#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 0.09 -0.00 2.61 -4.23 -1.26 -1.01 115.64 111.84 1a88 s THR 2 Ca 0.00 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1a88 s THR 2 Cb 0.00 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1a88 s THR 2 CO 0.00 -0.42 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.83 1a88 s VAL 3 N -1.33 1.14 -0.19 2.29 1.01 -0.58 -4.93 120.40 117.82 1a88 s VAL 3 Ca -0.14 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1a88 s VAL 3 Cb -0.08 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1a88 s VAL 3 CO 0.00 0.26 0.19 -0.89 0.00 0.00 0.00 175.10 174.67 1a88 s THR 4 N -0.43 5.37 0.90 3.92 2.01 -1.26 -0.32 115.64 125.83 1a88 s THR 4 Ca 0.05 0.32 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1a88 s THR 4 Cb -0.06 -3.53 0.19 0.00 0.01 0.00 0.00 72.50 69.11 1a88 s THR 4 CO -0.00 0.42 1.24 0.42 -0.69 0.00 0.00 174.62 176.00 1a88 s THR 5 N 0.43 2.02 -1.10 -0.82 -4.23 0.03 -4.91 115.64 107.07 1a88 s THR 5 Ca 0.11 -0.18 0.18 0.00 -1.18 0.00 0.00 61.69 60.62 1a88 s THR 5 Cb -0.12 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.07 1a88 s THR 5 CO 0.00 0.00 1.57 -1.54 -0.54 0.00 0.00 174.62 174.11 1a88 n SER 6 N -3.52 0.00 -1.19 3.99 3.41 -1.26 -1.21 113.62 113.84 1a88 n SER 6 Ca 0.16 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1a88 n SER 6 Cb 0.60 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 64.38 1a88 n SER 6 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a88 n ASP 7 N -1.45 3.78 0.00 4.04 5.75 -1.26 -4.97 116.55 122.44 1a88 n ASP 7 Ca 0.05 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1a88 n ASP 7 Cb 0.19 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.29 0.55 3.70 6.12 0.00 -0.35 -5.03 105.19 111.47 1a88 n GLY 8 Ca 0.21 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 4.55 0.06 2.61 2.01 -1.26 -4.73 115.64 116.88 1a88 s THR 9 Ca 0.00 1.83 -0.26 0.00 0.31 0.00 0.00 61.69 63.57 1a88 s THR 9 Cb 0.00 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1a88 s THR 9 CO 0.00 0.08 0.81 0.20 -0.69 0.00 0.00 174.62 175.02 1a88 s ASN 10 N 1.14 7.28 -0.13 3.53 0.02 -1.26 -0.79 114.94 124.73 1a88 s ASN 10 Ca 0.53 1.53 0.01 0.00 -1.02 0.00 0.00 52.86 53.92 1a88 s ASN 10 Cb -0.23 -2.50 -0.00 0.00 0.02 0.00 0.00 41.25 38.54 1a88 s ASN 10 CO 0.24 0.00 -0.17 -0.63 0.02 0.00 0.00 177.10 176.57 1a88 s ILE 11 N -0.08 2.59 0.33 0.60 -1.09 0.56 -1.68 121.20 122.43 1a88 s ILE 11 Ca 0.40 -0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 57.83 1a88 s ILE 11 Cb -0.21 -2.07 -0.09 0.00 -1.58 0.00 0.00 42.46 38.51 1a88 s ILE 11 CO 0.25 0.53 0.80 0.12 -1.23 0.00 0.00 174.94 175.41 1a88 s PHE 12 N 0.58 3.43 0.12 3.97 5.36 -1.26 -1.52 117.98 128.65 1a88 s PHE 12 Ca -0.10 1.38 -0.13 0.00 -0.96 0.00 0.00 56.93 57.12 1a88 s PHE 12 Cb -0.16 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1a88 s PHE 12 CO 0.03 0.09 0.32 1.52 -1.46 0.00 0.00 175.22 175.73 1a88 s TYR 13 N -1.93 -0.01 0.06 10.12 1.13 -0.18 -1.06 117.35 125.48 1a88 s TYR 13 Ca 0.54 -0.36 0.07 0.00 -1.41 0.00 0.00 57.07 55.91 1a88 s TYR 13 Cb -0.12 0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1a88 s TYR 13 CO 0.17 -0.66 -0.14 0.15 -2.51 0.00 0.00 175.55 172.56 1a88 s LYS 14 N -3.85 2.11 -0.29 -3.49 1.02 0.13 -1.19 119.74 114.18 1a88 s LYS 14 Ca 0.06 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 1a88 s LYS 14 Cb 0.03 -2.26 0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1a88 s LYS 14 CO -0.10 0.53 0.26 0.34 -0.92 0.00 0.00 175.35 175.46 1a88 s ASP 15 N -1.75 2.06 0.23 2.83 -1.08 -1.26 -1.38 116.67 116.32 1a88 s ASP 15 Ca 0.17 -0.85 0.11 0.00 -0.52 0.00 0.00 52.55 51.46 1a88 s ASP 15 Cb -0.11 0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 41.63 1a88 s ASP 15 CO 0.09 -0.40 -0.20 0.26 0.52 0.00 0.00 175.17 175.44 1a88 s TRP 16 N 2.31 2.13 0.00 -5.34 0.51 0.14 -4.98 118.94 113.70 1a88 s TRP 16 Ca 0.09 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.68 1a88 s TRP 16 Cb -0.14 -0.98 0.00 0.00 -0.81 0.00 0.00 33.47 31.54 1a88 s TRP 16 CO -0.33 0.55 0.00 0.41 -0.51 0.00 0.00 176.95 177.07 1a88 n GLY 17 N -0.25 0.84 3.67 0.98 0.00 -1.26 -0.86 105.19 108.31 1a88 n GLY 17 Ca -0.08 -2.12 -0.44 0.00 0.00 0.00 0.00 46.02 43.38 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 0.34 1.98 0.27 1.61 -0.02 -1.26 -4.89 135.00 133.02 1a88 n PRO 18 Ca 0.00 0.70 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1a88 n PRO 18 Cb 0.00 -2.28 0.77 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.14 0.00 -0.47 -0.52 2.47 -1.98 -1.93 114.38 115.10 1a88 h ARG 19 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1a88 h ARG 19 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1a88 h ARG 19 CO 0.68 0.09 0.00 -0.40 0.56 0.00 0.00 179.97 180.90 1a88 n ASP 20 N -3.53 4.10 -4.81 7.04 5.75 -1.26 -4.98 116.55 118.86 1a88 n ASP 20 Ca -0.02 -2.49 -0.34 0.00 -0.01 0.00 0.00 54.79 51.94 1a88 n ASP 20 Cb 0.23 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.20 2.45 0.22 6.12 0.00 -0.73 -5.00 107.32 109.19 1a88 s GLY 21 Ca 0.42 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 45.35 1a88 s GLY 21 CO 0.18 0.82 1.40 -2.27 0.00 0.00 0.00 173.10 173.22 1a88 s LEU 22 N -3.38 4.40 -0.22 0.66 0.20 -1.26 -4.43 118.68 114.65 1a88 s LEU 22 Ca 0.65 2.56 -0.26 0.00 0.69 0.00 0.00 54.13 57.77 1a88 s LEU 22 Cb -0.13 -3.62 -0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1a88 s LEU 22 CO 0.17 -0.64 0.91 -2.16 -0.29 0.00 0.00 176.35 174.34 1a88 s PRO 23 N -0.18 4.24 -0.29 0.98 0.05 -1.26 -2.29 135.00 136.24 1a88 s