0.00 -0.05 -0.21 -0.69 0.21 0.00 0.00 175.17 174.43 2baj s VAL 102 N -0.25 1.62 -0.05 -1.27 1.01 -1.26 -4.60 120.40 115.61 2baj s VAL 102 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2baj s VAL 102 Cb -0.02 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2baj s VAL 102 CO -0.00 0.46 -0.00 -0.31 0.00 0.00 0.00 175.10 175.25 2baj s TYR 103 N -0.46 0.50 0.03 5.22 1.51 -0.98 -2.15 117.35 121.02 2baj s TYR 103 Ca 0.07 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.14 2baj s TYR 103 Cb -0.08 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 2baj s TYR 103 CO -0.01 -0.21 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.50 2baj s LEU 104 N 1.42 2.46 -0.07 -1.29 1.43 -0.45 -1.02 118.68 121.17 2baj s LEU 104 Ca -0.04 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2baj s LEU 104 Cb -0.13 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2baj s LEU 104 CO -0.03 0.27 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 2baj s VAL 105 N -0.86 1.50 0.40 -1.59 1.01 0.31 -1.41 120.40 119.76 2baj s VAL 105 Ca 0.13 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2baj s VAL 105 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2baj s VAL 105 CO 0.04 0.43 0.18 0.28 0.00 0.00 0.00 175.10 176.03 2baj s THR 106 N 0.45 0.40 0.31 3.92 -1.32 -0.77 -0.37 115.64 118.25 2baj s THR 106 Ca -0.14 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.05 2baj s THR 106 Cb -0.16 -2.35 -0.11 0.00 -1.51 0.00 0.00 72.50 68.37 2baj s THR 106 CO 0.05 0.00 1.49 -1.00 -2.21 0.00 0.00 174.62 172.95 2baj s HIS 107 N -3.26 2.81 -0.15 9.09 3.76 -1.26 -1.14 115.29 125.13 2baj s HIS 107 Ca 0.27 1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 55.96 2baj s HIS 107 Cb 0.02 -3.95 -0.02 0.00 1.11 0.00 0.00 32.58 29.74 2baj s HIS 107 CO 0.18 -2.98 0.80 -1.17 -0.85 0.00 0.00 174.74 170.72 2baj s LEU 108 N -1.08 4.19 -0.15 0.89 2.96 -1.10 -4.41 118.68 119.99 2baj s LEU 108 Ca 0.58 1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 55.58 2baj s LEU 108 Cb -0.45 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2baj s LEU 108 CO 0.52 -0.35 0.08 -0.04 -1.32 0.00 0.00 176.35 175.24 2baj s MET 109 N 1.93 3.66 0.00 1.98 -1.94 -1.26 -4.80 119.30 118.87 2baj s MET 109 Ca 0.38 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 2baj s MET 109 Cb -0.17 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.52 2baj s MET 109 CO 0.13 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.06 2baj n GLY 110 N 2.81 0.00 0.00 -0.03 0.00 -0.68 -4.62 105.19 102.67 2baj n GLY 110 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2baj n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baj n ALA 111 N -0.02 0.00 -3.00 4.61 0.00 -0.73 -5.00 120.51 116.38 2baj n ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2baj n ALA 111 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2baj n ALA 111 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2baj n ASP 112 N 0.00 0.80 -0.01 0.00 5.68 -1.26 -1.48 116.55 120.28 2baj n ASP 112 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 2baj n ASP 112 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2baj n ASP 112 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2baj n LEU 113 N 0.00 0.32 -3.33 -2.12 0.00 -1.14 -4.78 117.00 105.95 2baj n LEU 113 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 56.01 55.55 2baj n LEU 113 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2baj n LEU 113 CO 0.00 0.08 0.20 -0.46 0.00 0.00 0.00 177.39 177.21 2baj n ASN 114 N -1.90 4.24 -4.52 1.96 6.94 -1.26 -5.00 115.26 115.73 2baj n ASN 114 Ca -0.01 -3.52 -0.31 0.00 -0.02 0.00 0.00 54.58 50.72 2baj n ASN 114 Cb 0.42 -0.69 -0.14 0.00 -2.36 0.00 0.00 39.78 37.01 2baj n ASN 114 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2baj n ASP 125 N 0.55 0.30 0.13 0.53 -0.08 -1.26 -4.97 116.55 111.75 2baj n ASP 125 Ca 0.30 -0.38 0.08 0.00 -1.51 0.00 0.00 54.79 53.29 2baj n ASP 125 Cb 0.40 -1.01 0.03 0.00 2.34 0.00 0.00 41.12 42.87 2baj n ASP 125 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2baj h HIS 126 N 13.10 0.00 0.07 -0.67 2.07 -2.02 -3.16 115.15 124.55 2baj h HIS 126 Ca -0.05 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.37 2baj h HIS 126 Cb 1.21 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.20 2baj h HIS 126 CO 1.17 0.16 -0.44 0.28 -3.07 0.00 0.00 177.93 176.03 2baj h VAL 127 N 0.00 1.63 -0.58 6.12 2.07 -1.98 -1.47 116.25 122.04 2baj h VAL 127 Ca -0.03 -2.42 0.10 0.00 0.82 0.00 0.00 66.70 65.17 2baj h VAL 127 Cb 1.15 3.25 -0.08 0.00 -1.52 0.00 0.00 31.29 34.10 2baj h VAL 127 CO 0.02 0.66 0.17 -0.61 0.02 0.00 0.00 177.57 177.83 2baj h GLN 128 N -0.63 0.32 -0.47 1.57 4.15 -1.96 -0.07 115.11 118.01 2baj h GLN 128 Ca -0.08 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 2baj h GLN 128 Cb 1.34 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2baj h GLN 128 CO 0.08 0.21 -0.14 0.35 -1.93 0.00 0.00 178.83 177.40 2baj h PHE 129 N 0.33 1.06 0.00 3.99 3.57 -1.56 0.69 116.94 125.01 2baj h PHE 129 Ca 0.30 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2baj h PHE 129 Cb 0.40 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2baj h PHE 129 CO -0.20 1.03 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.84 2baj h LEU 130 N 0.78 -0.00 -0.38 0.59 3.38 -1.00 -1.98 115.31 116.71 2baj h LEU 130 Ca 0.12 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2baj h LEU 130 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2baj h LEU 130 CO 0.05 0.52 0.24 0.40 0.09 0.00 0.00 178.44 179.73 2baj h ILE 131 N -0.52 1.11 -0.52 1.22 1.08 -0.98 -0.40 117.51 118.51 2baj h ILE 131 Ca -0.00 -0.25 0.10 0.00 -0.39 0.00 0.00 64.86 64.32 2baj h ILE 131 Cb 0.52 0.60 -0.11 0.00 -3.07 0.00 0.00 36.82 34.76 2baj h ILE 131 CO 0.00 0.11 -0.27 0.22 -0.69 0.00 0.00 178.15 177.52 2baj h TYR 132 N 0.50 -0.73 -0.95 1.37 3.20 -0.85 -0.26 116.97 119.25 2baj h TYR 132 Ca 0.14 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.11 2baj h TYR 132 Cb -0.02 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 2baj h TYR 132 CO -0.04 -0.35 0.62 1.96 -1.64 0.00 0.00 178.16 178.71 2baj h GLN 133 N -0.15 1.14 -0.50 1.82 4.20 -0.44 -1.00 115.11 120.18 2baj h GLN 133 Ca 0.23 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2baj h GLN 133 Cb 0.51 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2baj h GLN 133 CO -0.60 0.76 0.13 0.82 -0.67 0.00 0.00 178.83 179.27 2baj h ILE 134 N 1.18 1.24 -0.32 2.54 2.04 0.49 -1.97 117.51 122.71 2baj h ILE 134 Ca 0.38 -0.82 -0.12 0.00 1.00 0.00 0.00 64.86 65.30 2baj h ILE 134 Cb 0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2baj h ILE 134 CO -0.12 0.30 -0.28 -0.07 0.00 0.00 0.00 178.15 177.98 2baj h LEU 135 N 0.69 0.80 -1.37 1.44 3.38 -0.73 -0.17 115.31 119.33 2baj h LEU 135 Ca 0.16 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.76 2baj h LEU 135 Cb 0.31 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2baj h LEU 135 CO -0.00 1.09 0.50 -0.09 0.09 0.00 0.00 178.44 180.03 2baj h ARG 136 N 0.51 0.69 0.03 1.13 2.43 -1.07 0.31 114.38 118.42 2baj h ARG 136 Ca 0.06 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 2baj h ARG 136 Cb 0.85 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2baj h ARG 136 CO 0.07 0.46 -0.99 0.78 -1.51 0.00 0.00 179.97 178.78 2baj h GLY 137 N 0.71 0.21 1.20 2.80 0.00 -1.13 -3.22 103.07 103.65 2baj h GLY 137 Ca 0.35 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 2baj h GLY 137 CO -0.13 0.39 -0.42 1.41 0.00 0.00 0.00 176.54 177.79 2baj h LEU 138 N 0.09 0.94 -0.70 3.11 3.38 0.00 -0.78 115.31 121.35 2baj h LEU 138 Ca -0.06 -0.44 0.13 0.00 0.09 0.00 0.00 57.88 57.59 2baj h LEU 138 Cb 1.67 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 42.06 2baj h LEU 138 CO 0.15 1.22 0.26 0.50 0.09 0.00 0.00 178.44 180.66 2baj h LYS 139 N 0.71 0.40 -0.06 1.13 3.64 -0.53 0.11 116.57 121.97 2baj h LYS 139 Ca 0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2baj h LYS 139 Cb 1.