#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a88 s THR 2 N 0.00 0.56 -0.04 2.61 -4.23 -1.26 -1.38 115.64 111.90 1a88 s THR 2 Ca 0.00 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1a88 s THR 2 Cb 0.00 -0.63 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1a88 s THR 2 CO 0.00 -0.37 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.82 1a88 s VAL 3 N -1.37 1.60 -0.21 2.29 1.01 -0.18 -4.94 120.40 118.60 1a88 s VAL 3 Ca -0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1a88 s VAL 3 Cb -0.10 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1a88 s VAL 3 CO 0.00 0.45 0.23 -0.89 0.00 0.00 0.00 175.10 174.90 1a88 s THR 4 N -0.09 5.32 0.71 3.92 2.01 -1.26 -0.25 115.64 126.00 1a88 s THR 4 Ca -0.02 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 1a88 s THR 4 Cb -0.11 -3.57 0.15 0.00 0.01 0.00 0.00 72.50 68.98 1a88 s THR 4 CO 0.02 0.35 0.96 0.35 -0.69 0.00 0.00 174.62 175.62 1a88 n THR 5 N 4.02 0.00 0.12 -0.82 -2.24 -0.22 -4.91 114.28 110.22 1a88 n THR 5 Ca -0.13 -1.13 0.04 0.00 -2.27 0.00 0.00 64.05 60.56 1a88 n THR 5 Cb 0.52 -1.22 0.45 0.00 -2.10 0.00 0.00 70.33 67.98 1a88 n THR 5 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a88 h SER 6 N -0.91 0.23 -0.26 3.42 4.64 -1.95 -0.88 113.55 117.84 1a88 h SER 6 Ca -0.32 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1a88 h SER 6 Cb 1.02 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1a88 h SER 6 CO 0.28 0.29 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1a88 n ASP 7 N -4.37 1.44 0.00 4.97 5.75 -1.26 -4.90 116.55 118.18 1a88 n ASP 7 Ca -0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1a88 n ASP 7 Cb 0.18 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1a88 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a88 n GLY 8 N 0.95 0.69 3.71 6.12 0.00 -0.33 -5.04 105.19 111.29 1a88 n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1a88 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a88 s THR 9 N -2.75 3.93 -0.10 2.61 2.01 -1.26 -4.75 115.64 115.33 1a88 s THR 9 Ca 0.00 1.40 -0.22 0.00 0.31 0.00 0.00 61.69 63.18 1a88 s THR 9 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1a88 s THR 9 CO 0.00 0.12 0.65 0.20 -0.69 0.00 0.00 174.62 174.90 1a88 s ASN 10 N 1.00 6.87 -0.20 3.53 0.01 -1.26 -1.06 114.94 123.83 1a88 s ASN 10 Ca 0.59 1.05 -0.07 0.00 -0.71 0.00 0.00 52.86 53.72 1a88 s ASN 10 Cb -0.30 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1a88 s ASN 10 CO 0.30 -0.13 0.05 -0.63 -1.51 0.00 0.00 177.10 175.17 1a88 s ILE 11 N 1.01 4.48 0.14 0.60 -1.09 0.66 -2.10 121.20 124.88 1a88 s ILE 11 Ca 0.34 -0.14 -0.21 0.00 -2.23 0.00 0.00 60.65 58.41 1a88 s ILE 11 Cb -0.17 -3.03 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 1a88 s ILE 11 CO 0.15 0.43 0.66 0.12 -1.23 0.00 0.00 174.94 175.07 1a88 s PHE 12 N 0.77 3.80 0.08 3.97 2.19 -1.26 -1.01 117.98 126.52 1a88 s PHE 12 Ca 0.03 1.40 -0.09 0.00 0.33 0.00 0.00 56.93 58.60 1a88 s PHE 12 Cb -0.14 -2.60 -0.00 0.00 -1.31 0.00 0.00 43.02 38.97 1a88 s PHE 12 CO 0.02 0.51 0.19 1.52 1.83 0.00 0.00 175.22 179.28 1a88 s TYR 13 N -1.23 0.15 0.08 10.12 1.13 -0.48 -0.93 117.35 126.20 1a88 s TYR 13 Ca 0.34 -0.56 0.05 0.00 -1.41 0.00 0.00 57.07 55.50 1a88 s TYR 13 Cb -0.20 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1a88 s TYR 13 CO 0.22 -0.53 -0.04 0.15 -2.51 0.00 0.00 175.55 172.84 1a88 s LYS 14 N -3.71 2.42 -0.30 -3.49 1.02 0.36 -0.76 119.74 115.28 1a88 s LYS 14 Ca 0.04 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1a88 s LYS 14 Cb 0.04 -2.46 0.15 0.00 -0.52 0.00 0.00 37.83 35.04 1a88 s LYS 14 CO -0.10 0.54 0.38 0.34 -0.92 0.00 0.00 175.35 175.58 1a88 s ASP 15 N -2.18 0.82 0.32 2.83 2.15 -1.26 -2.08 116.67 117.26 1a88 s ASP 15 Ca 0.23 -0.62 0.09 0.00 0.43 0.00 0.00 52.55 52.68 1a88 s ASP 15 Cb -0.11 0.89 -0.05 0.00 -0.30 0.00 0.00 42.92 43.35 1a88 s ASP 15 CO 0.16 -0.35 0.01 0.26 -0.17 0.00 0.00 175.17 175.08 1a88 s TRP 16 N 2.37 2.59 0.00 -5.34 0.51 -0.19 -4.96 118.94 113.91 1a88 s TRP 16 Ca 0.10 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 1a88 s TRP 16 Cb -0.13 -1.40 0.00 0.00 -0.81 0.00 0.00 33.47 31.13 1a88 s TRP 16 CO -0.28 0.51 0.00 0.41 -0.51 0.00 0.00 176.95 177.08 1a88 n GLY 17 N -0.95 -3.23 3.73 0.98 0.00 -1.26 -0.62 105.19 103.84 1a88 n GLY 17 Ca -0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1a88 n GLY 17 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a88 n PRO 18 N -0.17 2.75 0.16 1.61 -0.02 -1.26 -4.88 135.00 133.20 1a88 n PRO 18 Ca 0.00 0.99 0.05 0.00 -2.02 0.00 0.00 63.50 62.52 1a88 n PRO 18 Cb 0.00 -2.82 0.49 0.00 -0.02 0.00 0.00 33.50 31.15 1a88 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a88 h ARG 19 N 6.15 0.17 -0.01 -0.52 2.47 -1.98 0.90 114.38 121.57 1a88 h ARG 19 Ca -0.44 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1a88 h ARG 19 Cb 1.21 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1a88 h ARG 19 CO 0.91 0.22 -0.11 -0.40 0.56 0.00 0.00 179.97 181.15 1a88 n ASP 20 N -4.39 0.61 -4.74 7.04 5.75 -1.26 -4.97 116.55 114.59 1a88 n ASP 20 Ca -0.01 -0.75 -0.31 0.00 -0.01 0.00 0.00 54.79 53.71 1a88 n ASP 20 Cb 0.18 -0.03 0.11 0.00 -1.03 0.00 0.00 41.12 40.35 1a88 n ASP 20 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1a88 s GLY 21 N -2.39 1.66 0.11 6.12 0.00 0.31 -4.97 107.32 108.16 1a88 s GLY 21 Ca 0.31 0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.91 1a88 s GLY 21 CO 0.46 0.59 1.33 -2.27 0.00 0.00 0.00 173.10 173.21 1a88 s LEU 22 N -6.08 4.37 -0.04 0.66 0.20 -1.26 -4.49 118.68 112.04 1a88 s LEU 22 Ca 0.62 2.24 -0.30 0.00 0.69 0.00 0.00 54.13 57.39 1a88 s LEU 22 Cb -0.18 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 41.97 1a88 s LEU 22 CO 0.57 -0.59 0.99 -2.16 -0.29 0.00 0.00 176.35 174.86 1a88 s PRO 23 N 0.99 4.50 -0.23 0.98 0.04 -1.26 -1.29 135.00 138.73 1a88 s PRO 23 Ca 0.62 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 1a88 s PRO 23 Cb -0.35 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.72 1a88 s PRO 23 CO 0.31 -0.16 -0.11 0.08 0.04 0.00 0.00 177.00 177.16 1a88 s VAL 24 N 1.42 2.59 -0.19 -0.36 1.01 0.12 -1.12 120.40 123.86 1a88 s VAL 24 Ca 0.50 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1a88 s VAL 24 Cb -0.20 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1a88 s VAL 24 CO 0.24 0.29 0.00 -0.69 0.00 0.00 0.00 175.10 174.94 1a88 s VAL 25 N 1.30 4.07 -0.11 2.92 1.01 0.40 -1.33 120.40 128.65 1a88 s VAL 25 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1a88 s VAL 25 Cb -0.16 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1a88 s VAL 25 CO -0.07 0.45 -0.06 -0.36 0.00 0.00 0.00 175.10 175.06 1a88 s PHE 26 N 0.73 2.96 -0.29 5.22 0.08 0.18 0.16 117.98 127.02 1a88 s PHE 26 Ca 0.00 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.89 1a88 s PHE 26 Cb -0.14 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.55 1a88 s PHE 26 CO 0.02 0.12 -0.05 -1.01 -0.10 0.00 0.00 175.22 174.21 1a88 s HIS 27 N -0.20 3.42 0.90 0.36 3.76 0.65 -4.03 115.29 120.15 1a88 s HIS 27 Ca 0.03 -2.48 -0.11 0.00 -0.15 0.00 0.00 55.06 52.34 1a88 s HIS 27 Cb -0.13 -2.27 0.13 0.00 1.11 0.00 0.00 32.58 31.42 1a88 s HIS 27 CO 0.03 -0.90 1.09 -3.38 -0.85 0.00 0.00 174.74 170.73 1a88 s HIS 28 N 1.06 2.28 0.53 1.40 -3.43 -1.26 -1.62 115.29 114.25 1a88 s HIS 28 Ca -0.03 1.30 -0.00 0.00 -0.80 0.00 0.00 55.06 55.53 1a88 s HIS 28 Cb -0.20 -3.16 0.11 0.00 -1.43 0.00 0.00 32.58 27.90 1a88 s HIS 28 CO -0.05 -2.41 0.73 0.41 -2.00 0.00 0.00 174.74 171.41 1a88 n GLY 29 N -1.02 0.69 3.82 -1.38 0.00 -1.22 -2.99 105.19 103.10 1a88 n GLY 29 Ca 0.07 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 1a88 n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1a88 s TRP 30 N -2.19 3.71 -0.81 1.61 -0.00 -1.26 -1.59 118.94 118.41 1a88 s TRP 30 Ca 0.48 1.22 0.01 0.00 -0.00 0.00 0.00 56.10 57.81 1a88 s TRP 30 Cb -0.03 -2.48 0.35 0.00 -0.00 0.00 0.00 33.47 31.31 1a88 s TRP 30 CO 0.32 0.48 1.62 -0.35 -0.00 0.00 0.00 176.95 179.02 1a88 n PRO 31 N 1.19 3.96 0.00 5.86 -0.04 -1.26 -4.98 135.00 139.73 1a88 n PRO 31 Ca -0.07 -4.35 0.00 0.00 -0.04 0.00 0.00 63.50 59.04 1a88 n PRO 31 Cb 0.51 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1a88 n PRO 31 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a88 n LEU 32 N -0.30 0.00 -3.81 1.53 4.77 -0.62 -3.59 117.00 114.98 1a88 n LEU 32 Ca 0.45 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1a88 n LEU 32 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1a88 n LEU 32 CO 0.46 0.00 0.61 -0.94 -1.33 0.00 0.00 177.39 176.19 1a88 s SER 33 N -1.00 -0.16 0.60 -1.43 1.04 -1.26 -4.10 113.70 107.39 1a88 s SER 33 Ca 0.00 -0.62 0.29 0.00 0.48 0.00 0.00 55.95 56.11 1a88 s SER 33 Cb 0.00 0.63 1.60 0.00 0.10 0.00 0.00 66.02 68.35 1a88 s SER 33 CO 0.00 -1.19 2.00 0.00 0.98 0.00 0.00 173.24 175.03 1a88 h ALA 34 N 2.00 1.88 0.00 5.32 0.00 -1.90 -1.50 119.26 125.06 1a88 h ALA 34 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a88 h ALA 34 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a88 h ALA 34 CO 0.28 -0.46 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 1a88 n ASP 35 N -3.63 0.00 0.04 0.00 9.92 -1.26 -2.41 116.55 119.21 1a88 n ASP 35 Ca 0.04 0.03 0.11 0.00 -0.53 0.00 0.00 54.79 54.44 1a88 n ASP 35 Cb 0.46 -0.26 0.46 0.00 -0.64 0.00 0.00 41.12 41.15 1a88 n ASP 35 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1a88 n ASP 36 N -1.26 0.25 -1.34 -2.24 2.03 -0.56 -2.95 116.55 110.48 1a88 n ASP 36 Ca 0.07 0.54 0.12 0.00 0.52 0.00 0.00 54.79 56.04 1a88 n ASP 36 Cb 0.10 -0.60 0.32 0.00 -0.72 0.00 0.00 41.12 40.22 1a88 n ASP 36 