PRO 23 Ca 0.59 1.12 -0.06 0.00 0.05 0.00 0.00 61.00 62.70 1a88 s PRO 23 Cb -0.40 -3.63 0.01 0.00 0.05 0.00 0.00 34.50 30.54 1a88 s PRO 23 CO 0.41 -0.51 0.06 0.08 0.05 0.00 0.00 177.00 177.08 1a88 s VAL 24 N 2.81 3.76 -0.17 -0.36 1.01 -0.51 -1.26 120.40 125.68 1a88 s VAL 24 Ca 0.39 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1a88 s VAL 24 Cb -0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1a88 s VAL 24 CO 0.08 0.09 -0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1a88 s VAL 25 N 1.46 3.76 -0.10 2.92 1.01 0.54 -1.23 120.40 128.77 1a88 s VAL 25 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1a88 s VAL 25 Cb -0.17 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1a88 s VAL 25 CO 0.01 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.14 1a88 s PHE 26 N 0.60 2.88 -0.28 5.22 0.08 -0.15 -0.29 117.98 126.04 1a88 s PHE 26 Ca -0.03 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.79 1a88 s PHE 26 Cb -0.14 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.59 1a88 s PHE 26 CO 0.02 0.07 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.15 1a88 s HIS 27 N -0.21 3.40 0.92 0.36 3.76 0.17 -3.93 115.29 119.76 1a88 s HIS 27 Ca 0.02 -2.48 -0.12 0.00 -0.15 0.00 0.00 55.06 52.33 1a88 s HIS 27 Cb -0.13 -2.20 0.14 0.00 1.11 0.00 0.00 32.58 31.50 1a88 s HIS 27 CO 0.03 -0.89 1.10 -3.38 -0.85 0.00 0.00 174.74 170.74 1a88 s HIS 28 N 1.06 2.35 0.49 1.40 -3.43 -1.26 -1.84 115.29 114.07 1a88 s HIS 28 Ca -0.04 1.07 0.02 0.00 -0.80 0.00 0.00 55.06 55.30 1a88 s HIS 28 Cb -0.20 -3.24 0.10 0.00 -1.43 0.00 0.00 32.58 27.81 1a88 s HIS 28 CO -0.06 -2.48 0.68 0.41 -2.00 0.00 0.00 174.74 171.30 1a88 n GLY 29 N -1.47 0.98 3.79 -1.38 0.00 -1.22 -2.97 105.19 102.92 1a88 n GLY 29 Ca 0.06 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.00 3.87 -0.87 1.61 -0.00 -1.26 -1.27 118.94 119.02 1a88 s TRP 30 Ca 0.46 1.55 0.01 0.00 -0.00 0.00 0.00 56.10 58.12 1a88 s TRP 30 Cb -0.03 -2.71 0.33 0.00 -0.00 0.00 0.00 33.47 31.07 1a88 s TRP 30 CO 0.30 0.52 1.63 -0.35 -0.00 0.00 0.00 176.95 179.05 1a88 n PRO 31 N 1.54 4.44 0.00 5.86 -0.04 -1.26 -4.97 135.00 140.57 1a88 n PRO 31 Ca -0.06 -4.53 0.00 0.00 -0.04 0.00 0.00 63.50 58.87 1a88 n PRO 31 Cb 0.49 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 -0.20 0.00 -3.92 1.53 4.77 -0.39 -3.69 117.00 115.10 1a88 n LEU 32 Ca 0.44 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1a88 n LEU 32 Cb 0.31 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1a88 n LEU 32 CO 0.47 0.00 0.37 -0.94 -1.33 0.00 0.00 177.39 175.95 1a88 s SER 33 N -0.89 0.22 0.57 -1.43 1.04 -1.26 -4.13 113.70 107.82 1a88 s SER 33 Ca 0.00 -1.15 0.26 0.00 0.48 0.00 0.00 55.95 55.54 1a88 s SER 33 Cb 0.00 0.75 1.56 0.00 0.10 0.00 0.00 66.02 68.43 1a88 s SER 33 CO 0.00 -1.47 2.09 0.00 0.98 0.00 0.00 173.24 174.85 1a88 h ALA 34 N 2.06 1.96 0.00 5.32 0.00 -1.90 -1.86 119.26 124.83 1a88 h ALA 34 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a88 h ALA 34 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a88 h ALA 34 CO 0.37 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1a88 n ASP 35 N -4.02 0.41 0.17 0.00 9.92 -1.26 -2.30 116.55 119.46 1a88 n ASP 35 Ca 0.02 0.60 0.13 0.00 -0.53 0.00 0.00 54.79 55.01 1a88 n ASP 35 Cb 0.34 -0.69 0.58 0.00 -0.64 0.00 0.00 41.12 40.71 1a88 n ASP 35 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1a88 h ASP 36 N 0.00 0.00 -0.63 -2.24 3.58 -1.75 -3.10 116.42 112.28 1a88 h ASP 36 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a88 h ASP 36 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1a88 h ASP 36 CO 0.00 0.00 0.00 0.79 -2.88 0.00 0.00 179.24 177.15 1a88 n TRP 37 N -2.38 0.84 -0.24 0.28 7.02 -0.98 -4.72 117.44 117.28 1a88 n TRP 37 Ca 0.01 -0.42 -0.01 0.00 -1.02 0.00 0.00 57.50 56.06 1a88 n TRP 37 Cb 0.17 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.12 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 4.15 -0.84 0.43 -0.99 3.32 -1.76 0.25 116.42 120.98 1a88 h ASP 38 Ca 0.00 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1a88 h ASP 38 Cb 0.94 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.97 1a88 h ASP 38 CO 0.00 -0.26 -0.38 -1.13 -1.72 0.00 0.00 179.24 175.75 1a88 h ASN 39 N -0.05 -1.02 -0.49 6.45 -0.73 -1.89 -1.96 115.58 115.89 1a88 h ASN 39 Ca 0.31 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.53 1a88 h ASN 39 Cb 0.54 0.33 -0.03 0.00 0.27 0.00 0.00 38.32 39.43 1a88 h ASN 39 CO -0.73 -0.54 0.21 1.56 -0.37 0.00 0.00 177.43 177.56 1a88 h GLN 40 N -0.82 0.76 -0.42 6.67 7.50 -1.73 -0.54 115.11 126.53 1a88 h GLN 40 Ca -0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 58.99 1a88 h GLN 40 Cb 0.72 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1a88 h GLN 40 CO -0.03 0.63 0.22 0.52 -1.50 0.00 0.00 178.83 178.67 1a88 h MET 41 N 0.76 0.60 -0.30 1.46 2.86 -0.46 -0.83 114.93 119.01 1a88 h MET 41 Ca 0.18 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1a88 h MET 41 Cb 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1a88 h MET 41 CO -0.02 0.49 -0.26 -0.07 1.06 0.00 0.00 176.91 178.12 1a88 h LEU 42 N 0.55 0.61 0.36 1.22 3.38 -1.05 -0.35 115.31 120.01 1a88 h LEU 42 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a88 h LEU 42 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1a88 h LEU 42 CO -0.02 0.85 -0.17 0.15 0.09 0.00 0.00 178.44 179.33 1a88 h PHE 43 N 0.52 -0.44 -0.20 1.13 3.57 -0.92 -1.07 116.94 119.53 1a88 h PHE 43 Ca 0.07 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1a88 h PHE 43 Cb 0.72 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1a88 