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2baj h LYS 139 CO 0.10 0.26 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.49 2baj h TYR 140 N 0.41 0.25 0.51 1.91 5.03 -1.53 -1.29 116.97 122.26 2baj h TYR 140 Ca 0.38 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.58 2baj h TYR 140 Cb 0.55 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 2baj h TYR 140 CO -0.18 0.74 -0.48 0.82 -1.32 0.00 0.00 178.16 177.73 2baj h ILE 141 N -0.31 0.05 -0.53 1.81 2.04 -1.03 -2.56 117.51 116.98 2baj h ILE 141 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2baj h ILE 141 Cb 0.73 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2baj h ILE 141 CO 0.03 0.00 0.36 0.45 0.00 0.00 0.00 178.15 178.99 2baj h HIS 142 N -0.99 0.36 0.00 1.37 3.86 -0.81 -1.17 115.15 117.77 2baj h HIS 142 Ca -0.06 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 2baj h HIS 142 Cb 0.86 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2baj h HIS 142 CO -0.23 0.18 -0.19 0.66 0.86 0.00 0.00 177.93 179.21 2baj h SER 143 N 0.34 0.00 -0.36 2.45 4.64 -0.82 -1.11 113.55 118.70 2baj h SER 143 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2baj h SER 143 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2baj h SER 143 CO -0.06 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2baj n ALA 144 N -2.26 3.05 -3.62 5.18 0.00 -0.45 -4.77 120.51 117.64 2baj n ALA 144 Ca -0.01 -1.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.20 2baj n ALA 144 Cb 0.34 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.81 2baj n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2baj n ASP 145 N 0.48 -3.78 -4.21 0.00 8.00 -0.42 -4.67 116.55 111.94 2baj n ASP 145 Ca 0.16 -0.66 -0.33 0.00 0.71 0.00 0.00 54.79 54.67 2baj n ASP 145 Cb 0.67 -4.67 -0.16 0.00 -0.02 0.00 0.00 41.12 36.94 2baj n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2baj s ILE 146 N -3.40 2.32 -0.08 0.53 1.01 -1.21 -5.04 121.20 115.33 2baj s ILE 146 Ca 0.31 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 2baj s ILE 146 Cb -0.14 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2baj s ILE 146 CO 0.76 0.53 0.41 -0.63 0.00 0.00 0.00 174.94 176.02 2baj s ILE 147 N 0.81 5.15 -0.00 2.92 1.01 -1.26 -3.46 121.20 126.36 2baj s ILE 147 Ca -0.06 0.83 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 2baj s ILE 147 Cb -0.15 -3.74 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 2baj s ILE 147 CO -0.01 0.44 1.12 -0.74 0.00 0.00 0.00 174.94 175.75 2baj h HIS 148 N 5.92 -0.42 0.00 3.97 -0.00 -1.98 -3.47 115.15 119.17 2baj h HIS 148 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2baj h HIS 148 Cb 1.19 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.74 2baj h HIS 148 CO 0.65 -0.08 0.00 0.54 -0.00 0.00 0.00 177.93 179.04 2baj n ARG 149 N -5.13 0.00 -2.04 5.26 1.74 -1.26 -4.77 116.66 110.46 2baj n ARG 149 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2baj n ARG 149 Cb 0.27 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 2baj n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2baj n ASP 150 N 0.00 0.61 -4.72 0.55 2.03 -1.26 -5.03 116.55 108.73 2baj n ASP 150 Ca 0.00 -2.03 -0.43 0.00 0.52 0.00 0.00 54.79 52.85 2baj n ASP 150 Cb 0.00 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 2baj n ASP 150 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2baj n LEU 151 N -0.21 3.96 -3.58 -2.67 7.99 -1.26 -4.84 117.00 116.39 2baj n LEU 151 Ca -0.01 1.08 -0.08 0.00 -0.01 0.00 0.00 56.01 56.99 2baj n LEU 151 Cb 0.93 -1.56 -0.02 0.00 -0.11 0.00 0.00 43.42 42.66 2baj n LEU 151 CO -0.03 0.11 0.58 -1.59 -1.51 0.00 0.00 177.39 174.95 2baj s LYS 152 N 0.73 1.15 0.45 3.23 -2.85 -1.26 -4.88 119.74 116.32 2baj s LYS 152 Ca 0.73 -0.51 0.21 0.00 -1.00 0.00 0.00 55.97 55.40 2baj s LYS 152 Cb -0.53 0.47 1.20 0.00 -2.06 0.00 0.00 37.83 36.92 2baj s LYS 152 CO 0.37 -0.51 1.87 -1.35 0.10 0.00 0.00 175.35 175.83 2baj h PRO 153 N 2.00 0.27 0.00 1.78 0.11 -1.93 -0.39 132.00 133.84 2baj h PRO 153 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2baj h PRO 153 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2baj h PRO 153 CO 0.31 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 2baj n SER 154 N -4.44 0.18 -1.83 -2.05 3.41 -1.26 -2.08 113.62 105.55 2baj n SER 154 Ca 0.18 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2baj n SER 154 Cb 0.75 -0.57 0.40 0.00 -0.26 0.00 0.00 64.21 64.53 2baj n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2baj n ASN 155 N -1.68 5.55 -3.92 4.04 3.02 -0.16 -4.80 115.26 117.31 2baj n ASN 155 Ca 0.06 -2.84 -0.29 0.00 -0.03 0.00 0.00 54.58 51.47 2baj n ASN 155 Cb 0.31 -0.67 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 2baj n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2baj s LEU 156 N -2.59 2.03 -0.00 3.41 1.43 -0.88 -1.49 118.68 120.59 2baj s LEU 156 Ca 0.54 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2baj s LEU 156 Cb 0.40 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 2baj s LEU 156 CO 0.18 -0.20 0.36 0.00 0.23 0.00 0.00 176.35 176.92 2baj s ALA 157 N 1.52 3.74 0.05 4.21 0.00 -0.23 -3.46 121.76 127.59 2baj s ALA 157 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2baj s ALA 157 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2baj s ALA 157 CO -0.07 0.53 -0.12 0.08 0.00 0.00 0.00 175.76 176.17 2baj s VAL 158 N -1.14 0.92 0.05 0.00 1.01 -0.55 -0.83 120.40 119.86 2baj s VAL 158 Ca 0.24 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2baj s VAL 158 Cb -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2baj s VAL 158 CO 0.13 -0.20 0.05 -0.46 0.00 0.00 0.00 175.10 174.62 2baj n ASN 159 N 1.55 0.56 -0.20 3.32 0.23 -0.87 -1.69 115.26 118.16 2baj n ASN 159 Ca -0.20 -1.14 -0.07 0.00 -0.53 0.00 0.00 54.58 52.63 2baj n ASN 159 Cb 0.55 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 2baj n ASN 159 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2baj h GLU 160 N 0.00 -0.19 -0.81 -3.83 4.81 -1.96 -2.53 114.58 110.06 2baj h GLU 160 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2baj h GLU 160 Cb 0.11 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2baj h GLU 160 CO 0.04 -0.13 0.00 -3.47 -0.73 0.00 0.00 179.01 174.72 2baj n ASP 161 N -5.42 0.81 -3.50 1.04 2.03 -1.26 -4.83 116.55 105.42 2baj n ASP 161 Ca 0.03 -1.77 -0.26 0.00 0.52 0.00 0.00 54.79 53.31 2baj n ASP 161 Cb 0.35 -0.41 0.03 0.00 -0.72 0.00 0.00 41.12 40.38 2baj n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2baj s GLU 163 N -6.19 4.06 0.16 0.00 2.02 -1.26 -4.75 118.70 112.74 2baj s GLU 163 Ca 0.50 -0.24 0.10 0.00 0.02 0.00 0.00 54.97 55.35 2baj s GLU 163 Cb -0.24 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 2baj s GLU 163 CO 0.61 0.02 -0.17 -1.17 0.02 0.00 0.00 175.26 174.57 2baj s LEU 164 N 1.17 2.70 -0.02 1.80 0.20 -1.26 -2.06 118.68 121.21 2baj s LEU 164 Ca 0.08 -0.66 -0.00 0.00 0.69 0.00 0.00 54.13 54.24 2baj s LEU 164 Cb -0.14 -1.46 0.03 0.00 -0.43 0.00 0.00 46.19 44.19 2baj s LEU 164 CO 0.06 0.14 0.04 -0.54 -0.29 0.00 0.00 176.35 175.75 2baj s LYS 165 N -2.53 -0.02 0.22 1.98 1.02 -0.01 -4.16 119.74 116.24 2baj s LYS 165 Ca 0.21 0.20 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2baj s LYS 165 Cb -0.09 -0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 36.91 2baj s LYS 165 CO 0.12 -0.16 1.02 0.42 -0.92 0.00 0.00 175.35 175.82 2baj s ILE 166 N 1.03 3.93 0.35 2.17 1.01 -0.62 -1.07 121.20 128.00 2baj s ILE 166 Ca -0.09 1.84 -0.06 0.00 0.00 0.00 0.00 60.65 62.34 2baj s ILE 166 Cb -0.12 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2baj s ILE 166 CO -0.03 0.39 0.55 -1.48 0.00 0.00 0.00 174.94 174.37 2baj s LEU 167 N -0.93 0.74 -0.28 2.97 0.05 -0.55 -1.61 118.68 119.07 2baj s LEU 167 Ca 0.44 -1.38 -0.03 0.00 0.05 0.00 0.00 54.13 53.22 2baj s LEU 167 Cb -0.28 1.81 0.11 0.00 -2.05 0.00 0.00 46.19 45.78 2baj s LEU 167 CO 0.35 -1.38 0.18 -0.62 -0.55 0.00 0.00 176.35 174.32 2baj s ASP 168 N -3.19 2.83 0.28 1.48 -1.08 -1.26 -4.68 116.67 111.04 2baj s ASP 168 Ca 0.26 -1.04 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 2baj s ASP 168 Cb -0.02 -0.07 0.64 0.00 -1.46 0.00 0.00 42.92 42.02 2baj s ASP 168 CO 0.18 -0.41 1.71 -0.26 0.52 0.00 0.00 175.17 176.90 2baj h PHE 169 N 8.36 0.63 -4.02 -5.34 -1.00 -1.93 -3.46 116.94 110.18 2baj h PHE 169 Ca -0.18 0.04 -0.39 0.00 2.81 0.00 0.00 57.97 60.25 2baj h PHE 169 Cb 1.05 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.47 2baj h PHE 169 CO 0.27 0.01 -0.55 0.41 -1.61 0.00 0.00 178.31 176.84 2baj n GLY 170 N -1.34 -0.51 0.12 -1.45 0.00 -1.26 -4.90 105.19 95.86 2baj n GLY 170 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.31 2baj n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2baj h LEU 171 N -0.75 0.00 -9.48 0.99 3.38 -1.89 -3.44 115.31 104.13 2baj h LEU 171 Ca -0.49 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.83 2baj h LEU 171 Cb 1.