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1a88 n TRP 37 N -1.75 0.95 -0.29 -0.67 7.02 -1.01 -4.72 117.44 116.97 1a88 n TRP 37 Ca 0.05 -0.48 -0.07 0.00 -1.02 0.00 0.00 57.50 55.98 1a88 n TRP 37 Cb 0.28 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.14 1a88 n TRP 37 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1a88 h ASP 38 N 4.29 -1.63 -0.31 -0.99 3.32 -1.75 0.69 116.42 120.04 1a88 h ASP 38 Ca 0.00 0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1a88 h ASP 38 Cb 0.98 0.76 -0.07 0.00 0.22 0.00 0.00 39.33 41.22 1a88 h ASP 38 CO 0.00 -0.30 -0.16 -1.13 -1.72 0.00 0.00 179.24 175.93 1a88 h ASN 39 N -0.13 -0.53 0.50 6.45 -0.73 -1.89 -2.02 115.58 117.22 1a88 h ASN 39 Ca 0.21 0.12 -0.14 0.00 1.87 0.00 0.00 56.30 58.37 1a88 h ASN 39 Cb 0.54 0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 1a88 h ASN 39 CO -0.81 -0.19 -0.62 1.56 -0.37 0.00 0.00 177.43 176.99 1a88 h GLN 40 N -0.11 0.12 -0.31 6.67 7.50 -1.66 -1.35 115.11 125.96 1a88 h GLN 40 Ca 0.16 -0.08 -0.06 0.00 0.50 0.00 0.00 58.65 59.16 1a88 h GLN 40 Cb 0.36 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1a88 h GLN 40 CO -0.38 0.70 -0.05 0.52 -1.50 0.00 0.00 178.83 178.12 1a88 h MET 41 N 0.09 0.58 -0.73 1.46 2.86 -0.68 -0.13 114.93 118.38 1a88 h MET 41 Ca -0.01 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1a88 h MET 41 Cb 1.11 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1a88 h MET 41 CO 0.09 0.75 0.34 -0.07 1.06 0.00 0.00 176.91 179.08 1a88 h LEU 42 N 0.35 0.96 0.33 1.22 3.38 -1.27 -0.67 115.31 119.61 1a88 h LEU 42 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1a88 h LEU 42 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1a88 h LEU 42 CO 0.03 0.83 -0.21 0.15 0.09 0.00 0.00 178.44 179.32 1a88 h PHE 43 N 1.02 -0.56 -0.18 1.13 3.57 -1.03 -1.12 116.94 119.77 1a88 h PHE 43 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1a88 h PHE 43 Cb 0.13 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1a88 h PHE 43 CO 0.01 -0.33 -0.36 0.74 -2.23 0.00 0.00 178.31 176.14 1a88 h PHE 44 N -0.53 0.44 -0.88 0.41 0.04 -0.95 -2.47 116.94 113.00 1a88 h PHE 44 Ca -0.03 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.66 1a88 h PHE 44 Cb 0.44 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 1a88 h PHE 44 CO -0.10 0.69 0.57 -0.07 -0.60 0.00 0.00 178.31 178.80 1a88 h LEU 45 N 0.32 0.95 -1.59 1.54 3.38 -1.01 -0.96 115.31 117.94 1a88 h LEU 45 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a88 h LEU 45 Cb 0.78 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1a88 h LEU 45 CO 0.06 0.65 -0.03 0.77 0.09 0.00 0.00 178.44 179.98 1a88 h SER 46 N 1.11 0.00 -0.59 -0.43 4.64 -0.74 -1.66 113.55 115.88 1a88 h SER 46 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1a88 h SER 46 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a88 h SER 46 CO -0.11 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.29 1a88 n HIS 47 N -3.15 0.89 -0.48 4.77 8.25 -0.45 -4.94 115.22 120.11 1a88 n HIS 47 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1a88 n HIS 47 Cb 0.29 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1a88 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a88 n GLY 48 N 1.36 0.75 3.92 -1.41 0.00 -0.62 -5.07 105.19 104.12 1a88 n GLY 48 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1a88 n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a88 s TYR 49 N -2.27 3.25 -0.19 1.61 1.51 -0.71 -4.53 117.35 116.01 1a88 s TYR 49 Ca 0.00 0.62 -0.18 0.00 -1.01 0.00 0.00 57.07 56.50 1a88 s TYR 49 Cb 0.00 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1a88 s TYR 49 CO 0.00 -0.80 0.49 0.50 -1.11 0.00 0.00 175.55 174.62 1a88 s ARG 50 N -4.97 4.21 -0.13 -0.62 3.52 -0.41 -4.31 118.95 116.24 1a88 s ARG 50 Ca 0.54 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.53 1a88 s ARG 50 Cb -0.10 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1a88 s ARG 50 CO 0.45 -0.08 -0.19 0.14 -0.81 0.00 0.00 175.30 174.81 1a88 s VAL 51 N 1.41 2.41 -0.06 7.11 -7.23 0.21 -0.70 120.40 123.55 1a88 s VAL 51 Ca 0.23 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1a88 s VAL 51 Cb -0.15 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1a88 s VAL 51 CO 0.09 0.54 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.64 1a88 s ILE 52 N 0.58 1.35 -0.13 -0.62 1.01 -0.44 -1.02 121.20 121.93 1a88 s ILE 52 Ca -0.11 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1a88 s ILE 52 Cb -0.16 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.17 1a88 s ILE 52 CO 0.03 0.40 0.32 0.00 0.00 0.00 0.00 174.94 175.70 1a88 s ALA 53 N 0.32 -0.79 0.29 9.38 0.00 -0.89 -0.65 121.76 129.42 1a88 s ALA 53 Ca -0.10 1.16 0.10 0.00 0.00 0.00 0.00 51.96 53.12 1a88 s ALA 53 Cb -0.14 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1a88 s ALA 53 CO 0.03 -0.21 0.00 -3.38 0.00 0.00 0.00 175.76 172.21 1a88 s HIS 54 N 1.01 2.64 -0.31 0.00 -3.43 -1.26 -0.48 115.29 113.45 1a88 s HIS 54 Ca -0.07 -0.29 -0.17 0.00 -0.80 0.00 0.00 55.06 53.74 1a88 s HIS 54 Cb -0.07 -1.28 -0.02 0.00 -1.43 0.00 0.00 32.58 29.78 1a88 s HIS 54 CO -0.08 0.57 0.46 -0.51 -2.00 0.00 0.00 174.74 173.19 1a88 s ASP 55 N -3.69 6.31 0.64 7.38 1.01 -0.10 -3.78 116.67 124.43 1a88 s ASP 55 Ca 0.33 0.13 -0.17 0.00 0.71 0.00 0.00 52.55 53.55 1a88 s ASP 55 Cb -0.05 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 1a88 s ASP 55 CO 0.20 -0.35 0.46 -1.14 0.21 0.00 0.00 175.17 174.54 1a88 n ARG 56 N 5.56 0.38 -1.71 8.23 0.63 -1.26 -4.31 116.66 124.18 1a88 n ARG 56 Ca -0.06 0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 1a88 n ARG 56 Cb 0.50 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 1a88 n ARG 56 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1a88 n ARG 57 N -0.20 2.25 -1.00 -0.14 1.85 -1.26 -1.35 116.66 116.81 1a88 n ARG 57 Ca 0.10 0.79 -0.00 0.00 -1.00 0.00 0.00 57.85 57.74 1a88 n ARG 57 Cb 0.49 -2.42 -0.00 0.00 -1.05 0.00 0.00 32.46 29.47 1a88 n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a88 n GLY 58 N 1.07 0.41 3.21 2.89 0.00 -0.08 -5.00 105.19 107.70 1a88 n GLY 58 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1a88 n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a88 s HIS 59 N -1.82 1.43 0.00 1.61 3.76 -0.45 -0.16 115.29 119.65 1a88 s HIS 59 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1a88 s HIS 59 Cb 0.00 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.89 1a88 s HIS 59 CO 0.00 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 1a88 n GLY 60 N 1.26 3.70 0.33 -2.22 0.00 -1.26 -1.89 105.19 105.11 1a88 n GLY 60 Ca -0.20 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1a88 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a88 n ARG 61 N 14.00 0.88 -1.24 1.61 1.74 -1.26 -4.47 116.66 127.93 1a88 n ARG 61 Ca 0.00 -0.67 -0.31 0.00 -0.77 0.00 0.00 57.85 56.10 1a88 n ARG 61 Cb 0.00 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1a88 n ARG 61 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1a88 s SER 62 N -2.58 4.16 0.99 0.55 0.01 -0.79 -4.67 113.70 111.37 1a88 s SER 62 Ca 0.18 1.72 -0.11 0.00 1.31 0.00 0.00 55.95 59.05 1a88 s SER 62 Cb 0.18 -2.41 0.16 0.00 0.21 0.00 0.00 66.02 64.16 1a88 s SER 62 CO 0.60 -2.24 0.94 0.47 0.41 0.00 0.00 173.24 173.42 1a88 n ASP 63 N -3.65 -0.64 -3.86 2.44 8.00 -0.89 -4.52 116.55 113.43 1a88 n ASP 63 Ca 0.08 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 1a88 n ASP 63 Cb 0.54 -1.36 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 1a88 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a88 n GLN 64 N -3.88 2.16 -1.59 -1.24 6.02 -1.26 -0.90 117.38 116.69 1a88 n GLN 64 Ca 0.09 -4.53 -0.30 0.00 -0.01 0.00 0.00 57.00 52.24 1a88 n GLN 64 Cb 0.53 -2.31 0.07 0.00 1.02 0.00 0.00 30.24 29.55 1a88 n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a88 s PRO 65 N -1.66 2.51 0.20 -1.09 0.04 -1.26 -4.97 135.00 128.77 1a88 s PRO 65 Ca 0.28 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 1a88 s PRO 65 Cb -0.01 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.71 1a88 s PRO 65 CO -0.13 -1.35 1.52 1.03 0.04 0.00 0.00 177.00 178.12 1a88 h SER 66 N -0.89 0.59 -4.93 6.66 0.87 -2.03 -3.47 113.55 110.35 1a88 h SER 66 Ca -0.46 -0.30 -0.58 0.00 -1.23 0.00 0.00 61.79 59.22 1a88 h SER 66 Cb 1.24 -0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 62.91 1a88 h SER 66 CO 0.59 1.00 -0.47 0.35 -0.53 0.00 0.00 176.83 177.77 1a88 n THR 67 N -3.96 0.00 -0.39 2.23 -2.24 -1.26 -4.87 114.28 103.79 1a88 n THR 67 Ca -0.03 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 1a88 n THR 67 Cb 0.59 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1a88 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a88 n GLY 68 N -0.87 0.76 2.98 3.38 0.00 -1.26 -5.00 105.19 105.18 1a88 n GLY 68 Ca -0.08 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1a88 n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a88 n HIS 69 N -2.39 3.46 -3.55 1.61 -0.00 -1.26 -4.51 115.22 108.58 1a88 n HIS 69 Ca 0.00 -2.92 -0.11 0.00 -0.00 0.00 0.00 57.72 54.69 1a88 n HIS 69 Cb 0.00 -2.12 -0.03 0.00 -0.00 0.00 0.00 29.99 27.84 1a88 n HIS 69 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1a88 s ASP 70 N 1.73 -0.37 0.33 0.41 1.47 -1.26 -4.56 116.67 114.42 1a88 s ASP 70 Ca 0.42 -0.19 0.01 0.00 1.18 0.00 0.00 52.55 53.97 1a88 s ASP 70 Cb 0.08 0.53 0.57 0.00 -0.34 0.00 0.00 42.92 43.76 1a88 s ASP 70 CO -0.01 -0.91 1.97 0.24 0.68 0.00 0.00 175.17 177.15 1a88 h MET 71 N 2.21 0.94 -0.37 2.11 2.86 -1.89 -1.40 114.93 119.39 1a88 h MET 71 Ca -0.34 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1a88 