h PHE 43 CO 0.03 -0.25 -0.29 0.74 -2.23 0.00 0.00 178.31 176.31 1a88 h PHE 44 N -0.51 0.44 -0.64 0.41 0.04 -1.10 -2.35 116.94 113.23 1a88 h PHE 44 Ca -0.05 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 1a88 h PHE 44 Cb 0.39 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1a88 h PHE 44 CO -0.04 0.64 0.27 -0.07 -0.60 0.00 0.00 178.31 178.51 1a88 h LEU 45 N 0.34 0.84 -2.13 1.54 3.38 -0.91 -1.75 115.31 116.62 1a88 h LEU 45 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a88 h LEU 45 Cb 0.68 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a88 h LEU 45 CO 0.05 0.74 -0.04 0.77 0.09 0.00 0.00 178.44 180.05 1a88 h SER 46 N 0.91 0.00 -0.51 -0.43 4.64 -0.64 -2.19 113.55 115.33 1a88 h SER 46 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1a88 h SER 46 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1a88 h SER 46 CO -0.02 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 1a88 n HIS 47 N -3.26 1.51 -0.86 4.77 8.25 -0.70 -4.94 115.22 119.99 1a88 n HIS 47 Ca -0.01 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1a88 n HIS 47 Cb 0.20 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 0.76 0.59 3.90 -1.41 0.00 -0.82 -5.07 105.19 103.15 1a88 n GLY 48 Ca 0.22 0.00 -0.28 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 -2.11 3.53 -0.07 1.61 2.02 -0.97 -4.68 117.35 116.68 1a88 s TYR 49 Ca 0.00 0.90 -0.18 0.00 -0.37 0.00 0.00 57.07 57.42 1a88 s TYR 49 Cb 0.00 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.04 1a88 s TYR 49 CO 0.00 -0.46 0.49 0.50 -1.57 0.00 0.00 175.55 174.51 1a88 s ARG 50 N -4.89 4.25 -0.04 -0.62 3.52 -0.97 -4.40 118.95 115.81 1a88 s ARG 50 Ca 0.50 0.50 0.06 0.00 -0.13 0.00 0.00 55.73 56.66 1a88 s ARG 50 Cb -0.10 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1a88 s ARG 50 CO 0.47 0.31 -0.22 0.14 -0.81 0.00 0.00 175.30 175.19 1a88 s VAL 51 N 0.10 1.79 -0.04 7.11 -7.23 -0.04 -1.42 120.40 120.67 1a88 s VAL 51 Ca 0.26 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1a88 s VAL 51 Cb -0.16 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.28 1a88 s VAL 51 CO 0.12 0.50 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.71 1a88 s ILE 52 N -0.21 0.75 -0.15 -0.62 1.01 -0.36 -0.69 121.20 120.93 1a88 s ILE 52 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1a88 s ILE 52 Cb -0.12 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.70 1a88 s ILE 52 CO 0.02 0.25 0.39 0.00 0.00 0.00 0.00 174.94 175.60 1a88 s ALA 53 N 0.50 -0.98 0.24 9.38 0.00 -0.48 -0.98 121.76 129.44 1a88 s ALA 53 Ca -0.08 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.27 1a88 s ALA 53 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1a88 s ALA 53 CO 0.01 -0.22 -0.02 -3.38 0.00 0.00 0.00 175.76 172.15 1a88 s HIS 54 N 0.81 2.69 -0.21 0.00 -3.43 -1.25 -0.70 115.29 113.20 1a88 s HIS 54 Ca -0.05 -0.22 -0.22 0.00 -0.80 0.00 0.00 55.06 53.77 1a88 s HIS 54 Cb -0.06 -1.22 -0.02 0.00 -1.43 0.00 0.00 32.58 29.85 1a88 s HIS 54 CO -0.06 0.60 0.72 -0.51 -2.00 0.00 0.00 174.74 173.48 1a88 s ASP 55 N -3.47 6.76 0.64 7.38 1.01 -0.23 -3.90 116.67 124.85 1a88 s ASP 55 Ca 0.30 0.93 -0.18 0.00 0.71 0.00 0.00 52.55 54.31 1a88 s ASP 55 Cb -0.07 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 1a88 s ASP 55 CO 0.19 -0.37 1.30 -0.60 0.21 0.00 0.00 175.17 175.91 1a88 s ARG 56 N 2.25 2.61 0.40 8.23 3.52 -1.26 -4.37 118.95 130.33 1a88 s ARG 56 Ca 0.32 2.09 -0.25 0.00 -0.13 0.00 0.00 55.73 57.75 1a88 s ARG 56 Cb -0.16 -1.88 -0.11 0.00 -1.56 0.00 0.00 34.95 31.24 1a88 s ARG 56 CO 0.10 -1.56 1.15 2.89 -0.81 0.00 0.00 175.30 177.07 1a88 n ARG 57 N -1.82 1.67 -1.00 5.12 1.85 -1.26 -1.04 116.66 120.19 1a88 n ARG 57 Ca 0.15 0.60 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 1a88 n ARG 57 Cb 0.48 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 29.69 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 0.99 0.42 3.17 2.89 0.00 0.27 -5.00 105.19 107.92 1a88 n GLY 58 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.85 1.19 0.00 1.61 3.76 -0.20 -0.06 115.29 119.73 1a88 s HIS 59 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1a88 s HIS 59 Cb 0.00 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1a88 s HIS 59 CO 0.00 0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 1a88 n GLY 60 N 1.20 3.67 0.67 -2.22 0.00 -1.26 -1.41 105.19 105.84 1a88 n GLY 60 Ca -0.21 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 1.86 -1.66 1.61 1.74 -1.26 -4.44 116.66 128.50 1a88 n ARG 61 Ca 0.00 -1.35 -0.31 0.00 -0.77 0.00 0.00 57.85 55.42 1a88 n ARG 61 Cb 0.00 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.07 5.43 1.18 0.55 0.01 -0.50 -4.60 113.70 113.69 1a88 s SER 62 Ca 0.31 1.48 -0.15 0.00 1.31 0.00 0.00 55.95 58.91 1a88 s SER 62 Cb 0.20 -2.37 0.24 0.00 0.21 0.00 0.00 66.02 64.30 1a88 s SER 62 CO 0.35 -1.39 0.67 0.47 0.41 0.00 0.00 173.24 173.75 1a88 n ASP 63 N -3.08 -2.06 -3.67 2.44 8.00 -0.68 -4.50 116.55 113.00 1a88 n ASP 63 Ca 0.07 -0.18 -0.27 0.00 0.71 0.00 0.00 54.79 55.11 1a88 n ASP 63 Cb 0.54 -1.15 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 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 -4.05 1.68 -1.35 -1.24 6.02 -1.26 -0.56 117.38 116.62 1a88 n GLN 64 Ca 0.02 -4.26 -0.30 0.00 -0.01 0.00 0.00 57.00 52.45 1a88 n GLN 64 Cb 0.57 -2.12 0.12 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.46 1.58 0.16 -1.09 0.04 -1.26 -4.97 135.00 128.00 1a88 s PRO 65 Ca 0.30 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1a88 s PRO 65 Cb 0.03 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1a88 s PRO 