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 2baj h LEU 171 CO 0.55 0.48 -0.64 0.00 0.09 0.00 0.00 178.44 178.92 2baj s ALA 172 N -2.98 3.36 0.14 1.53 0.00 -1.26 -1.54 121.76 121.00 2baj s ALA 172 Ca 0.01 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 2baj s ALA 172 Cb 0.08 -1.31 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 2baj s ALA 172 CO 0.77 0.69 1.56 0.50 0.00 0.00 0.00 175.76 179.28 2baj s ARG 173 N -2.06 4.23 -0.18 0.00 3.52 -1.26 -4.95 118.95 118.25 2baj s ARG 173 Ca 0.24 2.31 -0.29 0.00 -0.13 0.00 0.00 55.73 57.86 2baj s ARG 173 Cb -0.12 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2baj s ARG 173 CO 0.16 -0.61 1.47 -1.01 -0.81 0.00 0.00 175.30 174.51 2baj s HIS 174 N 1.45 2.38 0.18 5.12 3.76 -1.26 -4.96 115.29 121.96 2baj s HIS 174 Ca 0.70 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.29 2baj s HIS 174 Cb -0.42 -3.82 -0.05 0.00 1.11 0.00 0.00 32.58 29.40 2baj s HIS 174 CO 0.31 -2.59 -0.03 -0.08 -0.85 0.00 0.00 174.74 171.50 2baj s THR 175 N 4.34 0.91 0.12 1.30 -1.32 -1.26 -5.06 115.64 114.66 2baj s THR 175 Ca 0.65 -2.01 -0.25 0.00 -1.21 0.00 0.00 61.69 58.87 2baj s THR 175 Cb -0.24 -2.11 -0.06 0.00 -1.51 0.00 0.00 72.50 68.58 2baj s THR 175 CO 0.24 -0.51 1.66 0.44 -2.21 0.00 0.00 174.62 174.24 2baj h ASP 176 N 2.66 -0.57 -0.31 8.08 5.19 -2.05 -2.94 116.42 126.48 2baj h ASP 176 Ca -0.37 0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.03 2baj h ASP 176 Cb 1.21 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.90 2baj h ASP 176 CO 0.64 -0.26 0.11 0.47 -3.12 0.00 0.00 179.24 177.07 2baj n ASP 177 N -5.33 3.12 -4.63 6.45 9.92 -1.26 -4.57 116.55 120.25 2baj n ASP 177 Ca -0.05 -2.50 -0.39 0.00 -0.53 0.00 0.00 54.79 51.32 2baj n ASP 177 Cb 0.24 -0.60 0.03 0.00 -0.64 0.00 0.00 41.12 40.15 2baj n ASP 177 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2baj n GLU 178 N 0.09 1.21 -3.93 -1.24 2.13 -1.11 -4.95 120.64 112.83 2baj n GLU 178 Ca 0.17 0.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.33 2baj n GLU 178 Cb 0.78 -2.18 -0.12 0.00 0.27 0.00 0.00 31.44 30.19 2baj n GLU 178 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2baj s MET 179 N -2.46 0.18 -0.27 5.31 -1.94 -1.26 -3.10 119.30 115.77 2baj s MET 179 Ca 0.70 -0.34 -0.02 0.00 -1.71 0.00 0.00 55.69 54.31 2baj s MET 179 Cb -0.47 0.05 0.09 0.00 2.01 0.00 0.00 34.83 36.51 2baj s MET 179 CO 0.52 -0.03 0.08 0.99 -0.01 0.00 0.00 175.02 176.57 2baj s THR 180 N -0.82 0.55 0.00 2.05 2.01 -0.98 -5.01 115.64 113.44 2baj s THR 180 Ca -0.09 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.94 2baj s THR 180 Cb -0.06 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.16 2baj s THR 180 CO -0.01 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.01 2baj n GLY 181 N 5.01 2.38 2.85 4.40 0.00 -1.26 -3.22 105.19 115.34 2baj n GLY 181 Ca -0.05 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 2baj n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2baj n TYR 182 N 13.40 3.02 -3.76 1.61 -0.00 -1.26 -4.93 117.16 125.24 2baj n TYR 182 Ca 0.00 -2.45 -0.14 0.00 -0.00 0.00 0.00 57.90 55.31 2baj n TYR 182 Cb 0.00 -1.06 -0.15 0.00 -0.00 0.00 0.00 39.34 38.12 2baj n TYR 182 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2baj s VAL 183 N -5.05 -0.05 0.29 2.97 1.01 -1.20 -5.15 120.40 113.21 2baj s VAL 183 Ca 0.50 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 2baj s VAL 183 Cb 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.53 2baj s VAL 183 CO -0.36 0.08 0.73 0.00 0.00 0.00 0.00 175.10 175.54 2baj s ALA 184 N 1.14 3.36 0.14 5.51 0.00 -1.26 -2.32 121.76 128.33 2baj s ALA 184 Ca -0.09 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2baj s ALA 184 Cb -0.12 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 2baj s ALA 184 CO -0.05 0.34 1.33 0.00 0.00 0.00 0.00 175.76 177.38 2baj h THR 185 N 2.23 1.62 0.00 0.00 1.03 -1.86 -3.22 112.91 112.71 2baj h THR 185 Ca -0.48 -3.07 -0.00 0.00 -0.01 0.00 0.00 66.41 62.85 2baj h THR 185 Cb 1.18 2.69 -0.00 0.00 -1.07 0.00 0.00 68.15 70.96 2baj h THR 185 CO 0.65 0.88 -0.02 0.08 -0.01 0.00 0.00 175.52 177.11 2baj h ARG 186 N 0.03 0.00 0.00 0.00 0.11 -1.84 -2.31 114.38 110.37 2baj h ARG 186 Ca -0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2baj h ARG 186 Cb 1.65 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.73 2baj h ARG 186 CO 0.13 0.02 -0.03 -1.49 0.10 0.00 0.00 179.97 178.69 2baj h TRP 187 N 0.00 0.00 -0.01 4.08 6.55 -1.78 -2.76 115.95 122.03 2baj h TRP 187 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2baj h TRP 187 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 2baj h TRP 187 CO 0.00 0.03 -0.05 0.66 -1.05 0.00 0.00 178.44 178.04 2baj n TYR 188 N -3.35 0.00 -2.25 0.49 4.02 -0.87 -4.57 117.16 110.62 2baj n TYR 188 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 2baj n TYR 188 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 2baj n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2baj s ARG 189 N -1.01 4.42 0.23 -0.72 0.52 -1.04 -4.02 118.95 117.32 2baj s ARG 189 Ca 0.12 2.02 -0.30 0.00 -0.52 0.00 0.00 55.73 57.05 2baj s ARG 189 Cb 0.09 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 2baj s ARG 189 CO 0.16 -0.19 1.40 0.00 0.02 0.00 0.00 175.30 176.69 2baj s ALA 190 N -0.07 3.59 0.23 2.13 0.00 -1.26 -4.90 121.76 121.49 2baj s ALA 190 Ca 0.55 1.25 0.32 0.00 0.00 0.00 0.00 51.96 54.08 2baj s ALA 190 Cb -0.36 -3.53 1.40 0.00 0.00 0.00 0.00 23.12 20.63 2baj s ALA 190 CO 0.39 -0.67 2.01 -1.00 0.00 0.00 0.00 175.76 176.49 2baj h PRO 191 N 5.19 0.00 -0.75 0.00 0.13 -1.94 -1.95 132.00 132.68 2baj h PRO 191 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2baj h PRO 191 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2baj h PRO 191 CO 0.78 0.07 0.42 1.05 -0.23 0.00 0.00 178.00 180.09 2baj h GLU 192 N 0.00 1.03 0.48 0.86 9.09 -1.90 -2.06 114.58 122.08 2baj h GLU 192 Ca -0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 59.36 59.28 2baj h GLU 192 Cb 0.48 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2baj h GLU 192 CO 0.01 0.75 -0.23 0.82 0.05 0.00 0.00 179.01 180.41 2baj h ILE 193 N 1.04 0.00 -1.65 -1.06 2.04 -1.71 -1.03 117.51 115.14 2baj h ILE 193 Ca 0.27 -0.32 0.49 0.00 1.00 0.00 0.00 64.86 66.30 2baj h ILE 193 Cb 0.01 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 2baj h ILE 193 CO -0.04 0.00 1.16 -0.03 0.00 0.00 0.00 178.15 179.24 2baj h MET 194 N -0.97 0.02 0.00 2.37 4.05 -1.42 -3.23 114.93 115.76 2baj h MET 194 Ca -0.07 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 2baj h MET 194 Cb 0.50 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 2baj h MET 194 CO 0.11 0.02 -1.14 1.28 0.23 0.00 0.00 176.91 177.40 2baj n LEU 195 N -4.19 1.11 0.00 3.39 4.77 -0.78 -5.10 117.00 116.20 2baj n LEU 195 Ca 0.39 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2baj n LEU 195 Cb 1.71 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 2baj n LEU 195 CO 0.37 -0.09 0.00 0.59 -1.33 0.00 0.00 177.39 176.93 2baj n ASN 196 N -3.70 0.00 -0.45 -1.43 3.02 -0.39 -5.09 115.26 107.22 2baj n ASN 196 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2baj n ASN 196 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2baj n ASN 196 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2baj n ASN 201 N 0.00 0.00 0.24 6.41 2.04 -1.26 -4.88 115.26 117.81 2baj n ASN 201 Ca 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.27 2baj n ASN 201 Cb 0.00 0.00 0.37 0.00 -2.53 0.00 0.00 39.78 37.62 2baj n ASN 201 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 2baj h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.99 -3.18 115.11 110.30 2baj h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2baj h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2baj h GLN 202 CO 0.00 0.04 0.00 0.25 -0.67 0.00 0.00 178.83 178.45 2baj n THR 203 N -3.12 1.11 -0.17 -0.54 -2.24 -1.26 -2.11 114.28 105.95 2baj n THR 203 Ca 0.02 0.31 0.29 0.00 -2.27 0.00 0.00 64.05 62.40 2baj n THR 203 Cb 0.45 -1.14 0.72 0.00 -2.10 0.00 0.00 70.33 68.26 2baj n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2baj h VAL 204 N 0.00 0.44 -0.17 2.28 -1.51 -1.94 0.38 116.25 115.73 2baj h VAL 204 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 2baj h VAL 204 Cb 0.23 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 2baj h VAL 204 CO 0.00 