h MET 71 Cb 1.28 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1a88 h MET 71 CO 0.43 0.62 0.10 -0.44 1.06 0.00 0.00 176.91 178.68 1a88 h ASP 72 N 0.96 0.54 -0.65 1.22 3.32 -1.97 -0.75 116.42 119.09 1a88 h ASP 72 Ca 0.30 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1a88 h ASP 72 Cb 0.01 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1a88 h ASP 72 CO -0.08 0.62 0.32 0.74 -1.72 0.00 0.00 179.24 179.12 1a88 h THR 73 N 0.44 1.22 -0.55 0.35 2.02 -1.71 -1.58 112.91 113.10 1a88 h THR 73 Ca 0.12 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1a88 h THR 73 Cb 0.27 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1a88 h THR 73 CO -0.00 0.25 0.28 1.88 0.37 0.00 0.00 175.52 178.30 1a88 h TYR 74 N 0.89 0.51 -0.39 3.16 0.05 -1.11 0.22 116.97 120.30 1a88 h TYR 74 Ca 0.22 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.92 1a88 h TYR 74 Cb 0.10 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1a88 h TYR 74 CO 0.00 0.23 -0.18 0.00 -1.05 0.00 0.00 178.16 177.16 1a88 h ALA 75 N 1.31 0.95 -0.43 3.88 0.00 -1.01 -1.73 119.26 122.22 1a88 h ALA 75 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1a88 h ALA 75 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a88 h ALA 75 CO -0.18 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1a88 h ALA 76 N 1.14 1.18 -0.53 0.00 0.00 -0.20 -1.73 119.26 119.12 1a88 h ALA 76 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1a88 h ALA 76 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1a88 h ALA 76 CO 0.05 0.54 0.02 -0.44 0.00 0.00 0.00 179.25 179.41 1a88 h ASP 77 N 0.67 0.85 -0.24 0.00 3.32 -0.17 -0.64 116.42 120.21 1a88 h ASP 77 Ca 0.13 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1a88 h ASP 77 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1a88 h ASP 77 CO 0.02 0.90 0.10 0.58 -1.72 0.00 0.00 179.24 179.12 1a88 h VAL 78 N 0.82 1.17 -0.76 -1.35 2.07 -0.90 -2.34 116.25 114.96 1a88 h VAL 78 Ca 0.16 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a88 h VAL 78 Cb 0.46 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1a88 h VAL 78 CO 0.02 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.26 1a88 h ALA 79 N 0.94 1.42 -0.56 1.67 0.00 -0.85 0.49 119.26 122.37 1a88 h ALA 79 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1a88 h ALA 79 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1a88 h ALA 79 CO -0.01 0.52 0.32 0.00 0.00 0.00 0.00 179.25 180.08 1a88 h ALA 80 N 1.50 0.72 0.09 0.00 0.00 -0.88 -0.26 119.26 120.42 1a88 h ALA 80 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a88 h ALA 80 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a88 h ALA 80 CO -0.06 0.01 -0.04 1.25 0.00 0.00 0.00 179.25 180.41 1a88 h LEU 81 N 0.62 -0.10 -1.06 0.00 5.85 -0.66 -0.18 115.31 119.78 1a88 h LEU 81 Ca 0.24 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1a88 h LEU 81 Cb 0.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1a88 h LEU 81 CO -0.13 0.10 -0.43 0.71 -0.34 0.00 0.00 178.44 178.35 1a88 h THR 82 N -0.29 1.32 -0.13 1.05 1.35 -0.82 -1.70 112.91 113.68 1a88 h THR 82 Ca -0.01 -1.52 -0.09 0.00 -0.55 0.00 0.00 66.41 64.23 1a88 h THR 82 Cb 0.25 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1a88 h THR 82 CO 0.02 0.44 -0.29 -0.08 -0.25 0.00 0.00 175.52 175.36 1a88 h GLU 83 N 0.07 0.43 -1.00 4.72 4.81 -1.02 0.35 114.58 122.94 1a88 h GLU 83 Ca 0.00 -0.28 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1a88 h GLU 83 Cb 0.79 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 1a88 h GLU 83 CO 0.06 0.89 0.64 0.00 -0.73 0.00 0.00 179.01 179.87 1a88 h ALA 84 N 0.54 1.41 -0.00 2.92 0.00 -0.78 -1.21 119.26 122.13 1a88 h ALA 84 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a88 h ALA 84 Cb 0.88 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a88 h ALA 84 CO 0.06 0.41 -0.36 1.28 0.00 0.00 0.00 179.25 180.65 1a88 n LEU 85 N -4.52 0.60 -3.66 0.00 4.77 -0.66 -4.98 117.00 108.55 1a88 n LEU 85 Ca 0.16 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1a88 n LEU 85 Cb 0.21 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1a88 n LEU 85 CO 0.31 0.13 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.76 1a88 n ASP 86 N -1.22 -4.14 -4.77 -1.43 2.03 0.02 -4.93 116.55 102.11 1a88 n ASP 86 Ca 0.08 -0.94 -0.38 0.00 0.52 0.00 0.00 54.79 54.07 1a88 n ASP 86 Cb 0.33 -3.71 -0.06 0.00 -0.72 0.00 0.00 41.12 36.96 1a88 n ASP 86 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a88 s LEU 87 N -6.43 4.47 -0.05 -2.67 1.43 -0.65 -5.05 118.68 109.73 1a88 s LEU 87 Ca 0.33 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1a88 s LEU 87 Cb -0.10 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1a88 s LEU 87 CO 0.84 -0.01 -0.08 -0.13 0.23 0.00 0.00 176.35 177.20 1a88 s ARG 88 N -1.69 1.15 -1.26 1.70 1.81 -1.26 -4.60 118.95 114.80 1a88 s ARG 88 Ca 0.47 -0.23 -0.03 0.00 -1.72 0.00 0.00 55.73 54.21 1a88 s ARG 88 Cb -0.23 -1.04 0.00 0.00 -0.45 0.00 0.00 34.95 33.23 1a88 s ARG 88 CO 0.29 -0.02 0.41 0.41 -0.68 0.00 0.00 175.30 175.70 1a88 n GLY 89 N 3.88 -0.27 3.80 -3.53 0.00 -0.10 -4.75 105.19 104.22 1a88 n GLY 89 Ca -0.24 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1a88 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 s ALA 90 N -3.01 2.65 -0.23 4.61 0.00 -0.29 -4.04 121.76 121.44 1a88 s ALA 90 Ca 0.20 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1a88 s ALA 90 Cb -0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1a88 s ALA 90 CO 0.25 -1.10 0.09 0.08 0.00 0.00 0.00 175.76 175.08 1a88 s VAL 91 N -2.72 4.68 -0.21 0.00 1.01 -0.28 -0.89 120.40 121.99 1a88 s VAL 91 Ca 0.61 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 1a88 s VAL 91 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1a88 s VAL 91 CO 0.46 0.36 0.09 -1.00 0.00 0.00 0.00 175.10 175.01 1a88 s HIS 92 N 1.25 3.22 -0.21 5.22 3.76 -0.77 -0.45 115.29 127.30 1a88 s HIS 92 Ca 0.05 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1a88 s HIS 92 Cb -0.14 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.39 1a88 s HIS 92 CO 0.04 -0.00 -0.13 0.42 -0.85 0.00 0.00 174.74 174.22 1a88 s ILE 93 N 0.88 2.60 -0.02 0.60 1.01 0.12 -0.39 121.20 126.00 1a88 s ILE 93 Ca 0.05 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1a88 s ILE 93 Cb -0.13 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1a88 s ILE 93 CO 0.03 0.42 -0.24 -0.83 0.00 0.00 0.00 174.94 174.32 1a88 s GLY 94 N 1.35 1.16 -0.09 6.18 0.00 -0.22 -0.25 107.32 115.44 1a88 s GLY 94 Ca 0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1a88 s GLY 94 CO -0.08 -0.84 -0.05 -1.58 0.00 0.00 0.00 173.10 170.54 1a88 s HIS 95 N -0.54 2.99 0.00 1.90 2.46 -0.64 -1.20 115.29 120.25 1a88 s HIS 95 Ca 0.09 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.57 1a88 s HIS 95 Cb -0.09 -1.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1a88 s HIS 95 CO -0.01 0.25 0.00 0.45 -2.47 0.00 0.00 174.74 172.96 1a88 n SER 96 N 2.58 0.00 -0.31 9.88 2.88 -0.34 0.00 113.62 128.31 1a88 n SER 96 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 1a88 n SER 96 Cb 0.53 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.31 1a88 n SER 96 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a88 h THR 97 N 0.00 0.86 0.00 2.46 2.02 -1.85 0.14 112.91 116.54 1a88 h THR 97 Ca 0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1a88 h THR 97 Cb 0.00 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1a88 h THR 97 CO 0.00 0.15 -0.02 1.23 0.37 0.00 0.00 175.52 177.25 1a88 h GLY 98 N 0.81 0.00 2.00 2.16 0.00 -0.32 -1.53 103.07 106.19 1a88 h GLY 98 Ca 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 1a88 h GLY 98 CO -0.24 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.63 1a88 h GLY 99 N 0.05 0.00 1.33 4.60 0.00 -0.62 -1.45 103.07 106.99 1a88 h GLY 99 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1a88 h GLY 99 CO 0.00 0.00 -0.76 -1.33 0.00 0.00 0.00 176.54 174.45 1a88 h GLY 100 N 1.28 0.72 0.95 4.60 0.00 -1.31 -1.82 103.07 107.50 1a88 h GLY 100 Ca -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 47.33 46.32 1a88 h GLY 100 CO 0.04 0.91 0.38 -2.09 0.00 0.00 0.00 176.54 175.78 1a88 h GLU 101 N 0.45 0.74 0.13 4.80 4.81 -1.28 -1.54 114.58 122.68 1a88 h GLU 101 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1a88 h GLU 101 Cb 1.37 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1a88 h GLU 101 CO 0.15 0.49 -0.06 0.28 -0.73 0.00 0.00 179.01 179.13 1a88 h VAL 102 N 0.76 0.95 -0.46 0.32 2.07 -1.14 -0.50 116.25 118.25 1a88 h VAL 102 Ca 0.22 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1a88 h VAL 102 Cb -0.04 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1a88 h VAL 102 CO -0.07 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.63 1a88 h ALA 103 N 0.54 0.46 -0.49 1.67 0.00 -1.16 0.16 119.26 120.44 1a88 h ALA 103 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1a88 h ALA 103 Cb 0.25 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a88 h ALA 103 CO 0.03 -0.36 -0.19 -0.09 0.00 0.00 0.00 179.25 178.63 1a88 h ARG 104 N 0.15 1.00 -0.29 0.00 2.43 -1.21 -1.93 114.38 114.53 1a88 h ARG 104 Ca 0.23 -0.41 -0.13 0.00 -0.81 0.00 0.00 59.98 58.86 1a88 h ARG 104 Cb 0.33 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a88 h ARG 104 CO -0.35 1.09 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.95 1a88 h TYR 105 N 0.87 0.89 -0.29 2.20 3.20 -0.78 -2.77 116.97 120.28 1a88 h TYR 105 Ca 0.12 -0.28 -0.10 0.00 3.14 0.00 0.00 58.73 61.61 1a88 h TYR 105 Cb 0.77 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1a88 h TYR 105 CO 0.05 1.04 -0.24 0.28 -1.64 0.00 0.00 