65 CO -0.14 -1.99 1.58 1.03 0.04 0.00 0.00 177.00 177.52 1a88 h SER 66 N -1.37 0.98 -4.32 6.66 0.87 -2.01 -3.47 113.55 110.90 1a88 h SER 66 Ca -0.49 -0.36 -0.42 0.00 -1.23 0.00 0.00 61.79 59.30 1a88 h SER 66 Cb 1.28 -0.27 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 1a88 h SER 66 CO 0.57 1.11 -0.36 0.35 -0.53 0.00 0.00 176.83 177.97 1a88 n THR 67 N -4.19 0.00 -0.20 2.23 -2.24 -1.26 -4.89 114.28 103.73 1a88 n THR 67 Ca 0.01 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1a88 n THR 67 Cb 0.40 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.12 0.89 3.03 3.38 0.00 -1.26 -5.01 105.19 106.10 1a88 n GLY 68 Ca -0.03 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.20 3.55 -3.52 1.61 -0.00 -1.26 -4.50 115.22 108.89 1a88 n HIS 69 Ca 0.00 -2.95 -0.12 0.00 -0.00 0.00 0.00 57.72 54.66 1a88 n HIS 69 Cb 0.00 -2.07 -0.03 0.00 -0.00 0.00 0.00 29.99 27.88 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 1.63 -0.42 0.41 0.41 -4.77 -1.26 -4.57 116.67 108.10 1a88 s ASP 70 Ca 0.41 -0.09 0.12 0.00 -3.30 0.00 0.00 52.55 49.69 1a88 s ASP 70 Cb 0.07 0.54 0.85 0.00 -1.09 0.00 0.00 42.92 43.28 1a88 s ASP 70 CO -0.00 -0.89 1.92 0.24 0.70 0.00 0.00 175.17 177.14 1a88 h MET 71 N 2.26 0.08 -0.47 2.11 2.86 -1.89 -0.82 114.93 119.05 1a88 h MET 71 Ca -0.34 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1a88 h MET 71 Cb 1.27 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1a88 h MET 71 CO 0.42 0.30 -0.00 -0.44 1.06 0.00 0.00 176.91 178.25 1a88 h ASP 72 N 0.07 0.82 -0.28 1.22 3.32 -1.97 -0.66 116.42 118.94 1a88 h ASP 72 Ca 0.01 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 1a88 h ASP 72 Cb 0.44 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1a88 h ASP 72 CO 0.03 0.93 -0.50 0.74 -1.72 0.00 0.00 179.24 178.72 1a88 h THR 73 N 0.69 1.28 -0.73 0.35 2.02 -1.70 -1.68 112.91 113.13 1a88 h THR 73 Ca 0.13 -1.68 0.02 0.00 0.77 0.00 0.00 66.41 65.65 1a88 h THR 73 Cb 0.51 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1a88 h THR 73 CO 0.03 0.55 0.48 1.88 0.37 0.00 0.00 175.52 178.82 1a88 h TYR 74 N 0.68 0.90 -0.01 3.16 0.05 -0.90 0.17 116.97 121.02 1a88 h TYR 74 Ca 0.03 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1a88 h TYR 74 Cb 1.09 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 1a88 h TYR 74 CO 0.07 0.54 -0.36 0.00 -1.05 0.00 0.00 178.16 177.36 1a88 h ALA 75 N 1.29 1.39 -0.00 3.88 0.00 -1.05 -2.12 119.26 122.64 1a88 h ALA 75 Ca 0.28 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1a88 h ALA 75 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a88 h ALA 75 CO -0.08 0.46 -0.81 0.00 0.00 0.00 0.00 179.25 178.82 1a88 h ALA 76 N 1.62 0.64 -0.62 0.00 0.00 -0.60 -0.23 119.26 120.09 1a88 h ALA 76 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1a88 h ALA 76 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1a88 h ALA 76 CO 0.05 0.96 0.05 -0.44 0.00 0.00 0.00 179.25 179.87 1a88 h ASP 77 N 0.04 1.03 -0.55 0.00 3.32 -0.45 -0.84 116.42 118.96 1a88 h ASP 77 Ca -0.02 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1a88 h ASP 77 Cb 1.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1a88 h ASP 77 CO 0.11 1.06 0.23 0.58 -1.72 0.00 0.00 179.24 179.49 1a88 h VAL 78 N 0.96 1.22 -0.96 -1.35 2.07 -1.08 -2.19 116.25 114.92 1a88 h VAL 78 Ca 0.18 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1a88 h VAL 78 Cb 0.50 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1a88 h VAL 78 CO 0.02 0.26 0.62 0.00 0.02 0.00 0.00 177.57 178.50 1a88 h ALA 79 N 1.07 1.46 -0.82 1.67 0.00 -0.73 0.03 119.26 121.94 1a88 h ALA 79 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1a88 h ALA 79 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1a88 h ALA 79 CO -0.02 0.38 0.42 0.00 0.00 0.00 0.00 179.25 180.03 1a88 h ALA 80 N 1.49 1.06 -0.02 0.00 0.00 -0.73 -0.64 119.26 120.41 1a88 h ALA 80 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1a88 h ALA 80 Cb 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a88 h ALA 80 CO -0.17 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 180.93 1a88 h LEU 81 N 1.16 0.04 -1.61 0.00 5.85 -0.72 -2.26 115.31 117.77 1a88 h LEU 81 Ca 0.29 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1a88 h LEU 81 Cb 0.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1a88 h LEU 81 CO -0.04 0.44 -0.18 0.71 -0.34 0.00 0.00 178.44 179.03 1a88 h THR 82 N -0.36 0.65 -0.20 1.05 1.35 -0.85 -1.25 112.91 113.30 1a88 h THR 82 Ca 0.00 -0.79 -0.10 0.00 -0.55 0.00 0.00 66.41 64.97 1a88 h THR 82 Cb 0.43 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1a88 h THR 82 CO 0.00 0.18 -0.26 -0.08 -0.25 0.00 0.00 175.52 175.11 1a88 h GLU 83 N 0.00 0.53 -0.48 4.72 4.22 -1.17 0.14 114.58 122.54 1a88 h GLU 83 Ca -0.00 -0.30 -0.04 0.00 0.08 0.00 0.00 59.36 59.10 1a88 h GLU 83 Cb 0.49 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1a88 h GLU 83 CO 0.02 0.90 0.14 0.00 -2.18 0.00 0.00 179.01 177.89 1a88 h ALA 84 N 0.63 1.34 0.00 2.92 0.00 -0.74 -2.18 119.26 121.23 1a88 h ALA 84 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a88 h ALA 84 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a88 h ALA 84 CO 0.06 0.48 -0.49 1.28 0.00 0.00 0.00 179.25 180.58 1a88 n LEU 85 N -4.31 0.65 -3.22 0.00 4.77 -0.54 -4.97 117.00 109.37 1a88 n LEU 85 Ca 0.03 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1a88 n LEU 85 Cb 0.20 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1a88 n LEU 85 CO 0.39 -0.04 0.08 -0.67 -1.33 0.00 0.00 177.39 175.82 1a88 n ASP 86 N -2.01 -3.16 -4.74 -1.43 2.03 0.42 -4.93 116.55 102.72 1a88 n ASP 86 