0.00 -0.59 0.44 -1.23 0.00 0.00 177.57 176.19 2baj h ASP 205 N 0.00 0.61 -0.35 4.19 3.32 -1.72 -3.08 116.42 119.39 2baj h ASP 205 Ca 0.43 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2baj h ASP 205 Cb 1.83 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 2baj h ASP 205 CO -0.00 1.06 0.06 0.40 -1.72 0.00 0.00 179.24 179.04 2baj h ILE 206 N 0.41 1.23 -0.64 0.35 1.08 -0.45 -0.49 117.51 119.00 2baj h ILE 206 Ca -0.00 -0.82 0.12 0.00 -0.39 0.00 0.00 64.86 63.77 2baj h ILE 206 Cb 1.14 1.09 -0.12 0.00 -3.07 0.00 0.00 36.82 35.86 2baj h ILE 206 CO 0.11 0.27 -0.28 -0.25 -0.69 0.00 0.00 178.15 177.32 2baj h TRP 207 N 0.42 -0.73 -0.64 1.37 2.91 -1.37 -0.15 115.95 117.76 2baj h TRP 207 Ca 0.11 0.07 0.02 0.00 1.13 0.00 0.00 58.89 60.21 2baj h TRP 207 Cb 0.34 0.42 -0.04 0.00 -0.51 0.00 0.00 29.16 29.37 2baj h TRP 207 CO 0.02 -0.35 0.41 0.77 -1.03 0.00 0.00 178.44 178.26 2baj h SER 208 N -0.10 0.69 -0.46 2.65 0.02 -1.37 -2.10 113.55 112.89 2baj h SER 208 Ca 0.27 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2baj h SER 208 Cb 0.54 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 2baj h SER 208 CO -0.70 0.49 0.17 0.58 -1.14 0.00 0.00 176.83 176.23 2baj h VAL 209 N 0.83 0.86 -0.85 2.27 2.07 -0.27 -1.65 116.25 119.50 2baj h VAL 209 Ca 0.25 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2baj h VAL 209 Cb -0.04 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2baj h VAL 209 CO -0.08 0.06 0.43 1.23 0.02 0.00 0.00 177.57 179.23 2baj h GLY 210 N 0.35 1.30 1.75 2.17 0.00 -0.41 -0.42 103.07 107.81 2baj h GLY 210 Ca 0.22 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2baj h GLY 210 CO -0.21 0.60 -0.03 0.00 0.00 0.00 0.00 176.54 176.90 2baj h ILE 212 N 0.31 1.34 -0.53 0.00 2.04 -0.27 -2.93 117.51 117.48 2baj h ILE 212 Ca 0.07 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 2baj h ILE 212 Cb 0.27 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 2baj h ILE 212 CO 0.01 0.41 0.22 -0.03 0.00 0.00 0.00 178.15 178.76 2baj h MET 213 N 0.07 0.76 0.11 2.37 4.05 -1.02 -1.27 114.93 120.00 2baj h MET 213 Ca 0.02 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2baj h MET 213 Cb 0.75 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2baj h MET 213 CO 0.05 0.62 -0.05 0.00 0.23 0.00 0.00 176.91 177.75 2baj h ALA 214 N 1.49 -0.15 -0.98 0.39 0.00 -1.38 -2.23 119.26 116.39 2baj h ALA 214 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2baj h ALA 214 Cb 0.14 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2baj h ALA 214 CO -0.02 -0.57 0.63 1.49 0.00 0.00 0.00 179.25 180.78 2baj h GLU 215 N -0.18 1.07 -0.30 0.00 4.81 -1.25 -1.85 114.58 116.89 2baj h GLU 215 Ca -0.02 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 2baj h GLU 215 Cb 0.14 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2baj h GLU 215 CO 0.03 0.71 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.85 2baj h LEU 216 N 1.10 0.47 -0.13 1.64 3.38 -1.04 -0.17 115.31 120.56 2baj h LEU 216 Ca 0.43 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 58.07 2baj h LEU 216 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2baj h LEU 216 CO -0.18 0.61 -0.99 -0.07 0.09 0.00 0.00 178.44 177.89 2baj h LEU 217 N 0.46 0.31 0.00 1.67 3.38 -0.75 -3.39 115.31 116.99 2baj h LEU 217 Ca 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2baj h LEU 217 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2baj h LEU 217 CO 0.02 1.12 -1.21 0.35 0.09 0.00 0.00 178.44 178.82 2baj n THR 218 N -3.60 0.00 -0.37 0.22 -2.24 -0.79 -5.00 114.28 102.50 2baj n THR 218 Ca -0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2baj n THR 218 Cb 0.88 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2baj n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2baj n GLY 219 N 1.84 1.13 3.18 3.38 0.00 -0.08 -5.02 105.19 109.61 2baj n GLY 219 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2baj n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2baj s ARG 220 N -0.42 0.87 0.21 1.61 1.70 -1.24 -5.02 118.95 116.65 2baj s ARG 220 Ca 0.00 -1.26 -0.31 0.00 -0.47 0.00 0.00 55.73 53.69 2baj s ARG 220 Cb 0.00 -0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 33.86 2baj s ARG 220 CO 0.00 0.04 1.59 0.99 -1.08 0.00 0.00 175.30 176.84 2baj s THR 221 N -3.02 2.39 0.03 4.99 2.01 -1.26 -3.91 115.64 116.87 2baj s THR 221 Ca 0.09 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 2baj s THR 221 Cb 0.01 -3.19 -0.16 0.00 0.01 0.00 0.00 72.50 69.17 2baj s THR 221 CO -0.02 0.03 1.41 0.25 -0.69 0.00 0.00 174.62 175.61 2baj h LEU 222 N 6.12 0.12 -6.43 4.42 5.85 -1.92 -3.40 115.31 120.07 2baj h LEU 222 Ca -0.44 -0.36 -0.59 0.00 0.84 0.00 0.00 57.88 57.33 2baj h LEU 222 Cb 1.21 -0.03 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 2baj h LEU 222 CO 0.88 0.45 -0.81 0.49 -0.34 0.00 0.00 178.44 179.11 2baj n PHE 223 N -4.83 1.42 -1.33 1.25 3.72 -1.26 -5.01 117.46 111.42 2baj n PHE 223 Ca -0.07 -3.84 -0.34 0.00 -0.05 0.00 0.00 57.45 53.15 2baj n PHE 223 Cb 0.22 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.39 2baj n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2baj n PRO 224 N 1.80 3.47 -1.83 -1.08 -0.04 -1.26 -4.48 135.00 131.58 2baj n PRO 224 Ca 0.25 -2.12 -0.41 0.00 -0.04 0.00 0.00 63.50 61.19 2baj n PRO 224 Cb 0.44 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2baj n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2baj s GLY 225 N 1.93 2.94 0.32 0.55 0.00 -1.26 -4.91 107.32 106.89 2baj s GLY 225 Ca 0.68 1.52 0.05 0.00 0.00 0.00 0.00 44.72 46.97 2baj s GLY 225 CO -0.06 2.19 1.81 -0.91 0.00 0.00 0.00 173.10 176.12 2baj h THR 226 N 2.81 1.23 -2.41 0.90 1.35 -1.94 -3.46 112.91 111.38 2baj h THR 226 Ca -0.51 -1.05 0.17 0.00 -0.55 0.00 0.00 66.41 64.48 2baj h THR 226 Cb 1.24 1.23 -0.06 0.00 -1.73 0.00 0.00 68.15 68.84 2baj h THR 226 CO 0.63 0.33 0.54 1.51 -0.25 0.00 0.00 175.52 178.29 2baj s ASP 227 N -6.81 -0.08 0.35 5.36 1.47 -1.26 -5.06 116.67 110.64 2baj s ASP 227 Ca -0.07 -0.54 0.03 0.00 1.18 0.00 0.00 52.55 53.15 2baj s ASP 227 Cb 0.15 0.49 0.64 0.00 -0.34 0.00 0.00 42.92 43.86 2baj s ASP 227 CO 0.77 -0.95 1.99 1.12 0.68 0.00 0.00 175.17 178.79 2baj h HIS 228 N 2.00 0.74 -0.01 2.11 2.07 -1.99 0.56 115.15 120.63 2baj h HIS 228 Ca -0.26 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.05 2baj h HIS 228 Cb 1.22 -0.25 -0.00 0.00 2.57 0.00 0.00 27.41 30.96 2baj h HIS 228 CO 0.85 0.50 -0.90 0.82 -3.07 0.00 0.00 177.93 176.13 2baj h ILE 229 N 0.79 1.42 -0.45 6.12 2.04 -2.00 -2.63 117.51 122.80 2baj h ILE 229 Ca 0.21 -2.44 -0.10 0.00 1.00 0.00 0.00 64.86 63.53 2baj h ILE 229 Cb -0.03 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2baj h ILE 229 CO -0.04 0.72 -0.11 -0.78 0.00 0.00 0.00 178.15 177.94 2baj h ASP 230 N 0.21 0.87 -0.00 1.72 3.58 -1.74 -2.42 116.42 118.64 2baj h ASP 230 Ca -0.06 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 2baj h ASP 230 Cb 1.52 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.33 2baj h ASP 230 CO 0.15 1.03 0.00 -0.61 -2.88 0.00 0.00 179.24 176.94 2baj h GLN 231 N 0.70 0.01 -0.12 0.28 5.75 -0.88 -1.34 115.11 119.51 2baj h GLN 231 Ca 0.11 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2baj h GLN 231 Cb 0.66 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2baj h GLN 231 CO 0.05 0.09 0.06 1.25 -2.65 0.00 0.00 178.83 177.63 2baj h LEU 232 N -0.08 0.16 -1.12 -2.39 6.46 -1.50 -0.30 115.31 116.54 2baj h LEU 232 Ca 0.00 -0.11 0.18 0.00 -0.12 0.00 0.00 57.88 57.84 2baj h LEU 232 Cb 0.09 -0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 39.88 2baj h LEU 232 CO -0.00 0.22 0.61 0.50 -0.62 0.00 0.00 178.44 179.15 2baj h LYS 233 N 0.08 0.70 -0.28 1.25 3.64 -1.32 0.37 116.57 121.02 2baj h LYS 233 Ca 0.04 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2baj h LYS 233 Cb 0.10 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2baj h LYS 233 CO -0.01 0.46 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.07 2baj h LEU 234 N 0.72 0.86 0.28 5.20 3.38 -0.66 0.45 115.31 125.55 2baj h LEU 234 Ca 0.54 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2baj h LEU 234 Cb 0.90 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2baj h LEU 234 CO -0.32 1.20 -0.14 0.40 0.09 0.00 0.00 178.44 179.68 2baj h ILE 235 N 0.62 0.76 -0.21 1.22 2.04 0.55 -2.93 117.51 119.55 2baj h ILE 235 Ca 0.03 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 2baj h ILE 