178.16 177.64 1a88 h VAL 106 N 0.48 1.27 -0.86 1.81 2.07 -0.62 0.01 116.25 120.41 1a88 h VAL 106 Ca 0.04 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1a88 h VAL 106 Cb 0.91 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1a88 h VAL 106 CO 0.08 0.41 0.51 0.00 0.02 0.00 0.00 177.57 178.59 1a88 h ALA 107 N 1.25 1.29 -0.08 1.67 0.00 -1.28 -2.83 119.26 119.28 1a88 h ALA 107 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a88 h ALA 107 Cb 0.68 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a88 h ALA 107 CO 0.05 0.61 0.00 0.54 0.00 0.00 0.00 179.25 180.45 1a88 n ARG 108 N -4.36 2.11 -2.06 0.00 1.74 -0.95 -4.95 116.66 108.19 1a88 n ARG 108 Ca 0.09 -1.63 -0.35 0.00 -0.77 0.00 0.00 57.85 55.19 1a88 n ARG 108 Cb 0.07 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1a88 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a88 s ALA 109 N -1.92 2.58 0.65 7.54 0.00 -0.05 -5.00 121.76 125.56 1a88 s ALA 109 Ca 0.33 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1a88 s ALA 109 Cb 0.20 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1a88 s ALA 109 CO 0.31 -1.03 1.20 -1.21 0.00 0.00 0.00 175.76 175.03 1a88 s GLU 110 N -3.47 2.64 0.35 0.00 2.02 -1.26 -4.93 118.70 114.04 1a88 s GLU 110 Ca 0.73 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 57.20 1a88 s GLU 110 Cb -0.25 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 1a88 s GLU 110 CO 0.32 -1.45 1.46 -2.14 0.02 0.00 0.00 175.26 173.47 1a88 s PRO 111 N -3.63 4.17 0.00 0.39 0.02 -1.26 -2.31 135.00 132.37 1a88 s PRO 111 Ca 0.75 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.26 1a88 s PRO 111 Cb -0.29 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1a88 s PRO 111 CO 0.39 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 1a88 n GLY 112 N 0.84 1.24 0.19 0.52 0.00 -1.26 -4.86 105.19 101.85 1a88 n GLY 112 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1a88 n GLY 112 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a88 h ARG 113 N 2.82 0.67 -6.34 1.61 2.47 -1.71 -0.24 114.38 113.65 1a88 h ARG 113 Ca 0.00 -0.71 -0.69 0.00 -1.26 0.00 0.00 59.98 57.32 1a88 h ARG 113 Cb 0.00 0.20 -0.28 0.00 -1.65 0.00 0.00 29.97 28.23 1a88 h ARG 113 CO 0.00 1.29 -0.85 0.08 0.56 0.00 0.00 179.97 181.05 1a88 s VAL 114 N -3.33 2.36 -0.21 2.04 1.01 -1.26 -1.14 120.40 119.87 1a88 s VAL 114 Ca -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1a88 s VAL 114 Cb 0.06 -1.87 -0.15 0.00 0.00 0.00 0.00 36.38 34.43 1a88 s VAL 114 CO 0.91 0.58 -0.18 0.00 0.00 0.00 0.00 175.10 176.41 1a88 n ALA 115 N 2.57 1.54 -3.08 5.51 0.00 -0.07 -4.78 120.51 122.20 1a88 n ALA 115 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.23 1a88 n ALA 115 Cb 0.52 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1a88 n ALA 115 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a88 s LYS 116 N -2.43 1.08 0.06 0.00 1.02 -1.21 -4.31 119.74 113.95 1a88 s LYS 116 Ca -0.28 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1a88 s LYS 116 Cb 0.07 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.83 1a88 s LYS 116 CO 0.51 -0.42 -0.08 0.00 -0.92 0.00 0.00 175.35 174.43 1a88 s ALA 117 N -3.63 0.75 -0.07 5.17 0.00 -0.90 -1.85 121.76 121.22 1a88 s ALA 117 Ca 0.02 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1a88 s ALA 117 Cb 0.01 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1a88 s ALA 117 CO -0.11 -0.06 -0.04 0.08 0.00 0.00 0.00 175.76 175.63 1a88 s VAL 118 N -1.97 0.64 -0.39 0.00 1.01 0.47 -1.75 120.40 118.41 1a88 s VAL 118 Ca -0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1a88 s VAL 118 Cb -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1a88 s VAL 118 CO -0.01 0.29 0.22 -0.76 0.00 0.00 0.00 175.10 174.84 1a88 s LEU 119 N 1.53 4.92 -0.23 3.92 1.43 0.34 -1.06 118.68 129.53 1a88 s LEU 119 Ca -0.01 -1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 51.66 1a88 s LEU 119 Cb -0.13 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1a88 s LEU 119 CO -0.04 -0.47 0.06 -0.69 0.23 0.00 0.00 176.35 175.44 1a88 s VAL 120 N 1.43 4.36 -1.56 -1.59 1.01 -0.34 -0.82 120.40 122.89 1a88 s VAL 120 Ca 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1a88 s VAL 120 Cb -0.22 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1a88 s VAL 120 CO 0.03 0.38 0.65 -1.20 0.00 0.00 0.00 175.10 174.96 1a88 n SER 121 N 4.49 -2.22 -4.91 3.32 7.64 0.20 -1.20 113.62 120.95 1a88 n SER 121 Ca -0.16 -0.99 -0.27 0.00 1.01 0.00 0.00 58.87 58.46 1a88 n SER 121 Cb 0.52 -3.00 -0.02 0.00 -1.01 0.00 0.00 64.21 60.70 1a88 n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a88 s ALA 122 N -3.58 3.54 0.21 -0.43 0.00 -1.26 -2.65 121.76 117.60 1a88 s ALA 122 Ca 0.42 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 51.97 1a88 s ALA 122 Cb -0.23 -2.38 0.66 0.00 0.00 0.00 0.00 23.12 21.17 1a88 s ALA 122 CO 0.90 -0.03 1.73 -0.39 0.00 0.00 0.00 175.76 177.98 1a88 h VAL 123 N 0.84 0.98 -4.25 0.00 -1.51 -1.88 -3.44 116.25 107.00 1a88 h VAL 123 Ca -0.48 -1.56 -0.52 0.00 -1.23 0.00 0.00 66.70 62.91 1a88 h VAL 123 Cb 1.20 1.92 0.15 0.00 -2.13 0.00 0.00 31.29 32.43 1a88 h VAL 123 CO 0.63 0.39 0.32 -2.84 -1.23 0.00 0.00 177.57 174.85 1a88 s PRO 124 N -3.67 1.97 0.03 5.19 0.02 -1.26 -3.58 135.00 133.70 1a88 s PRO 124 Ca -0.00 1.47 -0.20 0.00 0.02 0.00 0.00 61.00 62.29 1a88 s PRO 124 Cb 0.12 -1.84 -0.16 0.00 0.02 0.00 0.00 34.50 32.63 1a88 s PRO 124 CO 0.70 -1.91 1.28 -1.35 -0.33 0.00 0.00 177.00 175.39 1a88 h PRO 125 N -0.92 0.38 -1.88 5.54 0.11 -1.78 -3.41 132.00 130.04 1a88 h PRO 125 Ca -0.45 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1a88 h PRO 125 Cb 1.26 0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1a88 h PRO 125 CO 0.49 0.85 0.20 0.54 -0.21 0.00 0.00 178.00 179.86 1a88 s VAL 126 N -3.99 0.00 -0.17 3.15 0.11 -1.23 0.76 120.40 119.03 1a88 s VAL 126 Ca -0.14 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1a88 s VAL 126 Cb 0.05 -1.00 -0.23 0.00 -1.53 0.00 0.00 36.38 33.67 1a88 s VAL 126 CO 0.77 0.00 0.16 0.23 -3.33 0.00 0.00 175.10 172.93 1a88 n MET 127 N 2.91 0.72 -2.30 1.54 2.81 -1.21 -4.92 117.12 116.67 1a88 n MET 127 Ca -0.15 0.22 -0.40 0.00 -1.81 0.00 0.00 57.70 55.56 1a88 n MET 127 Cb 0.56 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1a88 n MET 127 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1a88 s VAL 128 N -2.55 3.11 0.16 2.03 0.11 -0.40 -1.03 120.40 121.83 1a88 s VAL 128 Ca -0.26 1.09 -0.31 0.00 -2.93 0.00 0.00 61.98 59.57 1a88 s VAL 128 Cb 0.07 -3.69 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 1a88 s VAL 128 CO 0.71 0.24 1.48 -0.75 -3.33 0.00 0.00 175.10 173.45 1a88 s LYS 129 N -1.70 4.27 0.00 1.54 2.20 0.12 -4.61 119.74 121.55 1a88 s LYS 129 Ca 0.48 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1a88 s LYS 129 Cb -0.35 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1a88 s LYS 129 CO 0.46 -0.51 0.00 -1.13 -0.36 0.00 0.00 175.35 173.81 1a88 n SER 130 N 3.65 0.00 0.43 1.43 3.41 -0.21 -4.83 113.62 117.50 1a88 n SER 130 Ca 0.12 -0.81 -0.19 0.00 -0.26 0.00 0.00 58.87 57.72 1a88 n SER 130 Cb 0.40 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 1a88 n SER 130 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1a88 h ASP 131 N 0.00 -1.07 0.50 4.04 2.03 -1.99 -2.70 116.42 117.23 1a88 h ASP 131 Ca 0.00 0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1a88 h ASP 131 Cb 0.00 0.30 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1a88 h ASP 131 CO 0.00 -0.70 -0.01 0.74 -1.03 0.00 0.00 179.24 178.24 1a88 h THR 132 N -1.14 0.03 -2.25 1.15 2.02 -1.97 -3.36 112.91 107.39 1a88 h THR 132 Ca -0.11 -0.27 -0.58 0.00 0.77 0.00 0.00 66.41 66.23 1a88 h THR 132 Cb 0.90 1.26 -0.38 0.00 -1.74 0.00 0.00 68.15 68.18 1a88 h THR 132 CO 0.14 0.01 -1.01 -3.20 0.37 0.00 0.00 175.52 171.82 1a88 n ASN 133 N -3.11 -0.20 0.29 4.18 5.15 -1.05 -4.97 115.26 115.56 1a88 n ASN 133 Ca -0.01 -2.50 0.16 0.00 -0.60 0.00 0.00 54.58 51.63 1a88 n ASN 133 Cb 0.19 -0.58 0.90 0.00 -0.53 0.00 0.00 39.78 39.75 1a88 n ASN 133 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a88 h PRO 134 N 5.08 0.00 -0.40 1.20 0.13 -1.65 -0.41 132.00 135.94 1a88 h PRO 134 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1a88 h PRO 134 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1a88 h PRO 134 CO 0.41 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 1a88 n ASP 135 N -3.57 2.35 -4.09 1.44 8.00 -1.26 -4.85 116.55 114.57 1a88 n ASP 135 Ca -0.02 -1.95 -0.30 0.00 0.71 0.00 0.00 54.79 53.23 1a88 n ASP 135 Cb 0.15 -0.27 0.20 0.00 -0.02 0.00 0.00 41.12 41.18 1a88 n ASP 135 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a88 s GLY 136 N -1.13 1.71 0.13 0.44 0.00 -0.90 -4.81 107.32 102.76 1a88 s GLY 136 Ca 0.31 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.79 1a88 s GLY 136 CO 0.22 -0.30 0.55 1.08 0.00 0.00 0.00 173.10 174.65 1a88 s LEU 137 N -6.19 4.37 0.64 0.66 1.43 -0.20 -4.19 118.68 115.20 1a88 s LEU 137 Ca 0.72 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 1a88 s LEU 137 Cb -0.06 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1a88 s LEU 137 CO 0.54 0.13 1.25 -2.16 0.23 0.00 0.00 176.35 176.34 1a88 s PRO 138 N -1.82 2.64 0.44 1.29 0.04 -1.26 0.12 135.00 136.45 1a88 s PRO 138 Ca 0.36 1.94 0.16 0.00 0.04 0.00 0.00 61.00 63.50 1a88 s PRO 138 Cb -0.16 -1.87 1.08 0.00 0.04 0.00 0.00 34.50 33.60 1a88 s PRO 138 CO 0.19 -1.49 1.94 1.25 0.04 0.00 0.00 177.00 178.93 1a88 h LEU 139 N 0.55 0.34 -2.00 -3.56 7.12 -1.96 -2.15 115.31 113.64 1a88 h LEU 139 Ca -0.50 0.02 0.08 0.00 0.13 0.00 0.00 57.88 57.60 1a88 h LEU 139 Cb 1.32 