Ca 0.04 -0.60 -0.41 0.00 0.52 0.00 0.00 54.79 54.34 1a88 n ASP 86 Cb 0.42 -4.83 -0.05 0.00 -0.72 0.00 0.00 41.12 35.95 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 -5.84 4.53 -0.03 -2.67 1.43 -0.73 -5.05 118.68 110.33 1a88 s LEU 87 Ca 0.11 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1a88 s LEU 87 Cb -0.01 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1a88 s LEU 87 CO 0.68 -0.09 -0.15 -0.13 0.23 0.00 0.00 176.35 176.89 1a88 s ARG 88 N -0.45 1.38 -1.37 1.70 1.81 -1.26 -4.51 118.95 116.24 1a88 s ARG 88 Ca 0.47 -0.52 -0.09 0.00 -1.72 0.00 0.00 55.73 53.87 1a88 s ARG 88 Cb -0.27 -1.27 0.02 0.00 -0.45 0.00 0.00 34.95 32.99 1a88 s ARG 88 CO 0.33 0.25 1.13 0.41 -0.68 0.00 0.00 175.30 176.74 1a88 n GLY 89 N 2.99 -0.52 3.87 -3.53 0.00 -0.11 -4.75 105.19 103.14 1a88 n GLY 89 Ca -0.17 0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.33 2.98 -0.21 4.61 0.00 -0.42 -4.11 121.76 121.28 1a88 s ALA 90 Ca 0.54 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1a88 s ALA 90 Cb -0.24 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1a88 s ALA 90 CO 0.75 -0.92 0.01 0.08 0.00 0.00 0.00 175.76 175.67 1a88 s VAL 91 N -3.25 3.94 -0.28 0.00 1.01 -0.39 0.02 120.40 121.46 1a88 s VAL 91 Ca 0.57 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1a88 s VAL 91 Cb -0.11 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1a88 s VAL 91 CO 0.53 0.41 0.17 -1.00 0.00 0.00 0.00 175.10 175.21 1a88 s HIS 92 N 1.17 3.19 -0.20 5.22 3.76 -0.85 -0.34 115.29 127.24 1a88 s HIS 92 Ca 0.03 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1a88 s HIS 92 Cb -0.14 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 1a88 s HIS 92 CO 0.01 -0.24 -0.06 0.42 -0.85 0.00 0.00 174.74 174.03 1a88 s ILE 93 N 1.72 3.34 -0.05 0.60 1.01 0.60 -0.74 121.20 127.67 1a88 s ILE 93 Ca 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1a88 s ILE 93 Cb -0.16 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1a88 s ILE 93 CO 0.09 0.45 -0.20 -0.83 0.00 0.00 0.00 174.94 174.45 1a88 s GLY 94 N 1.16 1.04 -0.12 6.18 0.00 -0.13 -0.65 107.32 114.80 1a88 s GLY 94 Ca 0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 1a88 s GLY 94 CO -0.01 -0.46 0.01 -1.58 0.00 0.00 0.00 173.10 171.05 1a88 s HIS 95 N -0.05 3.16 0.00 1.90 2.46 -0.76 -0.22 115.29 121.77 1a88 s HIS 95 Ca -0.03 0.08 0.00 0.00 0.47 0.00 0.00 55.06 55.58 1a88 s HIS 95 Cb -0.12 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 1a88 s HIS 95 CO 0.02 0.32 0.00 0.45 -2.47 0.00 0.00 174.74 173.06 1a88 n SER 96 N 2.67 0.00 -0.13 9.88 2.88 -0.35 -0.12 113.62 128.44 1a88 n SER 96 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 1a88 n SER 96 Cb 0.53 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.82 0.00 2.46 2.02 -1.85 0.77 112.91 117.12 1a88 h THR 97 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1a88 h THR 97 Cb 0.00 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1a88 h THR 97 CO 0.00 0.07 -0.11 1.23 0.37 0.00 0.00 175.52 177.07 1a88 h GLY 98 N 0.38 0.00 1.72 2.16 0.00 -0.42 -1.89 103.07 105.02 1a88 h GLY 98 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.53 1a88 h GLY 98 CO -0.10 0.00 -0.54 -1.33 0.00 0.00 0.00 176.54 174.57 1a88 h GLY 99 N 0.49 0.33 1.00 4.60 0.00 0.64 -0.72 103.07 109.40 1a88 h GLY 99 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1a88 h GLY 99 CO 0.01 0.34 -0.00 -1.33 0.00 0.00 0.00 176.54 175.56 1a88 h GLY 100 N 1.33 0.91 1.00 4.60 0.00 -1.27 -1.50 103.07 108.15 1a88 h GLY 100 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1a88 h GLY 100 CO 0.09 0.62 0.39 -2.09 0.00 0.00 0.00 176.54 175.55 1a88 h GLU 101 N 0.70 0.94 -0.49 4.80 4.81 -1.24 -1.56 114.58 122.54 1a88 h GLU 101 Ca 0.13 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1a88 h GLU 101 Cb 0.52 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1a88 h GLU 101 CO 0.03 0.69 0.29 0.28 -0.73 0.00 0.00 179.01 179.57 1a88 h VAL 102 N 0.93 1.05 -0.26 0.32 2.07 -1.04 -0.81 116.25 118.51 1a88 h VAL 102 Ca 0.24 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1a88 h VAL 102 Cb 0.01 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1a88 h VAL 102 CO -0.04 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.77 1a88 h ALA 103 N 1.22 0.30 -0.66 1.67 0.00 -0.95 0.22 119.26 121.05 1a88 h ALA 103 Ca 0.20 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1a88 h ALA 103 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1a88 h ALA 103 CO -0.09 -0.28 0.13 -0.09 0.00 0.00 0.00 179.25 178.92 1a88 h ARG 104 N 0.25 1.07 0.29 0.00 2.43 -1.13 -2.31 114.38 114.98 1a88 h ARG 104 Ca 0.11 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1a88 h ARG 104 Cb 0.04 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1a88 h ARG 104 CO -0.08 0.96 -0.14 -0.92 -1.51 0.00 0.00 179.97 178.28 1a88 h TYR 105 N 1.01 -0.36 -0.94 2.20 3.20 -0.72 -3.11 116.97 118.25 1a88 h TYR 105 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1a88 h TYR 105 Cb 0.39 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 1a88 h TYR 105 CO 0.03 -0.04 0.62 0.28 -1.64 0.00 0.00 178.16 177.41 1a88 h VAL 106 N -0.71 1.14 -0.15 1.81 2.07 -0.55 -0.56 116.25 119.32 1a88 h VAL 106 Ca -0.04 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1a88 h VAL 106 Cb 0.48 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1a88 h VAL 106 CO 0.06 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.98 1a88 h ALA 107 N 1.46 2.07 -0.03 1.67 0.00 -1.45 -2.81 119.26 120.17 1a88 h ALA 107 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a88 h ALA 107 