235 Cb 1.07 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2baj h ILE 235 CO 0.11 0.08 -0.03 -0.07 0.00 0.00 0.00 178.15 178.23 2baj h LEU 236 N -0.57 0.30 -1.01 1.44 3.38 -0.35 -0.88 115.31 117.62 2baj h LEU 236 Ca -0.04 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2baj h LEU 236 Cb 0.42 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2baj h LEU 236 CO 0.06 0.38 0.64 -0.09 0.09 0.00 0.00 178.44 179.53 2baj h ARG 237 N 0.31 1.09 0.04 1.13 2.43 -0.85 0.62 114.38 119.16 2baj h ARG 237 Ca 0.07 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2baj h ARG 237 Cb 0.27 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2baj h ARG 237 CO 0.01 0.72 -0.41 1.25 -1.51 0.00 0.00 179.97 180.02 2baj h LEU 238 N 1.12 0.29 0.00 3.80 5.85 -1.01 -3.39 115.31 121.96 2baj h LEU 238 Ca 0.45 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2baj h LEU 238 Cb 0.27 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2baj h LEU 238 CO -0.20 1.14 -0.48 1.33 -0.34 0.00 0.00 178.44 179.89 2baj n VAL 239 N -4.37 0.00 0.00 1.05 0.24 -0.63 -1.64 118.33 112.98 2baj n VAL 239 Ca -0.11 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2baj n VAL 239 Cb 0.62 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 2baj n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2baj n GLY 240 N 1.24 0.76 3.76 7.63 0.00 0.20 -4.13 105.19 114.65 2baj n GLY 240 Ca 0.02 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 2baj n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2baj s THR 241 N -2.65 2.97 0.55 2.61 -4.23 -1.10 -4.64 115.64 109.15 2baj s THR 241 Ca 0.00 0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 60.78 2baj s THR 241 Cb 0.00 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2baj s THR 241 CO 0.00 -0.25 1.28 -2.16 -0.54 0.00 0.00 174.62 172.95 2baj s PRO 242 N -3.94 3.16 0.81 3.99 0.04 -1.26 -4.95 135.00 132.85 2baj s PRO 242 Ca 0.70 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.71 2baj s PRO 242 Cb -0.23 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 32.31 2baj s PRO 242 CO 0.41 -1.12 1.10 0.41 0.04 0.00 0.00 177.00 177.84 2baj n GLY 243 N 0.65 -0.30 0.17 0.56 0.00 -1.26 -4.95 105.19 100.05 2baj n GLY 243 Ca 0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 2baj n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baj h ALA 244 N -1.14 0.38 0.35 4.61 0.00 -2.00 -2.98 119.26 118.48 2baj h ALA 244 Ca -0.36 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2baj h ALA 244 Cb 1.16 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2baj h ALA 244 CO 0.32 -0.39 -0.17 0.93 0.00 0.00 0.00 179.25 179.94 2baj h GLU 245 N 0.12 -0.45 -0.98 0.00 5.08 -2.01 -2.74 114.58 113.60 2baj h GLU 245 Ca 0.20 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 2baj h GLU 245 Cb 0.28 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2baj h GLU 245 CO -0.32 -0.23 0.62 1.25 -1.00 0.00 0.00 179.01 179.33 2baj h LEU 246 N -0.59 0.88 -1.13 1.33 5.85 -1.96 -2.40 115.31 117.28 2baj h LEU 246 Ca -0.05 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2baj h LEU 246 Cb 0.43 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2baj h LEU 246 CO 0.08 0.46 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.55 2baj h LEU 247 N 0.94 0.54 -0.59 2.25 3.38 -1.33 -2.68 115.31 117.82 2baj h LEU 247 Ca 0.49 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 2baj h LEU 247 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2baj h LEU 247 CO -0.25 0.63 -0.19 0.11 0.09 0.00 0.00 178.44 178.83 2baj h LYS 248 N 0.54 0.92 0.00 1.13 1.57 -1.16 -3.03 116.57 116.54 2baj h LYS 248 Ca 0.11 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2baj h LYS 248 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2baj h LYS 248 CO 0.02 1.03 0.00 1.63 -0.57 0.00 0.00 179.45 181.55 2baj n LYS 249 N -4.12 0.15 -2.54 3.15 5.02 -1.03 -4.66 118.16 114.13 2baj n LYS 249 Ca 0.00 0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 56.15 2baj n LYS 249 Cb 0.43 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2baj n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2baj s ILE 250 N -3.16 4.15 0.10 -0.18 1.01 -1.11 -4.92 121.20 117.09 2baj s ILE 250 Ca 0.08 1.17 0.09 0.00 0.00 0.00 0.00 60.65 61.99 2baj s ILE 250 Cb 0.11 -4.51 -0.13 0.00 0.01 0.00 0.00 42.46 37.95 2baj s ILE 250 CO 0.44 -0.94 1.37 0.77 0.00 0.00 0.00 174.94 176.59 2baj h SER 251 N 9.52 0.00 -3.38 3.58 4.64 -1.89 -3.43 113.55 122.59 2baj h SER 251 Ca -0.24 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.52 2baj h SER 251 Cb 1.07 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.08 2baj h SER 251 CO 1.12 0.84 0.91 -0.55 -0.87 0.00 0.00 176.83 178.27 2baj s SER 252 N -6.68 6.50 0.32 4.97 0.15 -1.26 -4.94 113.70 112.76 2baj s SER 252 Ca 0.01 0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.93 2baj s SER 252 Cb 0.10 -2.54 0.96 0.00 -1.71 0.00 0.00 66.02 62.83 2baj s SER 252 CO 0.79 -1.37 1.52 1.21 1.20 0.00 0.00 173.24 176.59 2baj n GLU 253 N 8.11 -0.07 -0.84 5.44 2.13 -1.26 -2.84 120.64 131.30 2baj n GLU 253 Ca 0.09 1.40 -0.09 0.00 0.66 0.00 0.00 57.16 59.22 2baj n GLU 253 Cb 0.49 -2.34 -0.13 0.00 0.27 0.00 0.00 31.44 29.73 2baj n GLU 253 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2baj n SER 254 N -5.34 4.74 0.00 4.31 3.41 -1.26 -0.75 113.62 118.73 2baj n SER 254 Ca 0.28 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 2baj n SER 254 Cb 0.94 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2baj n SER 254 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2baj n ARG 256 N 2.42 0.00 -0.18 4.33 0.00 -1.13 -2.40 116.66 119.70 2baj n ARG 256 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.18 2baj n ARG 256 Cb 0.78 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.33 2baj n ARG 256 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2baj h ASN 257 N 0.00 0.03 0.06 6.15 4.21 -1.21 -0.92 115.58 123.90 2baj h ASN 257 Ca 0.00 0.10 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 2baj h ASN 257 Cb 0.00 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2baj h ASN 257 CO 0.00 0.04 -0.03 0.22 -1.29 0.00 0.00 177.43 176.37 2baj h TYR 258 N 0.27 -0.07 0.00 1.19 3.20 -1.73 -1.59 116.97 118.23 2baj h TYR 258 Ca 0.28 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 2baj h TYR 258 Cb 0.39 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2baj h TYR 258 CO -0.23 0.40 -0.39 0.97 -1.64 0.00 0.00 178.16 177.27 2baj h ILE 259 N -0.58 1.00 -0.07 1.81 2.10 -1.82 -2.84 117.51 117.11 2baj h ILE 259 Ca -0.01 -1.49 -0.10 0.00 1.08 0.00 0.00 64.86 64.33 2baj h ILE 259 Cb 0.51 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 2baj h ILE 259 CO 0.01 0.38 -0.43 -0.61 -1.08 0.00 0.00 178.15 176.42 2baj h GLN 260 N 0.00 0.15 0.00 2.19 4.15 -1.09 -2.98 115.11 117.53 2baj h GLN 260 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2baj h GLN 260 Cb 0.85 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2baj h GLN 260 CO 0.05 0.56 0.00 -1.13 -1.93 0.00 0.00 178.83 176.38 2baj n SER 261 N -4.01 0.74 -4.71 -0.69 3.41 -0.61 -4.79 113.62 102.96 2baj n SER 261 Ca -0.02 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 2baj n SER 261 Cb 0.48 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 2baj n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2baj s LEU 262 N -4.42 4.36 0.08 1.04 1.43 -1.13 -4.95 118.68 115.09 2baj s LEU 262 Ca 0.10 2.18 -0.37 0.00 -1.03 0.00 0.00 54.13 55.01 2baj s LEU 262 Cb 0.12 -3.58 -0.17 0.00 0.03 0.00 0.00 46.19 42.59 2baj s LEU 262 CO 0.55 -0.61 1.29 0.41 0.23 0.00 0.00 176.35 178.23 2baj n THR 263 N 4.11 0.06 -1.89 5.49 -1.04 -1.26 -4.85 114.28 114.91 2baj n THR 263 Ca 0.11 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 2baj n THR 263 Cb 0.44 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 68.20 2baj n THR 263 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2baj s GLN 264 N 0.37 4.19 0.12 -2.82 -0.21 -1.26 -4.90 119.66 115.14 2baj s GLN 264 Ca 0.84 2.40 0.07 0.00 0.02 0.00 0.00 55.36 58.69 2baj s GLN 264 Cb -0.98 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 29.55 2baj s GLN 264 CO 0.48 -0.71 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.20 2baj s MET 265 N 2.12 2.09 0.05 2.91 -1.94 -1.26 -4.99 119.30 118.28 2baj s MET 265 Ca 0.74 -1.07 -0.20 0.00 -1.71 0.00 0.00 55.69 53.45 2baj s MET 265 Cb -0.42 -2.27 -0.06 0.00 2.01 0.00 0.00 