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 1a88 h LEU 139 CO 0.53 0.18 0.20 1.05 -0.13 0.00 0.00 178.44 180.27 1a88 h GLU 140 N 0.37 0.00 -0.57 1.25 9.09 -1.99 -0.81 114.58 121.93 1a88 h GLU 140 Ca 0.34 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.68 1a88 h GLU 140 Cb 0.80 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.88 1a88 h GLU 140 CO -0.10 0.00 0.09 0.28 0.05 0.00 0.00 179.01 179.33 1a88 h VAL 141 N 0.00 1.24 0.00 -1.06 2.07 -1.75 -1.20 116.25 115.55 1a88 h VAL 141 Ca 0.13 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.52 1a88 h VAL 141 Cb 0.52 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1a88 h VAL 141 CO -0.00 0.35 -0.88 -0.26 0.02 0.00 0.00 177.57 176.80 1a88 h PHE 142 N 0.87 0.00 -0.63 1.57 0.04 -1.42 -2.90 116.94 114.46 1a88 h PHE 142 Ca 0.18 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1a88 h PHE 142 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1a88 h PHE 142 CO 0.02 0.88 0.07 -0.44 -0.60 0.00 0.00 178.31 178.24 1a88 h ASP 143 N 0.00 1.03 -0.04 2.17 3.32 -0.95 -1.40 116.42 120.56 1a88 h ASP 143 Ca -0.01 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1a88 h ASP 143 Cb 1.68 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 1a88 h ASP 143 CO 0.11 1.05 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.24 1a88 h GLU 144 N 0.97 -0.17 -0.43 3.56 5.08 -1.12 -0.75 114.58 121.72 1a88 h GLU 144 Ca 0.19 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1a88 h GLU 144 Cb 0.48 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1a88 h GLU 144 CO 0.02 -0.11 0.13 0.74 -1.00 0.00 0.00 179.01 178.79 1a88 h PHE 145 N -0.17 0.23 -0.49 4.33 -1.00 -1.31 -1.36 116.94 117.17 1a88 h PHE 145 Ca 0.06 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.89 1a88 h PHE 145 Cb 0.25 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1a88 h PHE 145 CO -0.19 0.07 0.27 0.00 -1.61 0.00 0.00 178.31 176.84 1a88 h ARG 146 N 0.28 0.51 -0.39 1.51 3.08 -0.96 -1.08 114.38 117.33 1a88 h ARG 146 Ca 0.21 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1a88 h ARG 146 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1a88 h ARG 146 CO -0.23 0.34 -0.28 0.00 -1.07 0.00 0.00 179.97 178.73 1a88 h ALA 147 N 1.24 0.77 -0.23 0.04 0.00 -0.86 -1.57 119.26 118.65 1a88 h ALA 147 Ca 0.20 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1a88 h ALA 147 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a88 h ALA 147 CO -0.12 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.24 1a88 h ALA 148 N 0.97 0.38 -0.27 0.00 0.00 -1.03 -2.25 119.26 117.06 1a88 h ALA 148 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a88 h ALA 148 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1a88 h ALA 148 CO 0.07 0.59 0.18 1.25 0.00 0.00 0.00 179.25 181.33 1a88 h LEU 149 N 0.52 0.30 -1.02 0.00 6.46 -1.12 -1.54 115.31 118.92 1a88 h LEU 149 Ca -0.00 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1a88 h LEU 149 Cb 1.16 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1a88 h LEU 149 CO 0.12 0.22 0.05 0.00 -0.62 0.00 0.00 178.44 178.21 1a88 h ALA 150 N 1.10 1.19 0.11 1.25 0.00 -1.30 -2.71 119.26 118.91 1a88 h ALA 150 Ca 0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1a88 h ALA 150 Cb -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a88 h ALA 150 CO -0.03 0.54 -0.91 0.00 0.00 0.00 0.00 179.25 178.85 1a88 h ALA 151 N 1.33 -0.04 -0.90 0.00 0.00 -1.17 -3.43 119.26 115.06 1a88 h ALA 151 Ca 0.15 -0.69 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 1a88 h ALA 151 Cb 0.37 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.07 1a88 h ALA 151 CO 0.01 0.46 -0.55 -1.71 0.00 0.00 0.00 179.25 177.46 1a88 n ASN 152 N -4.04 -2.96 -0.23 0.00 2.85 -0.60 -5.02 115.26 105.26 1a88 n ASN 152 Ca -0.13 -2.96 0.01 0.00 -0.11 0.00 0.00 54.58 51.39 1a88 n ASN 152 Cb 0.84 1.51 0.13 0.00 1.24 0.00 0.00 39.78 43.50 1a88 n ASN 152 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1a88 h ARG 153 N 4.77 0.51 -0.65 1.20 2.43 -1.63 -1.93 114.38 119.09 1a88 h ARG 153 Ca 0.03 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1a88 h ARG 153 Cb 1.07 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1a88 h ARG 153 CO 0.14 0.34 0.43 0.00 -1.51 0.00 0.00 179.97 179.36 1a88 h ALA 154 N 1.43 1.56 0.05 2.80 0.00 -1.93 -0.82 119.26 122.35 1a88 h ALA 154 Ca 0.34 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 1a88 h ALA 154 Cb 0.38 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1a88 h ALA 154 CO -0.29 0.41 -1.12 0.37 0.00 0.00 0.00 179.25 178.61 1a88 h GLN 155 N 0.86 0.64 -0.71 0.00 5.75 -1.85 -3.22 115.11 116.58 1a88 h GLN 155 Ca 0.24 -0.76 0.05 0.00 -0.15 0.00 0.00 58.65 58.03 1a88 h GLN 155 Cb -0.07 0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1a88 h GLN 155 CO -0.05 1.33 0.47 0.35 -2.65 0.00 0.00 178.83 178.27 1a88 h PHE 156 N 0.33 0.78 -0.00 3.99 3.57 -1.15 -0.40 116.94 124.06 1a88 h PHE 156 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1a88 h PHE 156 Cb 1.78 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1a88 h PHE 156 CO 0.10 0.43 -0.02 0.66 -2.23 0.00 0.00 178.31 177.26 1a88 n TYR 157 N -4.47 0.00 -0.05 0.41 4.02 -0.33 -1.60 117.16 115.14 1a88 n TYR 157 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.77 1a88 n TYR 157 Cb 0.18 -0.24 -0.13 0.00 -0.02 0.00 0.00 39.34 39.13 1a88 n TYR 157 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1a88 n ILE 158 N -1.20 1.66 -0.12 -0.72 5.41 -0.27 -4.29 119.36 119.83 1a88 n ILE 158 Ca 0.15 -0.40 -0.06 0.00 1.00 0.00 0.00 62.75 63.45 1a88 n ILE 158 Cb 0.23 -1.85 0.02 0.00 -0.71 0.00 0.00 39.64 37.34 1a88 n ILE 158 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1a88 h ASP 159 N -0.40 0.21 0.52 4.38 3.32 -0.91 -2.13 116.42 121.41 1a88 h ASP 159 Ca -0.42 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1a88 h ASP 159 Cb 1.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 1a88 h ASP 159 CO -0.06 0.16 -0.35 0.58 -1.72 0.00 0.00 179.24 177.85 1a88 h VAL 160 N 0.34 0.29 0.00 -1.35 2.07 -1.53 -1.19 116.25 114.87 1a88 h VAL 160 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 1a88 h VAL 160 Cb 0.13 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1a88 h VAL 160 CO -0.16 0.00 -0.32 1.55 0.02 0.00 0.00 177.57 178.66 1a88 h PRO 161 N -0.83 0.00 0.00 1.57 0.13 -1.77 -2.21 132.00 128.89 1a88 h PRO 161 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1a88 h PRO 161 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1a88 h PRO 161 CO 0.04 0.32 -0.30 0.77 -0.23 0.00 0.00 178.00 178.60 1a88 h SER 162 N 0.00 0.00 0.00 1.44 0.02 -1.22 -3.39 113.55 110.40 1a88 h SER 162 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a88 h SER 162 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1a88 h SER 162 CO 0.04 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1a88 n GLY 163 N 0.28 0.41 0.14 -3.77 0.00 -0.46 -4.15 105.19 97.63 1a88 n GLY 163 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1a88 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a88 h PRO 164 N 0.00 0.00 -0.54 1.61 0.13 -1.75 -3.10 132.00 128.34 1a88 h PRO 164 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1a88 h PRO 164 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1a88 h PRO 164 CO 0.00 0.59 0.12 0.35 -0.23 0.00 0.00 178.00 178.83 1a88 h PHE 165 N 0.00 0.92 -0.24 1.56 3.04 -1.66 -3.20 116.94 117.36 1a88 h PHE 165 Ca -0.01 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1a88 h PHE 165 Cb 1.24 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1a88 h PHE 165 CO 0.00 0.81 0.00 0.66 -2.02 0.00 0.00 178.31 177.76 1a88 n TYR 166 N -4.40 0.32 -1.85 0.41 4.01 -1.26 -0.95 117.16 113.44 1a88 n TYR 166 Ca 0.02 -0.31 -0.10 0.00 -0.16 0.00 0.00 57.90 57.35 1a88 n TYR 166 Cb 0.24 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.23 1a88 n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a88 n GLY 167 N 0.64 0.43 0.00 2.72 0.00 -1.21 -4.78 105.19 102.99 1a88 n GLY 167 Ca 0.11 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.75 1a88 n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a88 n PHE 168 N -3.49 0.00 1.48 1.61 3.72 -1.18 -2.03 117.46 117.57 1a88 n PHE 168 Ca -0.12 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.43 1a88 n PHE 168 Cb 0.50 -0.44 0.70 0.00 -0.94 0.00 0.00 39.48 39.30 1a88 n PHE 168 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1a88 n ASN 169 N -1.44 0.28 -4.72 4.37 6.94 -1.18 -4.84 115.26 114.67 1a88 n ASN 169 Ca 0.07 -0.49 -0.41 0.00 -0.02 0.00 0.00 54.58 53.73 1a88 n ASN 169 Cb 0.25 -0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 1a88 n ASN 169 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1a88 s ARG 170 N -2.45 4.63 0.25 -3.83 1.81 -0.86 -5.01 118.95 113.49 1a88 s ARG 170 Ca 0.31 1.43 -0.31 0.00 -1.72 0.00 0.00 55.73 55.44 1a88 s ARG 170 Cb 0.20 -3.42 -0.13 0.00 -0.45 0.00 0.00 34.95 31.16 1a88 s ARG 170 CO 0.46 0.09 1.44 -1.91 -0.68 0.00 0.00 175.30 174.69 1a88 n GLU 171 N 3.31 2.14 -0.37 3.54 2.13 -1.26 -1.92 120.64 128.20 1a88 n GLU 171 Ca 0.04 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1a88 n GLU 171 Cb 0.50 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1a88 n GLU 171 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a88 n GLY 172 N 2.17 2.16 3.77 8.31 0.00 -1.26 -5.02 105.19 115.33 1a88 n GLY 172 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1a88 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 s ALA 173 N -3.29 3.45 -0.20 4.61 0.00 -0.81 -4.95 121.76 120.56 1a88 s ALA 173 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1a88 