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a88 h ALA 107 CO -0.12 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1a88 n ARG 108 N -4.39 0.79 -1.97 0.00 1.74 -0.83 -4.89 116.66 107.11 1a88 n ARG 108 Ca 0.01 -1.27 -0.37 0.00 -0.77 0.00 0.00 57.85 55.45 1a88 n ARG 108 Cb 0.24 -1.24 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.01 2.61 0.78 7.54 0.00 -0.28 -5.00 121.76 126.41 1a88 s ALA 109 Ca 0.15 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1a88 s ALA 109 Cb 0.10 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1a88 s ALA 109 CO 0.15 -1.20 1.12 -1.21 0.00 0.00 0.00 175.76 174.62 1a88 s GLU 110 N -3.20 2.05 0.27 0.00 2.02 -1.26 -4.92 118.70 113.65 1a88 s GLU 110 Ca 0.76 1.35 -0.31 0.00 0.02 0.00 0.00 54.97 56.79 1a88 s GLU 110 Cb -0.33 -1.86 -0.12 0.00 0.10 0.00 0.00 34.13 31.92 1a88 s GLU 110 CO 0.36 -1.82 1.60 -2.30 0.02 0.00 0.00 175.26 173.12 1a88 n PRO 111 N -3.43 2.63 -0.09 0.39 -0.02 -1.26 -2.31 135.00 130.91 1a88 n PRO 111 Ca 0.10 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1a88 n PRO 111 Cb 0.52 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1a88 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a88 n GLY 112 N 2.54 1.49 0.18 -1.23 0.00 -1.26 -4.91 105.19 101.99 1a88 n GLY 112 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 3.08 0.63 -5.59 1.61 2.47 -1.69 -0.28 114.38 114.62 1a88 h ARG 113 Ca 0.00 -0.84 -0.66 0.00 -1.26 0.00 0.00 59.98 57.22 1a88 h ARG 113 Cb 0.00 0.27 -0.25 0.00 -1.65 0.00 0.00 29.97 28.35 1a88 h ARG 113 CO 0.00 1.38 -0.75 0.08 0.56 0.00 0.00 179.97 181.24 1a88 s VAL 114 N -3.00 3.21 -0.25 2.04 1.01 -1.26 -1.30 120.40 120.86 1a88 s VAL 114 Ca -0.10 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1a88 s VAL 114 Cb 0.06 -2.34 -0.17 0.00 0.00 0.00 0.00 36.38 33.93 1a88 s VAL 114 CO 0.93 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 176.40 1a88 n ALA 115 N 3.17 1.26 -3.11 5.51 0.00 0.10 -4.77 120.51 122.68 1a88 n ALA 115 Ca -0.18 -1.01 -0.09 0.00 0.00 0.00 0.00 53.44 52.16 1a88 n ALA 115 Cb 0.53 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.51 1.37 0.05 0.00 1.02 -1.16 -4.28 119.74 114.23 1a88 s LYS 116 Ca -0.34 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 54.57 1a88 s LYS 116 Cb 0.10 0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 37.84 1a88 s LYS 116 CO 0.58 -0.56 -0.04 0.00 -0.92 0.00 0.00 175.35 174.41 1a88 s ALA 117 N -3.94 0.53 -0.04 5.17 0.00 -0.90 -2.01 121.76 120.56 1a88 s ALA 117 Ca 0.15 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1a88 s ALA 117 Cb 0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1a88 s ALA 117 CO 0.02 -0.30 0.00 0.08 0.00 0.00 0.00 175.76 175.56 1a88 s VAL 118 N -3.39 0.25 -0.40 0.00 1.01 0.08 -1.04 120.40 116.91 1a88 s VAL 118 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1a88 s VAL 118 Cb 0.04 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 36.14 1a88 s VAL 118 CO -0.07 0.19 0.21 -0.76 0.00 0.00 0.00 175.10 174.67 1a88 s LEU 119 N 1.36 5.04 -0.26 3.92 1.43 0.32 -0.95 118.68 129.53 1a88 s LEU 119 Ca -0.05 -1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 51.32 1a88 s LEU 119 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1a88 s LEU 119 CO -0.02 -0.51 0.11 -0.69 0.23 0.00 0.00 176.35 175.46 1a88 s VAL 120 N 1.31 4.61 -1.58 -1.59 1.01 0.69 -1.20 120.40 123.65 1a88 s VAL 120 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 1a88 s VAL 120 Cb -0.23 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.09 1a88 s VAL 120 CO -0.00 0.31 0.80 -1.20 0.00 0.00 0.00 175.10 175.00 1a88 n SER 121 N 4.96 -3.26 -4.90 3.32 7.64 0.46 -1.21 113.62 120.63 1a88 n SER 121 Ca -0.16 -0.92 -0.29 0.00 1.01 0.00 0.00 58.87 58.52 1a88 n SER 121 Cb 0.52 -3.25 -0.02 0.00 -1.01 0.00 0.00 64.21 60.44 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 -3.42 3.47 0.16 -0.43 0.00 -1.26 -2.75 121.76 117.53 1a88 s ALA 122 Ca 0.57 -0.42 0.16 0.00 0.00 0.00 0.00 51.96 52.26 1a88 s ALA 122 Cb -0.30 -2.52 0.49 0.00 0.00 0.00 0.00 23.12 20.79 1a88 s ALA 122 CO 0.88 -0.01 1.65 -0.39 0.00 0.00 0.00 175.76 177.89 1a88 h VAL 123 N 0.96 1.07 -3.99 0.00 -1.51 -1.90 -3.44 116.25 107.44 1a88 h VAL 123 Ca -0.47 -1.85 -0.55 0.00 -1.23 0.00 0.00 66.70 62.60 1a88 h VAL 123 Cb 1.19 2.08 0.18 0.00 -2.13 0.00 0.00 31.29 32.61 1a88 h VAL 123 CO 0.64 0.47 0.24 -2.65 -1.23 0.00 0.00 177.57 175.05 1a88 n PRO 124 N -3.56 0.42 0.13 5.19 -0.02 -1.26 -3.57 135.00 132.33 1a88 n PRO 124 Ca -0.00 0.21 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1a88 n PRO 124 Cb 0.58 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 1a88 n PRO 124 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1a88 h PRO 125 N -0.48 0.45 -1.75 0.52 0.14 -1.78 -3.41 132.00 125.69 1a88 h PRO 125 Ca -0.47 -0.77 0.06 0.00 0.14 0.00 0.00 66.00 64.96 1a88 h PRO 125 Cb 1.32 0.29 -0.24 0.00 0.14 0.00 0.00 31.00 32.50 1a88 h PRO 125 CO 0.47 1.37 0.23 0.54 0.14 0.00 0.00 178.00 180.74 1a88 s VAL 126 N -2.63 0.00 -0.10 1.56 0.11 -1.23 -0.61 120.40 117.50 1a88 s VAL 126 Ca -0.07 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 1a88 s VAL 126 Cb 0.05 -1.00 -0.28 0.00 -1.53 0.00 0.00 36.38 33.62 1a88 s VAL 126 CO 0.93 0.00 0.56 0.24 -3.33 0.00 0.00 175.10 173.49 1a88 h MET 127 N 6.23 0.27 -6.88 1.54 0.00 -1.72 -3.47 114.93 110.90 1a88 h MET 127 Ca -0.29 -0.46 -0.52 0.00 0.00 0.00 0.00 59.70 58.43 1a88 h MET 127 Cb 1.20 0.17 0.06 0.00 0.00 0.00 0.00 31.60 33.04 1a88 h MET 127 CO 0.17 1.22 0.62 0.54 0.00 0.00 0.00 176.91 179.46 1a88 s VAL 128 N -2.50 2.77 0.50 -2.22 0.11 -0.64 -1.48 120.40 116.94 1a88 s VAL 128 Ca -0.19 0.78 -0.22 0.00 -2.93 0.00 0.00 61.98 59.41 1a88 s VAL 128 Cb 0.05 -3.49 -0.06 0.00 -1.53 0.00 0.00 36.38 31.34 1a88 s VAL 128 CO 0.78 0.18 1.26 -0.75 -3.33 0.00 0.00 175.10 173.25 1a88 s LYS 129 N -1.79 3.45 0.04 1.54 2.20 0.20 -4.59 119.74 120.79 1a88 s LYS 129 Ca 0.49 2.01 -0.04 0.00 -0.36 0.00 0.00 55.97 58.07 1a88 s LYS 129 Cb -0.39 -2.