34.83 34.08 2baj s MET 265 CO 0.33 0.49 0.59 -1.25 -0.01 0.00 0.00 175.02 175.17 2baj s PRO 266 N -2.30 4.26 0.31 2.03 0.04 -1.26 -2.72 135.00 135.36 2baj s PRO 266 Ca 0.22 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 2baj s PRO 266 Cb -0.11 -3.28 -0.14 0.00 0.04 0.00 0.00 34.50 31.01 2baj s PRO 266 CO 0.14 0.53 0.79 1.17 0.04 0.00 0.00 177.00 179.67 2baj n LYS 267 N 2.10 0.87 -1.84 4.56 4.81 -1.26 -4.49 118.16 122.92 2baj n LYS 267 Ca -0.09 0.31 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 2baj n LYS 267 Cb 0.51 -1.59 0.02 0.00 0.02 0.00 0.00 35.03 33.98 2baj n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2baj s MET 268 N -1.47 3.43 -0.35 1.64 -1.94 -0.65 -4.94 119.30 115.02 2baj s MET 268 Ca 0.61 0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 55.15 2baj s MET 268 Cb -0.72 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 2baj s MET 268 CO 0.59 -0.70 1.84 1.21 -0.01 0.00 0.00 175.02 177.94 2baj s ASN 269 N -3.91 5.77 0.51 3.03 3.04 -1.26 -4.86 114.94 117.26 2baj s ASN 269 Ca 0.57 1.24 0.17 0.00 0.04 0.00 0.00 52.86 54.87 2baj s ASN 269 Cb -0.12 -2.52 1.26 0.00 -1.54 0.00 0.00 41.25 38.33 2baj s ASN 269 CO 0.52 -1.81 2.13 -0.26 -3.04 0.00 0.00 177.10 174.63 2baj h PHE 270 N 13.35 0.03 -0.89 0.43 -1.00 -1.93 -2.74 116.94 124.19 2baj h PHE 270 Ca -0.33 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.58 2baj h PHE 270 Cb 1.17 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.65 2baj h PHE 270 CO 0.96 0.02 0.57 0.00 -1.61 0.00 0.00 178.31 178.26 2baj h ALA 271 N 1.95 1.76 -0.00 2.45 0.00 -1.89 -0.34 119.26 123.18 2baj h ALA 271 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2baj h ALA 271 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2baj h ALA 271 CO -0.00 0.02 -0.41 0.09 0.00 0.00 0.00 179.25 178.95 2baj n ASN 272 N -4.56 0.75 0.10 0.00 3.02 -1.04 -3.31 115.26 110.21 2baj n ASN 272 Ca 0.17 -0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 53.94 2baj n ASN 272 Cb 0.42 0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.65 2baj n ASN 272 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2baj h VAL 273 N 0.53 1.31 -2.63 2.41 2.07 -1.30 -3.39 116.25 115.26 2baj h VAL 273 Ca 0.00 -2.60 -0.75 0.00 0.82 0.00 0.00 66.70 64.17 2baj h VAL 273 Cb 0.50 3.06 -0.32 0.00 -1.52 0.00 0.00 31.29 33.01 2baj h VAL 273 CO 0.00 0.77 0.39 0.49 0.02 0.00 0.00 177.57 179.24 2baj n PHE 274 N -3.87 2.73 -1.87 1.57 3.72 -0.22 -5.01 117.46 114.50 2baj n PHE 274 Ca -0.17 -3.04 -0.42 0.00 -0.05 0.00 0.00 57.45 53.77 2baj n PHE 274 Cb 0.99 -1.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 2baj n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2baj s ILE 275 N -2.96 2.83 0.00 4.37 1.01 -1.21 -1.95 121.20 123.30 2baj s ILE 275 Ca 0.35 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2baj s ILE 275 Cb 0.10 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2baj s ILE 275 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2baj n GLY 276 N 4.02 1.71 3.76 6.18 0.00 -1.26 -5.02 105.19 114.57 2baj n GLY 276 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2baj n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baj s ALA 277 N -2.76 2.48 -0.38 4.61 0.00 -0.82 -4.91 121.76 119.98 2baj s ALA 277 Ca 0.00 0.85 -0.45 0.00 0.00 0.00 0.00 51.96 52.36 2baj s ALA 277 Cb 0.00 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 2baj s ALA 277 CO 0.00 -1.24 1.47 -1.71 0.00 0.00 0.00 175.76 174.28 2baj n ASN 278 N -1.92 0.91 -0.22 0.00 2.85 -1.26 -4.86 115.26 110.75 2baj n ASN 278 Ca 0.12 1.18 0.03 0.00 -0.11 0.00 0.00 54.58 55.81 2baj n ASN 278 Cb 0.50 -0.89 0.14 0.00 1.24 0.00 0.00 39.78 40.78 2baj n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2baj h PRO 279 N 4.51 0.22 -0.87 1.20 0.11 -1.98 -1.10 132.00 134.08 2baj h PRO 279 Ca -0.46 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.82 2baj h PRO 279 Cb 1.38 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.34 2baj h PRO 279 CO 0.90 0.15 0.42 -0.07 -0.21 0.00 0.00 178.00 179.18 2baj h LEU 280 N 0.23 0.43 -0.42 2.35 4.07 -1.99 -0.78 115.31 119.20 2baj h LEU 280 Ca 0.37 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.43 2baj h LEU 280 Cb 0.60 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 2baj h LEU 280 CO -0.49 0.11 0.21 0.00 -1.08 0.00 0.00 178.44 177.19 2baj h ALA 281 N 1.63 0.55 -0.73 1.53 0.00 -1.57 -1.19 119.26 119.48 2baj h ALA 281 Ca 0.51 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 2baj h ALA 281 Cb 0.86 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2baj h ALA 281 CO -0.45 0.11 0.20 0.28 0.00 0.00 0.00 179.25 179.39 2baj h VAL 282 N 0.55 1.26 -0.71 0.00 2.07 -1.01 -1.38 116.25 117.02 2baj h VAL 282 Ca 0.15 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 2baj h VAL 282 Cb 0.11 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2baj h VAL 282 CO -0.02 0.37 0.20 -0.78 0.02 0.00 0.00 177.57 177.36 2baj h ASP 283 N 1.09 1.06 -0.18 0.57 3.58 -1.01 -2.36 116.42 119.18 2baj h ASP 283 Ca 0.23 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2baj h ASP 283 Cb 0.35 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2baj h ASP 283 CO -0.00 1.01 -0.15 0.25 -2.88 0.00 0.00 179.24 177.46 2baj h LEU 284 N 1.07 0.57 -0.54 2.28 5.85 -0.70 -2.75 115.31 121.09 2baj h LEU 284 Ca 0.23 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2baj h LEU 284 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2baj h LEU 284 CO -0.00 0.75 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.71 2baj h LEU 285 N 0.53 0.99 -0.57 2.25 3.38 -1.01 -1.11 115.31 119.77 2baj h LEU 285 Ca 0.09 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2baj h LEU 285 Cb 0.57 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2baj h LEU 285 CO 0.04 1.09 0.36 -0.33 0.09 0.00 0.00 178.44 179.69 2baj h GLU 286 N 0.87 0.70 0.00 1.13 5.08 -1.36 0.07 114.58 121.07 2baj h GLU 286 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2baj h GLU 286 Cb 0.62 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2baj h GLU 286 CO 0.04 0.46 0.00 0.87 -1.00 0.00 0.00 179.01 179.38 2baj h LYS 287 N 0.72 0.00 0.16 2.33 1.57 -1.18 -3.21 116.57 116.95 2baj h LYS 287 Ca 0.22 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.68 2baj h LYS 287 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2baj h LYS 287 CO -0.08 0.00 -1.65 0.52 -0.57 0.00 0.00 179.45 177.67 2baj h MET 288 N 0.00 0.33 -2.25 3.15 2.86 -0.25 -1.92 114.93 116.85 2baj h MET 288 Ca 0.00 -0.56 -0.78 0.00 -2.06 0.00 0.00 59.70 56.30 2baj h MET 288 Cb 0.48 0.21 -0.24 0.00 0.06 0.00 0.00 31.60 32.10 2baj h MET 288 CO 0.00 1.27 1.23 1.28 1.06 0.00 0.00 176.91 181.75 2baj n LEU 289 N -3.71 7.47 -4.81 1.22 4.77 -0.08 -4.30 117.00 117.56 2baj n LEU 289 Ca -0.26 -5.17 -0.36 0.00 -0.03 0.00 0.00 56.01 50.20 2baj n LEU 289 Cb 1.01 -1.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 2baj n LEU 289 CO 0.47 1.99 -0.19 0.68 -1.33 0.00 0.00 177.39 179.01 2baj s VAL 290 N -3.89 5.36 0.14 4.08 -7.23 -1.26 -4.93 120.40 112.67 2baj s VAL 290 Ca 0.44 0.16 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 2baj s VAL 290 Cb 0.24 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 2baj s VAL 290 CO -0.18 0.56 1.79 -0.07 -0.31 0.00 0.00 175.10 176.89 2baj h LEU 291 N 5.60 0.38 -8.89 1.32 3.38 -1.95 -3.42 115.31 111.73 2baj h LEU 291 Ca -0.49 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 56.89 2baj h LEU 291 Cb 1.20 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2baj h LEU 291 CO 0.64 0.29 0.96 -0.62 0.09 0.00 0.00 178.44 179.80 2baj s ASP 292 N -5.51 6.64 0.24 -0.43 -1.08 -1.26 -4.84 116.67 110.43 2baj s ASP 292 Ca -0.13 1.00 0.24 0.00 -0.52 0.00 0.00 52.55 53.14 2baj s ASP 292 Cb 0.10 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.95 2baj s ASP 292 CO 0.71 -1.14 1.73 -1.54 0.52 0.00 0.00 175.17 175.45 2baj n SER 293 N 7.77 0.68 0.00 -0.34 3.41 -1.26 -2.20 113.62 121.68 2baj n SER 293 Ca 0.14 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 2baj n SER 293 Cb 0.47 -0.79 0.58 0.00 -0.26 0.00 0.00 64.21 64.21 2baj n SER 293 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2baj n ASP 294 N -2.22 0.00 0.00 4.04 8.00 -1.26 -3.69 116.55 121.42 2baj n ASP 294 Ca 0.03 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2baj n ASP 294 Cb 0.28 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2baj n ASP 294 