s ALA 173 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1a88 s ALA 173 CO 0.00 -0.71 1.33 0.99 0.00 0.00 0.00 175.76 177.36 1a88 s THR 174 N -1.17 4.15 -0.05 0.00 2.01 -1.26 -5.01 115.64 114.32 1a88 s THR 174 Ca 0.51 1.36 -0.13 0.00 0.31 0.00 0.00 61.69 63.74 1a88 s THR 174 Cb -0.40 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1a88 s THR 174 CO 0.53 -0.24 0.33 -0.69 -0.69 0.00 0.00 174.62 173.86 1a88 s VAL 175 N 3.93 5.18 -0.23 3.82 1.01 -1.26 -4.97 120.40 127.87 1a88 s VAL 175 Ca 0.58 0.66 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1a88 s VAL 175 Cb -0.21 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1a88 s VAL 175 CO 0.19 0.56 -0.10 -0.55 0.00 0.00 0.00 175.10 175.20 1a88 s SER 176 N -0.85 3.90 0.43 3.32 0.15 -1.26 -4.98 113.70 114.41 1a88 s SER 176 Ca 0.21 -1.14 0.12 0.00 0.70 0.00 0.00 55.95 55.85 1a88 s SER 176 Cb -0.15 -1.37 0.95 0.00 -1.71 0.00 0.00 66.02 63.73 1a88 s SER 176 CO 0.10 -0.17 1.99 -0.61 1.20 0.00 0.00 173.24 175.75 1a88 h GLN 177 N 7.88 0.12 -0.34 5.44 5.75 -2.00 -2.37 115.11 129.60 1a88 h GLN 177 Ca -0.24 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 1a88 h GLN 177 Cb 1.07 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1a88 h GLN 177 CO 0.47 0.24 -0.06 0.78 -2.65 0.00 0.00 178.83 177.61 1a88 h GLY 178 N 0.54 0.60 1.50 2.39 0.00 -1.99 0.29 103.07 106.41 1a88 h GLY 178 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1a88 h GLY 178 CO 0.02 0.36 -0.35 1.41 0.00 0.00 0.00 176.54 177.98 1a88 h LEU 179 N 0.53 0.58 0.35 3.11 3.38 -1.85 -0.23 115.31 121.18 1a88 h LEU 179 Ca 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1a88 h LEU 179 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1a88 h LEU 179 CO 0.02 0.89 -0.17 0.40 0.09 0.00 0.00 178.44 179.67 1a88 h ILE 180 N 0.47 0.67 -0.91 1.22 2.04 -1.32 -2.11 117.51 117.57 1a88 h ILE 180 Ca 0.05 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1a88 h ILE 180 Cb 0.83 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1a88 h ILE 180 CO 0.07 0.07 0.59 0.44 0.00 0.00 0.00 178.15 179.31 1a88 h ASP 181 N -0.66 0.97 -0.02 1.72 3.32 -0.80 -2.25 116.42 118.72 1a88 h ASP 181 Ca -0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1a88 h ASP 181 Cb 0.47 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1a88 h ASP 181 CO 0.08 0.66 -0.36 -0.74 -1.72 0.00 0.00 179.24 177.16 1a88 h HIS 182 N 1.13 0.59 -0.36 4.55 2.76 -1.05 -0.58 115.15 122.20 1a88 h HIS 182 Ca 0.37 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1a88 h HIS 182 Cb 0.02 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1a88 h HIS 182 CO -0.01 0.80 0.04 2.35 -1.30 0.00 0.00 177.93 179.80 1a88 h TRP 183 N 0.43 0.64 -0.60 5.26 7.01 -1.04 -2.02 115.95 125.62 1a88 h TRP 183 Ca 0.05 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 1a88 h TRP 183 Cb 0.83 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 1a88 h TRP 183 CO 0.03 0.67 0.32 2.35 -2.79 0.00 0.00 178.44 179.02 1a88 h TRP 184 N 0.43 0.84 -0.52 2.65 7.01 -1.20 -0.30 115.95 124.86 1a88 h TRP 184 Ca 0.11 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1a88 h TRP 184 Cb 0.39 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1a88 h TRP 184 CO 0.03 0.62 0.16 1.25 -2.79 0.00 0.00 178.44 177.71 1a88 h LEU 185 N 0.82 0.76 -0.06 0.65 5.85 -0.94 -0.26 115.31 122.13 1a88 h LEU 185 Ca 0.21 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a88 h LEU 185 Cb 0.07 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1a88 h LEU 185 CO -0.03 0.77 0.04 1.56 -0.34 0.00 0.00 178.44 180.44 1a88 h GLN 186 N 0.72 0.08 -0.80 1.25 4.20 -1.11 -1.72 115.11 117.72 1a88 h GLN 186 Ca 0.17 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1a88 h GLN 186 Cb 0.28 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1a88 h GLN 186 CO -0.00 0.08 0.40 0.78 -0.67 0.00 0.00 178.83 179.42 1a88 h GLY 187 N 0.05 1.23 2.00 3.46 0.00 -0.78 -3.03 103.07 106.00 1a88 h GLY 187 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1a88 h GLY 187 CO -0.00 0.57 -0.19 -0.33 0.00 0.00 0.00 176.54 176.59 1a88 h MET 188 N 1.13 0.00 0.00 4.80 2.86 -0.70 -2.22 114.93 120.80 1a88 h MET 188 Ca 0.28 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1a88 h MET 188 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1a88 h MET 188 CO -0.04 0.19 -0.44 0.52 1.06 0.00 0.00 176.91 178.20 1a88 h MET 189 N 0.00 0.00 -7.58 1.72 2.07 -1.19 -3.46 114.93 106.49 1a88 h MET 189 Ca -0.00 0.00 -0.46 0.00 -2.07 0.00 0.00 59.70 57.17 1a88 h MET 189 Cb 0.59 0.00 0.12 0.00 -1.87 0.00 0.00 31.60 30.45 1a88 h MET 189 CO 0.02 0.44 0.34 0.20 1.07 0.00 0.00 176.91 178.99 1a88 s GLY 190 N -4.37 1.72 0.06 8.32 0.00 -0.84 -4.43 107.32 107.78 1a88 s GLY 190 Ca -0.01 -1.09 -0.25 0.00 0.00 0.00 0.00 44.72 43.37 1a88 s GLY 190 CO 0.71 -0.48 0.77 0.00 0.00 0.00 0.00 173.10 174.11 1a88 s ALA 191 N -3.60 3.38 0.23 3.20 0.00 0.77 -4.95 121.76 120.79 1a88 s ALA 191 Ca 0.67 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 1a88 s ALA 191 Cb -0.07 -3.00 0.20 0.00 0.00 0.00 0.00 23.12 20.25 1a88 s ALA 191 CO 0.49 0.09 1.89 0.00 0.00 0.00 0.00 175.76 178.23 1a88 h ALA 192 N 5.49 1.09 -0.48 0.00 0.00 -1.93 -0.42 119.26 123.02 1a88 h ALA 192 Ca -0.44 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1a88 h ALA 192 Cb 1.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1a88 h ALA 192 CO 0.70 0.52 -0.20 -2.95 0.00 0.00 0.00 179.25 177.32 1a88 h ASN 193 N 1.17 0.98 -0.36 0.00 -1.07 -1.95 -0.60 115.58 113.75 1a88 h ASN 193 Ca 0.31 -0.36 -0.06 0.00 0.07 0.00 0.00 56.30 56.26 1a88 h ASN 193 Cb -0.10 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 35.86 1a88 h ASN 193 CO -0.06 1.14 -0.02 0.00 0.07 0.00 0.00 177.43 178.56 1a88 h ALA 194 N 0.93 0.49 -0.58 4.14 0.00 -1.76 -0.80 119.26 121.68 1a88 h ALA 194 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1a88 h ALA 194 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1a88 h ALA 194 CO 0.06 0.27 0.20 0.45 0.00 0.00 0.00 179.25 180.24 1a88 h HIS 195 N 0.46 0.91 0.02 0.00 3.86 -0.95 0.02 115.15 119.48 1a88 h HIS 195 Ca 0.10 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1a88 h HIS 195 Cb 0.49 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1a88 h HIS 195 CO 0.04 0.75 -0.01 -0.92 0.86 0.00 0.00 177.93 178.65 1a88 h TYR 196 N 0.81 -0.02 -0.03 2.45 5.03 -0.89 -3.20 116.97 121.11 1a88 h TYR 196 Ca 0.19 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.42 1a88 h TYR 196 Cb 0.25 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1a88 h TYR 196 CO 0.01 0.12 -0.33 0.93 -1.32 0.00 0.00 178.16 177.57 1a88 h GLU 197 N -0.16 0.06 0.00 1.82 5.08 -1.06 -2.89 114.58 117.42 1a88 h GLU 197 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1a88 h GLU 197 Cb 0.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1a88 h GLU 197 CO 0.00 0.39 -0.10 0.00 -1.00 0.00 0.00 179.01 178.30 1a88 h ILE 199 N 0.00 0.77 -0.50 0.00 2.04 -1.54 -0.15 117.51 118.12 1a88 h ILE 199 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1a88 h ILE 199 Cb 0.33 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1a88 h ILE 199 CO 0.01 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.18 1a88 h ALA 200 N 1.10 1.09 -0.46 1.87 0.00 -1.72 -1.44 119.26 119.70 1a88 h ALA 200 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1a88 h ALA 200 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a88 h ALA 200 CO -0.19 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1a88 h ALA 201 N 1.24 1.10 0.00 0.00 0.00 -1.35 -0.31 119.26 119.95 1a88 h ALA 201 Ca 0.15 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1a88 h ALA 201 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1a88 h ALA 201 CO 0.02 0.57 -1.01 0.27 0.00 0.00 0.00 179.25 179.10 1a88 h PHE 202 N 0.71 0.00 0.00 0.00 -5.15 -0.76 -3.28 116.94 108.46 1a88 h PHE 202 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 1a88 h PHE 202 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 1a88 h PHE 202 CO 0.02 0.51 -1.78 -1.13 -2.00 0.00 0.00 178.31 173.93 1a88 n SER 203 N -3.02 0.26 -0.00 -0.68 3.41 -0.57 -4.49 113.62 108.54 1a88 n SER 203 Ca -0.04 -0.20 0.04 0.00 -0.26 0.00 0.00 58.87 58.41 1a88 n SER 203 Cb 0.78 1.79 -0.05 0.00 -0.26 0.00 0.00 64.21 66.46 1a88 n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a88 n GLU 204 N -2.10 3.81 -2.67 4.33 1.02 -0.15 -1.28 120.64 123.61 1a88 n GLU 204 Ca -0.02 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 1a88 n GLU 204 Cb 0.51 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 1a88 n GLU 204 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1a88 s THR 205 N -1.91 4.76 -0.33 2.62 2.01 -1.24 -4.94 115.64 116.61 1a88 s THR 205 Ca 0.03 1.98 -0.22 0.00 0.31 0.00 0.00 61.69 63.80 1a88 s THR 205 Cb 0.07 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1a88 s THR 205 CO 0.39 0.15 0.69 -0.62 -0.69 0.00 0.00 174.62 174.54 1a88 s ASP 206 N 1.02 6.52 -0.14 3.53 -1.08 -1.26 -4.58 116.67 120.68 1a88 s ASP 206 Ca 0.53 0.39 0.16 0.00 -0.52 0.00 0.00 52.55 53.11 1a88 s ASP 206 Cb -0.22 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.59 1a88 s ASP 206 CO 0.28 -0.59 1.60 0.49 0.52 0.00 0.00 175.17 177.47 1a88 n PHE 207 N 6.10 1.56 -0.12 -5.34 3.01 0.23 -4.58 117.46 118.32 1a88 n PHE 207 Ca 0.01 -0.59 -0.04 0.00 1.01 0.00 0.00 57.45 57.83 1a88 n PHE 207 Cb 0.48 -0.31 0.04 0.00 -0.01 0.00 0.00 39.48 39.68 1a88 n PHE 207 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1a88 h THR 208 N 3.81 0.76 -0.33 4.37 2.02 -1.93 -1.22 112.91 120.40 1a88 h THR 208 Ca 0.00 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1a88 