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1a88 s LYS 129 CO 0.52 -0.87 0.20 -1.13 -0.36 0.00 0.00 175.35 173.71 1a88 n SER 130 N -0.75 -0.34 0.01 1.43 3.41 -0.40 -4.86 113.62 112.12 1a88 n SER 130 Ca 0.09 -1.19 -0.14 0.00 -0.26 0.00 0.00 58.87 57.38 1a88 n SER 130 Cb 0.46 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 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 0.38 0.73 1.41 4.04 3.04 -1.97 -2.61 116.42 121.44 1a88 h ASP 131 Ca -0.05 -0.47 -0.08 0.00 -3.24 0.00 0.00 57.03 53.19 1a88 h ASP 131 Cb 0.23 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1a88 h ASP 131 CO 0.07 1.24 -0.36 0.74 -2.04 0.00 0.00 179.24 178.89 1a88 h THR 132 N 0.43 0.67 -2.34 1.15 2.02 -1.97 -3.39 112.91 109.48 1a88 h THR 132 Ca -0.04 -1.77 -0.59 0.00 0.77 0.00 0.00 66.41 64.79 1a88 h THR 132 Cb 1.34 2.20 -0.39 0.00 -1.74 0.00 0.00 68.15 69.56 1a88 h THR 132 CO 0.14 0.36 -0.95 -3.20 0.37 0.00 0.00 175.52 172.24 1a88 n ASN 133 N -3.26 0.25 0.32 4.18 5.15 -1.15 -4.97 115.26 115.78 1a88 n ASN 133 Ca 0.02 -2.59 0.21 0.00 -0.60 0.00 0.00 54.58 51.61 1a88 n ASN 133 Cb 0.63 -0.60 1.09 0.00 -0.53 0.00 0.00 39.78 40.37 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 5.12 0.00 -0.59 1.20 0.13 -1.67 -0.86 132.00 135.32 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 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a88 h PRO 134 CO 0.45 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 1a88 n ASP 135 N -3.22 3.32 -3.58 1.44 8.00 -1.26 -4.82 116.55 116.44 1a88 n ASP 135 Ca -0.02 -1.99 -0.28 0.00 0.71 0.00 0.00 54.79 53.20 1a88 n ASP 135 Cb 0.11 -0.39 0.23 0.00 -0.02 0.00 0.00 41.12 41.05 1a88 n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a88 n GLY 136 N 1.49 -2.44 3.85 0.44 0.00 -0.78 -4.81 105.19 102.95 1a88 n GLY 136 Ca 0.21 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1a88 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a88 s LEU 137 N 0.00 4.37 0.61 0.99 1.43 -0.55 -4.37 118.68 121.15 1a88 s LEU 137 Ca 0.69 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 1a88 s LEU 137 Cb -0.05 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1a88 s LEU 137 CO 0.51 0.15 1.16 -2.16 0.23 0.00 0.00 176.35 176.24 1a88 s PRO 138 N -1.82 2.93 0.47 1.29 0.04 -1.26 0.60 135.00 137.25 1a88 s PRO 138 Ca 0.35 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.25 1a88 s PRO 138 Cb -0.15 -1.94 1.23 0.00 0.04 0.00 0.00 34.50 33.67 1a88 s PRO 138 CO 0.18 -1.20 1.92 1.25 0.04 0.00 0.00 177.00 179.20 1a88 h LEU 139 N 0.60 0.22 -1.22 -3.56 6.46 -1.97 -1.68 115.31 114.16 1a88 h LEU 139 Ca -0.49 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.42 1a88 h LEU 139 Cb 1.27 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 41.11 1a88 h LEU 139 CO 0.55 0.10 0.58 1.05 -0.62 0.00 0.00 178.44 180.10 1a88 h GLU 140 N 0.23 0.76 -0.48 1.25 9.09 -1.99 -1.05 114.58 122.40 1a88 h GLU 140 Ca 0.37 -0.05 0.07 0.00 0.05 0.00 0.00 59.36 59.80 1a88 h GLU 140 Cb 1.11 -0.17 -0.06 0.00 -1.65 0.00 0.00 28.75 27.99 1a88 h GLU 140 CO -0.08 0.50 0.16 0.28 0.05 0.00 0.00 179.01 179.92 1a88 h VAL 141 N 0.78 0.82 0.00 -1.06 2.07 -1.67 -1.87 116.25 115.33 1a88 h VAL 141 Ca 0.45 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.69 1a88 h VAL 141 Cb 0.62 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1a88 h VAL 141 CO -0.21 0.06 -0.83 -0.26 0.02 0.00 0.00 177.57 176.35 1a88 h PHE 142 N 0.32 0.00 -0.60 1.57 0.04 -1.42 -2.69 116.94 114.17 1a88 h PHE 142 Ca 0.23 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 1a88 h PHE 142 Cb 0.25 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1a88 h PHE 142 CO -0.17 0.83 0.20 -0.44 -0.60 0.00 0.00 178.31 178.13 1a88 h ASP 143 N 0.00 0.83 -0.58 2.17 3.32 -0.92 -0.74 116.42 120.50 1a88 h ASP 143 Ca -0.01 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 1a88 h ASP 143 Cb 1.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1a88 h ASP 143 CO 0.11 0.77 0.04 -0.33 -1.72 0.00 0.00 179.24 178.11 1a88 h GLU 144 N 0.88 1.00 -0.47 3.56 5.08 -1.15 -1.26 114.58 122.21 1a88 h GLU 144 Ca 0.20 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1a88 h GLU 144 Cb 0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1a88 h GLU 144 CO -0.01 0.97 0.30 0.74 -1.00 0.00 0.00 179.01 180.01 1a88 h PHE 145 N 0.89 0.61 0.01 4.33 0.04 -1.20 -0.02 116.94 121.60 1a88 h PHE 145 Ca 0.17 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1a88 h PHE 145 Cb 0.49 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1a88 h PHE 145 CO 0.04 0.40 -0.08 0.00 -0.60 0.00 0.00 178.31 178.06 1a88 h ARG 146 N 0.64 -0.14 -0.51 1.51 3.08 -0.91 -0.54 114.38 117.50 1a88 h ARG 146 Ca 0.17 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1a88 h ARG 146 Cb -0.05 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1a88 h ARG 146 CO -0.04 -0.10 0.32 0.00 -1.07 0.00 0.00 179.97 179.09 1a88 h ALA 147 N 0.83 0.65 -0.44 0.04 0.00 -1.09 -1.26 119.26 117.99 1a88 h ALA 147 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1a88 h ALA 147 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a88 h ALA 147 CO -0.08 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.16 1a88 h ALA 148 