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2baj n LYS 295 N -1.46 6.40 -1.72 -1.24 4.01 -0.93 -5.03 118.16 118.18 2baj n LYS 295 Ca 0.08 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.48 2baj n LYS 295 Cb 0.29 -0.48 0.03 0.00 -0.51 0.00 0.00 35.03 34.36 2baj n LYS 295 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2baj n ARG 296 N -0.95 1.77 -2.38 1.97 0.63 -1.04 -4.96 116.66 111.70 2baj n ARG 296 Ca 0.00 0.64 -0.39 0.00 -0.92 0.00 0.00 57.85 57.18 2baj n ARG 296 Cb 0.00 -2.47 -0.03 0.00 0.45 0.00 0.00 32.46 30.41 2baj n ARG 296 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2baj s ILE 297 N -1.27 3.31 0.56 5.15 2.07 -0.72 -5.04 121.20 125.26 2baj s ILE 297 Ca 0.67 1.22 -0.01 0.00 -1.41 0.00 0.00 60.65 61.12 2baj s ILE 297 Cb -0.45 -3.74 0.03 0.00 0.13 0.00 0.00 42.46 38.43 2baj s ILE 297 CO 0.53 0.22 0.81 0.42 -1.91 0.00 0.00 174.94 175.01 2baj s THR 298 N -1.28 2.91 0.19 4.00 -4.23 -1.26 -4.90 115.64 111.06 2baj s THR 298 Ca 0.50 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 2baj s THR 298 Cb -0.32 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.50 2baj s THR 298 CO 0.41 -0.09 1.80 0.00 -0.54 0.00 0.00 174.62 176.19 2baj h ALA 299 N -0.01 0.73 -0.45 3.99 0.00 -1.92 0.21 119.26 121.81 2baj h ALA 299 Ca -0.43 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2baj h ALA 299 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2baj h ALA 299 CO 0.55 -0.03 -0.16 0.00 0.00 0.00 0.00 179.25 179.61 2baj h ALA 300 N 1.29 0.63 -0.39 0.00 0.00 -1.94 -2.13 119.26 116.72 2baj h ALA 300 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2baj h ALA 300 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2baj h ALA 300 CO -0.16 0.57 0.23 1.96 0.00 0.00 0.00 179.25 181.84 2baj h GLN 301 N 0.74 0.53 0.00 0.00 4.20 -1.91 -3.26 115.11 115.41 2baj h GLN 301 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2baj h GLN 301 Cb 0.72 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2baj h GLN 301 CO 0.06 0.41 -0.34 0.00 -0.67 0.00 0.00 178.83 178.29 2baj h ALA 302 N 1.09 1.43 0.00 3.87 0.00 -0.72 -2.03 119.26 122.89 2baj h ALA 302 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2baj h ALA 302 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2baj h ALA 302 CO -0.02 0.43 -0.08 -0.07 0.00 0.00 0.00 179.25 179.51 2baj h LEU 303 N 0.00 0.00 -0.47 0.00 3.38 -1.43 -2.75 115.31 114.04 2baj h LEU 303 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2baj h LEU 303 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2baj h LEU 303 CO 0.04 0.08 -0.42 0.00 0.09 0.00 0.00 178.44 178.23 2baj n ALA 304 N -2.18 3.42 -1.76 1.53 0.00 -0.78 -4.71 120.51 116.04 2baj n ALA 304 Ca -0.01 -0.46 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2baj n ALA 304 Cb 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.70 2baj n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2baj s HIS 305 N -2.63 2.40 0.01 0.00 5.04 -1.04 -4.89 115.29 114.18 2baj s HIS 305 Ca 0.19 1.30 0.32 0.00 -1.54 0.00 0.00 55.06 55.33 2baj s HIS 305 Cb 0.18 -3.88 1.38 0.00 0.04 0.00 0.00 32.58 30.31 2baj s HIS 305 CO 0.60 -2.92 1.95 0.00 -2.34 0.00 0.00 174.74 172.03 2baj h ALA 306 N 2.04 1.00 -0.91 1.58 0.00 -1.90 -2.28 119.26 118.78 2baj h ALA 306 Ca -0.51 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.58 2baj h ALA 306 Cb 1.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2baj h ALA 306 CO 0.60 0.00 0.59 -0.92 0.00 0.00 0.00 179.25 179.52 2baj h TYR 307 N 0.00 0.71 -0.50 0.00 3.20 -1.90 -0.87 116.97 117.62 2baj h TYR 307 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2baj h TYR 307 Cb 0.41 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2baj h TYR 307 CO 0.00 0.21 0.00 1.19 -1.64 0.00 0.00 178.16 177.92 2baj n PHE 308 N -4.56 1.66 0.02 -3.82 3.72 -0.86 -4.69 117.46 108.92 2baj n PHE 308 Ca 0.19 -0.59 0.20 0.00 -0.05 0.00 0.00 57.45 57.21 2baj n PHE 308 Cb 0.60 -0.40 0.71 0.00 -0.94 0.00 0.00 39.48 39.45 2baj n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2baj h ALA 309 N 3.73 2.40 0.00 4.37 0.00 -1.30 0.28 119.26 128.75 2baj h ALA 309 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2baj h ALA 309 Cb 1.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2baj h ALA 309 CO 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.98 2baj n GLN 310 N -4.22 0.10 -0.03 0.00 10.64 -1.26 -3.88 117.38 118.72 2baj n GLN 310 Ca 0.09 0.09 -0.03 0.00 -1.83 0.00 0.00 57.00 55.31 2baj n GLN 310 Cb 0.60 -1.61 -0.06 0.00 -0.86 0.00 0.00 30.24 28.31 2baj n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2baj n TYR 311 N -1.78 0.00 -1.68 2.61 4.01 0.83 -5.04 117.16 116.11 2baj n TYR 311 Ca 0.06 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.35 2baj n TYR 311 Cb 0.37 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 2baj n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2baj n HIS 312 N -2.25 2.39 -3.40 -0.72 -0.00 -0.18 -4.98 115.22 106.08 2baj n HIS 312 Ca -0.11 0.18 -0.12 0.00 0.46 0.00 0.00 57.72 58.13 2baj n HIS 312 Cb 0.72 -2.59 -0.10 0.00 -0.12 0.00 0.00 29.99 27.91 2baj n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2baj s ASP 313 N 1.28 0.68 0.41 0.26 -1.08 -1.26 -5.01 116.67 111.96 2baj s ASP 313 Ca 0.79 0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.94 2baj s ASP 313 Cb -0.64 0.85 0.92 0.00 -1.46 0.00 0.00 42.92 42.60 2baj s ASP 313 CO 0.38 -0.32 1.97 1.55 0.52 0.00 0.00 175.17 179.27 2baj h PRO 314 N 8.23 0.52 0.00 4.34 0.13 -1.93 -1.17 132.00 142.11 2baj h PRO 314 Ca -0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2baj h PRO 314 Cb 1.15 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2baj h PRO 314 CO 0.28 0.34 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 2baj n ASP 315 N -4.48 0.42 -2.01 1.44 8.00 -1.26 -2.74 116.55 115.92 2baj n ASP 315 Ca 0.10 0.54 -0.24 0.00 0.71 0.00 0.00 54.79 55.90 2baj n ASP 315 Cb 0.32 -0.65 0.12 0.00 -0.02 0.00 0.00 41.12 40.88 2baj n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2baj n ASP 316 N -1.90 5.24 -3.26 -2.24 2.03 -0.45 -4.69 116.55 111.29 2baj n ASP 316 Ca 0.06 -3.75 -0.25 0.00 0.52 0.00 0.00 54.79 51.38 2baj n ASP 316 Cb 0.38 -0.77 -0.08 0.00 -0.72 0.00 0.00 41.12 39.93 2baj n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2baj n GLU 317 N -0.98 0.61 -1.98 -0.67 1.02 -1.11 -4.90 120.64 112.62 2baj n GLU 317 Ca 0.53 -3.25 -0.30 0.00 -0.02 0.00 0.00 57.16 54.12 2baj n GLU 317 Cb 1.02 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 31.09 2baj n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2baj s PRO 318 N -0.86 3.55 0.50 3.49 0.04 -1.26 -4.98 135.00 135.47 2baj s PRO 318 Ca 0.34 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.07 2baj s PRO 318 Cb 0.13 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2baj s PRO 318 CO -0.13 -0.54 0.70 0.14 0.04 0.00 0.00 177.00 177.21 2baj s VAL 319 N -3.12 2.88 0.61 -0.36 -7.23 -1.26 -4.27 120.40 107.65 2baj s VAL 319 Ca 0.54 -0.76 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 2baj s VAL 319 Cb -0.11 -3.04 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 2baj s VAL 319 CO 0.53 -0.02 0.97 0.00 -0.31 0.00 0.00 175.10 176.26 2baj s ALA 320 N -2.61 3.15 0.53 1.32 0.00 -1.26 -5.02 121.76 117.87 2baj s ALA 320 Ca 0.56 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 2baj s ALA 320 Cb -0.10 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 2baj s ALA 320 CO 0.37 -0.80 1.15 -0.51 0.00 0.00 0.00 175.76 175.97 2baj s ASP 321 N -4.26 5.75 0.18 0.00 1.01 -1.26 -4.83 116.67 113.26 2baj s ASP 321 Ca 0.54 2.25 -0.32 0.00 0.71 0.00 0.00 52.55 55.74 2baj s ASP 321 Cb -0.11 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.07 2baj s ASP 321 CO 0.49 -1.20 0.93 -2.65 0.21 0.00 0.00 175.17 172.95 2baj n PRO 322 N -1.13 0.69 -4.06 8.23 -0.02 -1.26 -4.84 135.00 132.60 2baj n PRO 322 Ca 0.11 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2baj n PRO 322 Cb 0.50 -1.57 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 2baj n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2baj s TYR 323 N -0.57 2.98 -0.59 6.00 5.04 -1.26 -5.05 117.35 123.89 2baj s TYR 323 Ca 0.70 -1.78 -0.22 0.00 -2.44 0.00 0.00 57.07 53.33 2baj s TYR 323 Cb -0.91 -1.96 0.06 0.00 0.35 0.00 0.00 41.96 39.50 2baj s TYR 323 CO 0.55 -0.80 0.90 0.34 -1.34 0.00 0.00 175.55 175.20 2baj s ASP 324 N 1.25 6.24 -0.36 4.32 -1.08 -1.26 -4.85 116.67 120.94 2baj s ASP 324 Ca 0.00 -0.76 0.06 0.00 -0.52 0.00 0.00 52.55 51.34 2baj s ASP 324 Cb -0.16 -2.40 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 2baj s ASP 324 CO -0.09 -1.27 1.44 0.00 0.52 0.00 0.00 175.17 175.78 2baj n GLN 325 N 7.34 2.70 0.32 4.34 10.64 -1.26 -4.69 117.38 136.77 2baj n GLN 325 Ca -0.02 -3.62 0.21 0.00 -1.83 0.00 0.00 57.00 51.73 2baj n GLN 325 Cb 0.46 -2.08 1.07 0.00 -0.86 0.00 0.00 30.24 28.83 2baj n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2baj h SER 326 N 1.66 0.00 -0.24 2.61 4.64 -2.04 -1.96 113.55 118.22 2baj h SER 326 Ca 0.34 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.69 2baj h SER 326 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2baj h SER 326 CO 0.74 0.01 0.16 2.19 -0.87 0.00 0.00 176.83 179.06 2baj h PHE 327 N 0.00 0.18 -0.37 4.77 -0.00 -1.98 -3.10 116.94 116.45 2baj h PHE 327 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.97 58.08 2baj h PHE 327 Cb 0.