h THR 208 Cb 1.52 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1a88 h THR 208 CO 0.29 0.03 -0.09 0.44 0.37 0.00 0.00 175.52 176.57 1a88 h ASP 209 N 0.19 0.53 -0.04 4.18 5.19 -1.96 -2.10 116.42 122.40 1a88 h ASP 209 Ca 0.20 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1a88 h ASP 209 Cb 0.26 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1a88 h ASP 209 CO -0.28 0.66 0.02 0.44 -3.12 0.00 0.00 179.24 176.96 1a88 h ASP 210 N 0.51 0.06 -0.87 6.45 3.32 -1.56 -2.87 116.42 121.46 1a88 h ASP 210 Ca 0.10 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1a88 h ASP 210 Cb 0.47 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1a88 h ASP 210 CO 0.03 0.23 0.57 -0.07 -1.72 0.00 0.00 179.24 178.28 1a88 h LEU 211 N -0.11 0.96 -1.69 1.55 3.38 -1.22 -1.70 115.31 116.48 1a88 h LEU 211 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a88 h LEU 211 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1a88 h LEU 211 CO -0.00 0.68 0.09 0.11 0.09 0.00 0.00 178.44 179.41 1a88 h LYS 212 N 1.12 0.29 -0.01 1.13 1.57 -1.20 -2.21 116.57 117.26 1a88 h LYS 212 Ca 0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1a88 h LYS 212 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1a88 h LYS 212 CO -0.09 0.24 -0.05 0.54 -0.57 0.00 0.00 179.45 179.52 1a88 n ARG 213 N -4.46 1.29 -2.83 3.15 1.74 -0.65 -4.88 116.66 110.03 1a88 n ARG 213 Ca 0.00 -0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 56.05 1a88 n ARG 213 Cb 0.11 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1a88 n ARG 213 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a88 s ILE 214 N -2.13 4.89 -0.55 0.55 1.01 -0.83 -4.85 121.20 119.28 1a88 s ILE 214 Ca 0.37 1.79 0.11 0.00 0.00 0.00 0.00 60.65 62.91 1a88 s ILE 214 Cb 0.21 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.36 1a88 s ILE 214 CO 0.39 0.10 0.48 -0.90 0.00 0.00 0.00 174.94 175.01 1a88 n ASP 215 N 4.56 0.56 -4.89 3.58 5.68 -1.26 -4.26 116.55 120.53 1a88 n ASP 215 Ca 0.05 -0.78 -0.29 0.00 -0.50 0.00 0.00 54.79 53.26 1a88 n ASP 215 Cb 0.50 0.98 0.05 0.00 -1.14 0.00 0.00 41.12 41.50 1a88 n ASP 215 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1a88 s VAL 216 N -2.03 3.34 0.31 2.12 -7.23 -1.26 -4.73 120.40 110.93 1a88 s VAL 216 Ca 0.04 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.23 1a88 s VAL 216 Cb 0.08 -3.41 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 1a88 s VAL 216 CO 0.45 -0.51 1.35 -2.84 -0.31 0.00 0.00 175.10 173.24 1a88 s PRO 217 N -5.29 4.32 -0.05 4.82 0.02 -1.26 -4.53 135.00 133.02 1a88 s PRO 217 Ca 0.58 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1a88 s PRO 217 Cb -0.11 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.35 1a88 s PRO 217 CO 0.50 -0.27 -0.09 0.08 -0.33 0.00 0.00 177.00 176.89 1a88 s VAL 218 N -0.80 0.89 -0.17 3.83 1.01 -0.24 -2.13 120.40 122.78 1a88 s VAL 218 Ca 0.52 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1a88 s VAL 218 Cb -0.40 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1a88 s VAL 218 CO 0.50 0.30 0.31 -0.22 0.00 0.00 0.00 175.10 175.99 1a88 s LEU 219 N 0.68 4.21 -0.32 3.92 2.96 -0.71 -0.82 118.68 128.60 1a88 s LEU 219 Ca -0.12 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1a88 s LEU 219 Cb -0.14 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.21 1a88 s LEU 219 CO 0.02 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.47 1a88 s VAL 220 N 0.69 3.24 -0.03 1.68 1.01 0.28 -0.50 120.40 126.77 1a88 s VAL 220 Ca 0.16 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.84 1a88 s VAL 220 Cb -0.13 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1a88 s VAL 220 CO 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 175.10 174.72 1a88 s ALA 221 N 1.29 2.19 -0.11 5.51 0.00 -0.00 -0.33 121.76 130.30 1a88 s ALA 221 Ca -0.03 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 1a88 s ALA 221 Cb -0.20 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.38 1a88 s ALA 221 CO -0.00 0.50 0.64 -1.58 0.00 0.00 0.00 175.76 175.32 1a88 s HIS 222 N -0.50 -0.64 0.20 0.00 2.46 -0.95 -0.63 115.29 115.24 1a88 s HIS 222 Ca 0.07 1.25 -0.09 0.00 0.47 0.00 0.00 55.06 56.76 1a88 s HIS 222 Cb -0.11 0.33 -0.07 0.00 -0.13 0.00 0.00 32.58 32.60 1a88 s HIS 222 CO 0.00 -0.51 0.51 0.20 -2.47 0.00 0.00 174.74 172.47 1a88 s GLY 223 N -0.72 2.28 0.17 1.59 0.00 -1.26 -1.15 107.32 108.23 1a88 s GLY 223 Ca -0.08 -0.33 0.25 0.00 0.00 0.00 0.00 44.72 44.55 1a88 s GLY 223 CO 0.07 -0.20 1.46 -0.91 0.00 0.00 0.00 173.10 173.52 1a88 h THR 224 N 2.08 0.00 -0.95 0.90 1.35 -0.95 -3.23 112.91 112.11 1a88 h THR 224 Ca -0.47 -0.55 -0.62 0.00 -0.55 0.00 0.00 66.41 64.23 1a88 h THR 224 Cb 1.17 1.28 -0.30 0.00 -1.73 0.00 0.00 68.15 68.57 1a88 h THR 224 CO 0.70 0.00 0.66 -0.67 -0.25 0.00 0.00 175.52 175.96 1a88 n ASP 225 N -2.25 6.45 -4.62 5.36 2.03 -0.95 -4.75 116.55 117.82 1a88 n ASP 225 Ca 0.04 -3.75 -0.43 0.00 0.52 0.00 0.00 54.79 51.17 1a88 n ASP 225 Cb 0.45 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 1a88 n ASP 225 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a88 s ASP 226 N -1.89 6.53 0.00 1.67 -1.08 -1.20 -4.40 116.67 116.29 1a88 s ASP 226 Ca 0.61 1.12 0.29 0.00 -0.52 0.00 0.00 52.55 54.05 1a88 s ASP 226 Cb 0.49 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.65 1a88 s ASP 226 CO 0.02 -1.22 1.85 0.00 0.52 0.00 0.00 175.17 176.34 1a88 n GLN 227 N 7.61 1.12 -0.07 4.34 6.02 -1.26 -4.14 117.38 130.99 1a88 n GLN 227 Ca 0.16 -0.48 -0.15 0.00 -0.01 0.00 0.00 57.00 56.51 1a88 n GLN 227 Cb 0.47 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 1a88 n GLN 227 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a88 n VAL 228 N -0.52 0.79 -3.90 5.09 0.31 -1.26 -4.87 118.33 113.97 1a88 n VAL 228 Ca 0.18 -0.21 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 1a88 n VAL 228 Cb 0.28 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.45 1a88 n VAL 228 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a88 s VAL 229 N -2.27 2.84 -0.08 2.52 1.01 -1.26 -5.08 120.40 118.08 1a88 s VAL 229 Ca -0.20 -2.86 -0.39 0.00 0.00 0.00 0.00 61.98 58.53 1a88 s VAL 229 Cb 0.08 -2.96 -0.18 0.00 0.00 0.00 0.00 36.38 33.32 1a88 s VAL 229 CO 0.26 -0.76 1.41 -2.65 0.00 0.00 0.00 175.10 173.36 1a88 n PRO 230 N 3.64 0.78 -0.02 2.72 -0.02 -1.26 -4.76 135.00 136.08 1a88 n PRO 230 Ca 0.04 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1a88 n PRO 230 Cb 0.37 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1a88 n PRO 230 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1a88 h TYR 231 N 4.91 -0.10 0.00 6.00 3.20 -1.82 -3.16 116.97 125.99 1a88 h TYR 231 Ca -0.48 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1a88 h TYR 231 Cb 1.36 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 1a88 h TYR 231 CO 0.64 -0.08 -0.22 0.00 -1.64 0.00 0.00 178.16 176.86 1a88 h ALA 232 N 1.15 1.60 -0.04 1.82 0.00 -1.93 -1.53 119.26 120.33 1a88 h ALA 232 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a88 h ALA 232 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a88 h ALA 232 CO -0.17 0.28 0.00 -3.47 0.00 0.00 0.00 179.25 175.89 1a88 n ASP 233 N -4.23 1.56 0.00 0.00 2.03 -1.21 -4.56 116.55 110.14 1a88 n ASP 233 Ca -0.02 -1.54 0.00 0.00 0.52 0.00 0.00 54.79 53.75 1a88 n ASP 233 Cb 0.28 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1a88 n ASP 233 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a88 n ALA 234 N 0.22 1.57 -0.14 -1.67 0.00 -0.62 -4.40 120.51 115.47 1a88 n ALA 234 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1a88 n ALA 234 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 1a88 n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a88 h ALA 235 N 0.43 -0.69 -0.91 0.00 0.00 -1.67 -0.57 119.26 115.85 1a88 h ALA 235 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1a88 h ALA 235 Cb 0.00 1.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1a88 h ALA 235 CO 0.00 -0.93 0.56 -1.35 0.00 0.00 0.00 179.25 177.53 1a88 h PRO 236 N -0.30 0.92 -0.28 0.00 0.11 -1.83 -1.20 132.00 129.42 1a88 h PRO 236 Ca 0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1a88 h PRO 236 Cb 0.49 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1a88 h PRO 236 CO -0.54 0.61 0.00 0.87 -0.21 0.00 0.00 178.00 178.73 1a88 h LYS 237 N 0.95 0.50 -0.59 1.05 1.57 -1.59 -2.16 116.57 116.30 1a88 h LYS 237 Ca 0.43 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a88 h LYS 237 Cb 0.33 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1a88 h LYS 237 CO -0.23 0.65 0.35 0.77 -0.57 0.00 0.00 179.45 180.43 1a88 h SER 238 N 0.29 0.71 -0.93 0.86 0.02 -0.72 -2.50 113.55 111.27 1a88 h SER 238 Ca 0.08 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1a88 h SER 238 Cb 0.43 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1a88 h SER 238 CO 0.01 0.56 0.61 0.00 -1.14 0.00 0.00 176.83 176.87 1a88 h ALA 239 N 1.18 1.23 -0.08 3.77 0.00 -1.13 -1.87 119.26 122.36 1a88 h ALA 239 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1a88 h ALA 239 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1a88 h ALA 239 CO -0.04 0.50 -0.19 1.49 0.00 0.00 0.00 179.25 181.01 1a88 h GLU 240 N 1.19 0.13 0.00 0.00 4.81 -1.14 -2.70 114.58 116.86 1a88 h GLU 240 Ca 0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1a88 h GLU 240 Cb -0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1a88 h GLU 240 CO -0.11 0.32 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.82 1a88 h LEU 241 N 0.12 0.00 -9.88 1.64 3.38 -0.93 -3.46 115.31 106.18 1a88 h LEU 241 Ca 0.02 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 