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 35.99 2baj h PHE 327 CO 0.00 0.11 0.34 0.93 -0.00 0.00 0.00 178.31 179.69 2baj h GLU 328 N 0.19 0.00 0.00 6.09 4.39 -1.75 -1.29 114.58 122.22 2baj h GLU 328 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2baj h GLU 328 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2baj h GLU 328 CO -0.02 0.00 -0.61 -1.13 -1.16 0.00 0.00 179.01 176.10 2baj n SER 329 N -3.95 0.57 -4.78 1.42 3.41 -1.17 -4.95 113.62 104.17 2baj n SER 329 Ca 0.06 -0.25 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 2baj n SER 329 Cb 0.51 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 2baj n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2baj s ARG 330 N -3.04 4.55 -0.53 4.33 0.52 -0.49 -5.02 118.95 119.26 2baj s ARG 330 Ca 0.09 1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 56.32 2baj s ARG 330 Cb 0.17 -3.24 0.13 0.00 0.52 0.00 0.00 34.95 32.53 2baj s ARG 330 CO 0.72 0.57 0.45 -0.51 0.02 0.00 0.00 175.30 176.55 2baj s ASP 331 N -1.17 5.97 0.20 0.23 -0.00 -1.26 -5.05 116.67 115.59 2baj s ASP 331 Ca 0.36 -1.96 0.10 0.00 -0.00 0.00 0.00 52.55 51.05 2baj s ASP 331 Cb -0.23 -2.10 -0.04 0.00 -0.00 0.00 0.00 42.92 40.55 2baj s ASP 331 CO 0.26 -0.74 -0.15 -0.76 -0.00 0.00 0.00 175.17 173.78 2baj s LEU 332 N 1.31 2.76 0.76 1.23 1.43 -1.26 -5.12 118.68 119.78 2baj s LEU 332 Ca 0.06 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2baj s LEU 332 Cb -0.26 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.57 2baj s LEU 332 CO -0.00 0.10 1.10 -0.76 0.23 0.00 0.00 176.35 177.02 2baj s LEU 333 N -2.88 3.09 0.22 1.79 1.43 -1.26 -4.90 118.68 116.17 2baj s LEU 333 Ca 0.24 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 55.13 2baj s LEU 333 Cb -0.08 -4.53 0.33 0.00 0.03 0.00 0.00 46.19 41.95 2baj s LEU 333 CO 0.13 -2.00 1.74 0.40 0.23 0.00 0.00 176.35 176.85 2baj h ILE 334 N -0.94 0.73 0.00 -0.59 2.04 -1.96 -2.24 117.51 114.55 2baj h ILE 334 Ca -0.44 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2baj h ILE 334 Cb 1.24 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2baj h ILE 334 CO 0.51 0.08 -0.13 0.44 0.00 0.00 0.00 178.15 179.06 2baj h ASP 335 N 0.42 0.00 0.03 1.72 3.45 -1.94 0.22 116.42 120.32 2baj h ASP 335 Ca 0.34 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.55 2baj h ASP 335 Cb 0.45 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.24 2baj h ASP 335 CO -0.34 0.13 -1.00 -0.33 -1.57 0.00 0.00 179.24 176.13 2baj h GLU 336 N 0.00 0.62 -0.39 3.56 5.08 -1.80 0.00 114.58 121.65 2baj h GLU 336 Ca -0.00 -0.71 0.01 0.00 -1.00 0.00 0.00 59.36 57.66 2baj h GLU 336 Cb 0.63 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2baj h GLU 336 CO 0.02 1.30 0.25 -1.49 -1.00 0.00 0.00 179.01 178.08 2baj h TRP 337 N 0.25 0.47 0.14 4.33 4.06 -0.82 0.57 115.95 124.96 2baj h TRP 337 Ca -0.13 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.84 2baj h TRP 337 Cb 1.67 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.65 2baj h TRP 337 CO 0.12 0.29 -0.22 -0.22 -3.56 0.00 0.00 178.44 174.85 2baj h LYS 338 N 0.51 -0.41 -0.06 0.49 3.64 -0.61 -1.55 116.57 118.57 2baj h LYS 338 Ca 0.15 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2baj h LYS 338 Cb -0.04 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2baj h LYS 338 CO -0.04 -0.28 -0.43 0.66 -2.27 0.00 0.00 179.45 177.10 2baj h SER 339 N -0.43 0.15 -0.51 4.20 4.64 -0.85 0.18 113.55 120.93 2baj h SER 339 Ca 0.02 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 2baj h SER 339 Cb 0.44 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2baj h SER 339 CO -0.10 0.56 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.31 2baj h LEU 340 N 0.12 0.94 -0.23 5.97 3.38 -0.78 -2.93 115.31 121.78 2baj h LEU 340 Ca 0.01 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2baj h LEU 340 Cb 0.81 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2baj h LEU 340 CO 0.06 1.02 -0.41 0.74 0.09 0.00 0.00 178.44 179.94 2baj h THR 341 N 0.87 1.31 -0.49 0.22 2.02 -0.58 -3.11 112.91 113.16 2baj h THR 341 Ca 0.15 -1.62 0.10 0.00 0.77 0.00 0.00 66.41 65.81 2baj h THR 341 Cb 0.57 1.78 -0.10 0.00 -1.74 0.00 0.00 68.15 68.66 2baj h THR 341 CO 0.03 0.51 -0.21 0.22 0.37 0.00 0.00 175.52 176.45 2baj h TYR 342 N 0.39 -0.52 -0.84 3.16 3.20 -0.61 0.34 116.97 122.09 2baj h TYR 342 Ca 0.01 0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.11 2baj h TYR 342 Cb 1.01 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 39.48 2baj h TYR 342 CO 0.08 -0.29 0.37 -0.44 -1.64 0.00 0.00 178.16 176.25 2baj h ASP 343 N -0.10 0.36 0.07 -2.11 3.32 -1.56 -0.72 116.42 115.68 2baj h ASP 343 Ca 0.23 0.13 -0.16 0.00 0.02 0.00 0.00 57.03 57.24 2baj h ASP 343 Cb 0.46 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2baj h ASP 343 CO -0.55 0.09 -0.58 -0.33 -1.72 0.00 0.00 179.24 176.14 2baj h GLU 344 N 0.47 0.53 -0.58 3.56 4.39 -1.07 -1.73 114.58 120.15 2baj h GLU 344 Ca 0.49 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2baj h GLU 344 Cb 0.82 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 2baj h GLU 344 CO -0.45 0.96 0.13 0.28 -1.16 0.00 0.00 179.01 178.77 2baj h VAL 345 N 0.40 1.25 0.00 3.13 2.07 -0.42 -2.83 116.25 119.85 2baj h VAL 345 Ca 0.00 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2baj h VAL 345 Cb 1.13 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2baj h VAL 345 CO 0.11 0.34 -0.36 0.40 0.02 0.00 0.00 177.57 178.07 2baj h ILE 346 N 0.84 0.24 -0.06 4.57 5.03 -1.01 -3.01 117.51 124.11 2baj h ILE 346 Ca 0.18 -1.35 0.00 0.00 -0.12 0.00 0.00 64.86 63.57 2baj h ILE 346 Cb 0.36 2.03 0.00 0.00 -3.03 0.00 0.00 36.82 36.18 2baj h ILE 346 CO 0.00 0.14 0.00 -1.54 -0.68 0.00 0.00 178.15 176.07 2baj n SER 347 N -3.05 2.93 -4.72 1.72 3.41 -0.66 -4.78 113.62 108.47 2baj n SER 347 Ca 0.02 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 2baj n SER 347 Cb 0.60 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2baj n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2baj s PHE 348 N -1.84 3.05 -0.11 7.33 5.36 -1.07 -5.01 117.98 125.69 2baj s PHE 348 Ca 0.27 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 2baj s PHE 348 Cb 0.19 -3.94 -0.01 0.00 -0.34 0.00 0.00 43.02 38.93 2baj s PHE 348 CO 0.28 -3.46 -0.19 0.54 -1.46 0.00 0.00 175.22 170.93 2baj s VAL 349 N 1.12 2.46 0.49 3.12 0.11 -1.26 -5.03 120.40 121.41 2baj s VAL 349 Ca 0.70 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 58.65 2baj s VAL 349 Cb -0.44 -1.99 -0.07 0.00 -1.53 0.00 0.00 36.38 32.36 2baj s VAL 349 CO 0.31 0.54 1.22 -2.84 -3.33 0.00 0.00 175.10 171.01 2baj s PRO 350 N 0.37 3.56 0.51 1.54 0.02 -1.26 -4.95 135.00 134.79 2baj s PRO 350 Ca -0.15 1.90 -0.23 0.00 0.02 0.00 0.00 61.00 62.54 2baj s PRO 350 Cb -0.17 -2.34 -0.06 0.00 0.02 0.00 0.00 34.50 31.94 2baj s PRO 350 CO 0.07 -0.75 1.36 -1.25 -0.33 0.00 0.00 177.00 176.10 2baj s PRO 351 N -2.79 3.38 -0.71 5.54 0.04 -1.26 -4.82 135.00 134.39 2baj s PRO 351 Ca 0.66 2.26 -0.37 0.00 0.04 0.00 0.00 61.00 63.59 2baj s PRO 351 Cb -0.32 -2.41 -0.20 0.00 0.04 0.00 0.00 34.50 31.62 2baj s PRO 351 CO 0.38 -1.01 2.39 -2.30 0.04 0.00 0.00 177.00 176.51 2baj n PRO 352 N -0.69 0.09 0.00 0.56 -0.02 -1.26 -5.13 135.00 128.55 2baj n PRO 352 Ca 0.08 0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.72 2baj n PRO 352 Cb 0.44 -1.61 0.60 0.00 -0.02 0.00 0.00 33.50 32.91 2baj n PRO 352 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37