1a88 h LEU 241 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1a88 h LEU 241 CO 0.03 0.03 0.05 -0.76 0.09 0.00 0.00 178.44 177.87 1a88 s LEU 242 N -5.24 4.29 0.03 1.67 1.43 -0.80 -4.23 118.68 115.84 1a88 s LEU 242 Ca 0.04 1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 54.22 1a88 s LEU 242 Cb 0.10 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.58 1a88 s LEU 242 CO 0.73 0.01 1.31 0.00 0.23 0.00 0.00 176.35 178.64 1a88 h ALA 243 N 3.25 0.20 -2.37 4.21 0.00 -1.83 -3.37 119.26 119.35 1a88 h ALA 243 Ca -0.48 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 1a88 h ALA 243 Cb 1.19 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 1a88 h ALA 243 CO 0.66 0.12 -0.63 -1.71 0.00 0.00 0.00 179.25 177.68 1a88 n ASN 244 N -4.53 3.29 -4.58 0.00 5.15 -1.26 -5.08 115.26 108.26 1a88 n ASN 244 Ca -0.06 -3.33 -0.32 0.00 -0.60 0.00 0.00 54.58 50.26 1a88 n ASN 244 Cb 0.39 -0.68 -0.11 0.00 -0.53 0.00 0.00 39.78 38.85 1a88 n ASN 244 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a88 s ALA 245 N -2.14 2.96 -0.17 5.20 0.00 -1.26 -1.07 121.76 125.28 1a88 s ALA 245 Ca 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1a88 s ALA 245 Cb 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1a88 s ALA 245 CO -0.05 0.60 -0.09 0.99 0.00 0.00 0.00 175.76 177.21 1a88 s THR 246 N -0.93 3.22 -0.24 0.00 2.01 0.00 -4.96 115.64 114.74 1a88 s THR 246 Ca 0.16 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 1a88 s THR 246 Cb -0.11 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1a88 s THR 246 CO 0.06 0.48 0.08 -0.22 -0.69 0.00 0.00 174.62 174.33 1a88 s LEU 247 N 0.84 3.52 -0.13 4.42 2.96 -1.26 -0.56 118.68 128.47 1a88 s LEU 247 Ca -0.03 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1a88 s LEU 247 Cb -0.15 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1a88 s LEU 247 CO 0.01 -0.01 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.31 1a88 s LYS 248 N 1.49 3.18 -0.17 1.98 -0.14 0.55 -4.98 119.74 121.65 1a88 s LYS 248 Ca 0.06 -0.78 -0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1a88 s LYS 248 Cb -0.15 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1a88 s LYS 248 CO 0.04 0.09 -0.02 -1.12 -0.76 0.00 0.00 175.35 173.58 1a88 s SER 249 N 0.61 4.88 -0.33 2.83 0.01 -1.26 -2.23 113.70 118.21 1a88 s SER 249 Ca -0.10 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1a88 s SER 249 Cb -0.16 -1.81 0.05 0.00 0.21 0.00 0.00 66.02 64.30 1a88 s SER 249 CO 0.03 0.14 0.08 -0.31 0.41 0.00 0.00 173.24 173.59 1a88 s TYR 250 N 0.57 3.27 0.14 2.43 2.02 -0.30 -4.98 117.35 120.51 1a88 s TYR 250 Ca -0.02 -1.59 -0.33 0.00 -0.37 0.00 0.00 57.07 54.77 1a88 s TYR 250 Cb -0.14 -2.29 -0.13 0.00 -0.40 0.00 0.00 41.96 39.01 1a88 s TYR 250 CO 0.02 -0.76 1.70 0.39 -1.57 0.00 0.00 175.55 175.33 1a88 n GLU 251 N 4.75 2.45 -0.94 -0.62 1.02 -1.26 -0.65 120.64 125.39 1a88 n GLU 251 Ca -0.12 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1a88 n GLU 251 Cb 0.44 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1a88 n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a88 n GLY 252 N 3.82 0.74 3.90 0.62 0.00 -1.26 -4.82 105.19 108.19 1a88 n GLY 252 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1a88 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a88 s LEU 253 N 0.00 3.89 0.00 0.99 1.43 -1.17 -4.58 118.68 119.24 1a88 s LEU 253 Ca 0.00 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1a88 s LEU 253 Cb 0.00 -3.71 0.09 0.00 0.03 0.00 0.00 46.19 42.60 1a88 s LEU 253 CO 0.00 -0.36 0.65 -0.81 0.23 0.00 0.00 176.35 176.07 1a88 n PRO 254 N -1.48 0.36 -0.27 1.29 -0.04 -1.26 -2.23 135.00 131.37 1a88 n PRO 254 Ca -0.01 -2.06 -0.04 0.00 -0.04 0.00 0.00 63.50 61.35 1a88 n PRO 254 Cb 0.55 -0.35 0.10 0.00 -0.04 0.00 0.00 33.50 33.76 1a88 n PRO 254 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a88 h HIS 255 N -0.29 1.15 -1.47 0.54 -0.00 -1.78 -2.97 115.15 110.33 1a88 h HIS 255 Ca -0.22 -0.07 -0.72 0.00 -0.00 0.00 0.00 60.37 59.37 1a88 h HIS 255 Cb 0.88 -0.35 -0.29 0.00 -0.00 0.00 0.00 27.41 27.65 1a88 h HIS 255 CO 0.00 0.85 0.91 0.41 -0.00 0.00 0.00 177.93 180.10 1a88 n GLY 256 N -0.97 5.72 0.30 5.26 0.00 -0.12 -4.69 105.19 110.69 1a88 n GLY 256 Ca 0.07 -2.40 0.19 0.00 0.00 0.00 0.00 46.02 43.87 1a88 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a88 h MET 257 N 2.48 0.00 -0.19 1.61 -0.00 -1.82 -1.13 114.93 115.89 1a88 h MET 257 Ca 0.58 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 60.32 1a88 h MET 257 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 1a88 h MET 257 CO 1.50 0.03 0.13 -0.07 -0.00 0.00 0.00 176.91 178.49 1a88 h LEU 258 N 0.00 0.07 0.00 -0.10 3.38 -1.87 0.03 115.31 116.81 1a88 h LEU 258 Ca -0.00 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1a88 h LEU 258 Cb 0.28 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1a88 h LEU 258 CO 0.00 0.05 -2.15 -1.20 0.09 0.00 0.00 178.44 175.23 1a88 n SER 259 N -4.50 0.14 0.00 -0.43 7.64 -0.46 -3.87 113.62 112.15 1a88 n SER 259 Ca 0.01 0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.86 1a88 n SER 259 Cb 0.21 1.09 -0.14 0.00 -1.01 0.00 0.00 64.21 64.37 1a88 n SER 259 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1a88 h THR 260 N 0.00 1.05 -1.28 0.44 1.35 -1.37 -3.40 112.91 109.70 1a88 h THR 260 Ca -0.36 -2.85 -0.46 0.00 -0.55 0.00 0.00 66.41 62.19 1a88 h THR 260 Cb 1.86 2.54 -0.41 0.00 -1.73 0.00 0.00 68.15 70.42 1a88 h THR 260 CO 0.03 0.64 -1.01 1.41 -0.25 0.00 0.00 175.52 176.33 1a88 n HIS 261 N -3.16 2.03 0.25 4.73 8.25 -0.01 -4.89 115.22 122.40 1a88 n HIS 261 Ca -0.14 -3.00 0.11 0.00 -0.26 0.00 0.00 57.72 54.43 1a88 n HIS 261 Cb 1.03 -0.28 0.63 0.00 1.12 0.00 0.00 29.99 32.49 1a88 n HIS 261 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1a88 h PRO 262 N 2.85 0.00 0.00 -0.41 0.13 -1.67 -1.73 132.00 131.17 1a88 h PRO 262 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1a88 h PRO 262 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a88 h PRO 262 CO 0.64 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 179.51 1a88 h GLU 263 N 0.00 0.00 0.06 0.86 5.08 -1.92 0.29 114.58 118.95 1a88 h GLU 263 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1a88 h GLU 263 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1a88 h GLU 263 CO 0.02 0.00 -1.28 0.28 -1.00 0.00 0.00 179.01 177.03 1a88 h VAL 264 N 0.00 1.00 0.14 3.13 2.07 -1.71 -3.42 116.25 117.46 1a88 h VAL 264 Ca 0.00 -2.29 -0.23 0.00 0.82 0.00 0.00 66.70 65.00 1a88 h VAL 264 Cb 0.50 2.54 0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1a88 h VAL 264 CO 0.00 0.55 -0.97 -0.07 0.02 0.00 0.00 177.57 177.11 1a88 h LEU 265 N -0.62 0.60 -0.39 2.57 -0.00 -1.37 -3.38 115.31 112.72 1a88 h LEU 265 Ca -0.31 -0.90 0.06 0.00 -0.00 0.00 0.00 57.88 56.73 1a88 h LEU 265 Cb 1.53 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 41.94 1a88 h LEU 265 CO -0.06 1.46 0.05 0.78 -0.00 0.00 0.00 178.44 180.67 1a88 h ASN 266 N -0.15 -0.05 -0.48 -0.43 2.35 -1.18 -0.79 115.58 114.85 1a88 h ASN 266 Ca -0.16 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1a88 h ASN 266 Cb 1.73 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 40.19 1a88 h ASN 266 CO 0.18 0.01 0.32 -0.65 -1.65 0.00 0.00 177.43 175.65 1a88 h PRO 267 N 0.17 0.36 -0.04 0.81 0.11 -1.79 -0.85 132.00 130.77 1a88 h PRO 267 Ca 0.19 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 1a88 h PRO 267 Cb 0.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1a88 h PRO 267 CO -0.27 0.24 -0.88 -0.44 -0.21 0.00 0.00 178.00 176.44 1a88 h ASP 268 N 0.37 0.61 -0.25 -2.05 3.32 -1.47 -1.67 116.42 115.28 1a88 h ASP 268 Ca 0.21 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1a88 h ASP 268 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1a88 h ASP 268 CO -0.05 1.24 0.07 -0.07 -1.72 0.00 0.00 179.24 178.71 1a88 h LEU 269 N 0.30 0.37 -0.51 1.55 3.38 -0.60 -2.19 115.31 117.60 1a88 h LEU 269 Ca -0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1a88 h LEU 269 Cb 1.50 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1a88 h LEU 269 CO 0.16 0.49 0.18 0.25 0.09 0.00 0.00 178.44 179.60 1a88 h LEU 270 N 0.23 0.73 -0.33 1.67 5.85 -1.10 -1.44 115.31 120.91 1a88 h LEU 270 Ca 0.08 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1a88 h LEU 270 Cb 0.26 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1a88 h LEU 270 CO -0.00 0.72 -0.12 0.00 -0.34 0.00 0.00 178.44 178.70 1a88 h ALA 271 N 1.03 0.16 -0.38 1.25 0.00 -1.30 0.32 119.26 120.35 1a88 h ALA 271 Ca 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1a88 h ALA 271 Cb 0.24 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a88 h ALA 271 CO -0.01 -0.50 0.18 0.35 0.00 0.00 0.00 179.25 179.27 1a88 h PHE 272 N -0.06 0.55 -0.64 0.00 3.57 -1.17 -0.42 116.94 118.78 1a88 h PHE 272 Ca 0.17 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1a88 h PHE 272 Cb 0.31 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1a88 h PHE 272 CO -0.34 0.47 0.42 0.28 -2.23 0.00 0.00 178.31 176.91 1a88 h VAL 273 N 0.47 1.16 0.00 1.41 2.07 -0.49 -2.26 116.25 118.61 1a88 h VAL 273 Ca 0.13 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1a88 h VAL 273 Cb 0.13 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1a88 h VAL 273 CO -0.02 0.16 0.00 0.11 0.02 0.00 0.00 177.57 177.84 1a88 h LYS 274 N 0.86 0.00 0.00 1.57 1.57 -0.57 -3.52 116.57 116.48 1a88 h LYS 274 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1a88 h LYS 274 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1a88 h LYS 274 CO -0.05 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.70