N 1.17 0.94 -0.20 0.00 0.00 -0.75 -2.49 119.26 117.93 1a88 h ALA 148 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1a88 h ALA 148 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a88 h ALA 148 CO -0.04 0.62 0.06 1.25 0.00 0.00 0.00 179.25 181.14 1a88 h LEU 149 N 0.73 0.29 -1.24 0.00 6.46 -0.88 -2.22 115.31 118.45 1a88 h LEU 149 Ca 0.12 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 1a88 h LEU 149 Cb 0.62 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1a88 h LEU 149 CO 0.04 0.41 -0.26 0.00 -0.62 0.00 0.00 178.44 178.01 1a88 h ALA 150 N 0.89 1.37 -0.05 1.25 0.00 -1.20 -2.85 119.26 118.67 1a88 h ALA 150 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1a88 h ALA 150 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a88 h ALA 150 CO -0.00 0.44 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 1a88 h ALA 151 N 1.57 0.10 -1.11 0.00 0.00 -1.27 -3.43 119.26 115.12 1a88 h ALA 151 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1a88 h ALA 151 Cb 0.56 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.14 1a88 h ALA 151 CO 0.04 0.13 -0.48 1.21 0.00 0.00 0.00 179.25 180.15 1a88 s ASN 152 N -6.32 -1.22 0.18 0.00 3.84 -0.85 -5.03 114.94 105.54 1a88 s ASN 152 Ca -0.15 -0.95 -0.12 0.00 0.21 0.00 0.00 52.86 51.85 1a88 s ASN 152 Cb 0.03 1.80 0.08 0.00 -0.55 0.00 0.00 41.25 42.60 1a88 s ASN 152 CO 0.76 -0.17 1.77 -0.09 -2.79 0.00 0.00 177.10 176.58 1a88 h ARG 153 N 6.87 0.85 -0.92 0.43 2.43 -1.67 -2.20 114.38 120.17 1a88 h ARG 153 Ca 0.05 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1a88 h ARG 153 Cb 1.16 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1a88 h ARG 153 CO 0.11 0.68 0.58 0.00 -1.51 0.00 0.00 179.97 179.82 1a88 h ALA 154 N 1.13 1.27 0.09 2.80 0.00 -1.93 -0.76 119.26 121.85 1a88 h ALA 154 Ca 0.21 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 1a88 h ALA 154 Cb 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1a88 h ALA 154 CO -0.03 0.33 -1.11 0.37 0.00 0.00 0.00 179.25 178.82 1a88 h GLN 155 N 1.05 0.60 -0.38 0.00 5.75 -1.88 -3.23 115.11 117.01 1a88 h GLN 155 Ca 0.40 -0.76 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1a88 h GLN 155 Cb 0.19 0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1a88 h GLN 155 CO -0.18 1.33 0.12 0.35 -2.65 0.00 0.00 178.83 177.80 1a88 h PHE 156 N 0.21 0.54 0.00 3.99 3.57 -1.17 -0.84 116.94 123.24 1a88 h PHE 156 Ca -0.16 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1a88 h PHE 156 Cb 1.79 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1a88 h PHE 156 CO 0.12 0.45 0.00 0.66 -2.23 0.00 0.00 178.31 177.32 1a88 n TYR 157 N -4.36 0.00 -0.04 0.41 4.02 -0.31 -1.55 117.16 115.33 1a88 n TYR 157 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 1a88 n TYR 157 Cb 0.17 -0.43 -0.13 0.00 -0.02 0.00 0.00 39.34 38.93 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 -1.43 1.68 -0.25 -0.72 5.41 -0.40 -4.27 119.36 119.38 1a88 n ILE 158 Ca 0.07 -0.51 -0.07 0.00 1.00 0.00 0.00 62.75 63.24 1a88 n ILE 158 Cb 0.23 -1.76 0.05 0.00 -0.71 0.00 0.00 39.64 37.46 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 -0.19 0.95 0.42 4.38 3.32 -0.74 -1.91 116.42 122.65 1a88 h ASP 159 Ca -0.45 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 1a88 h ASP 159 Cb 1.86 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1a88 h ASP 159 CO -0.02 0.85 -0.20 0.58 -1.72 0.00 0.00 179.24 178.73 1a88 h VAL 160 N 0.99 0.57 0.00 -1.35 2.07 -1.51 -0.50 116.25 116.52 1a88 h VAL 160 Ca 0.23 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1a88 h VAL 160 Cb 0.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1a88 h VAL 160 CO -0.02 0.05 -0.22 1.55 0.02 0.00 0.00 177.57 178.94 1a88 h PRO 161 N -0.71 0.00 0.00 1.57 0.13 -1.77 -2.24 132.00 128.98 1a88 h PRO 161 Ca -0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 1a88 h PRO 161 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1a88 h PRO 161 CO 0.10 0.22 -0.59 0.77 -0.23 0.00 0.00 178.00 178.26 1a88 h SER 162 N 0.00 0.00 0.00 1.44 0.02 -1.08 -3.39 113.55 110.53 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 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1a88 h SER 162 CO 0.03 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1a88 n GLY 163 N 0.84 0.14 0.20 -3.77 0.00 -0.22 -4.29 105.19 98.09 1a88 n GLY 163 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.56 -0.49 1.61 0.13 -1.74 -3.07 132.00 129.00 1a88 h PRO 164 Ca 0.00 -0.44 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1a88 h PRO 164 Cb 0.00 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.17 1a88 h PRO 164 CO 0.00 1.06 0.23 0.35 -0.23 0.00 0.00 178.00 179.41 1a88 h PHE 165 N 0.39 0.41 -0.17 1.56 3.04 -1.66 -3.10 116.94 117.42 1a88 h PHE 165 Ca -0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1a88 h PHE 165 Cb 1.30 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1a88 h PHE 165 CO 0.06 0.18 0.00 0.66 -2.02 0.00 0.00 178.31 177.19 1a88 n TYR 166 N -4.93 0.21 -1.99 0.41 4.01 -1.26 -1.22 117.16 112.39 1a88 n TYR 166 Ca 0.04 -0.20 -0.09 0.00 -0.16 0.00 0.00 57.90 57.49 1a88 n TYR 166 Cb 0.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.69 0.22 0.00 2.72 0.00 -1.17 -4.80 105.19 102.85 1a88 n GLY 167 Ca 0.10 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.74 0.00 1.42 1.61 3.72 -1.16 -2.11 117.46 117.20 1a88 n PHE 168 Ca -0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1a88 n PHE 168 Cb 0.53 -0.33 0.44 0.00 -0.94 0.00 0.00 39.48 39.19 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 -1.33 1.30 -4.74 4.37 6.94 -1.23 -4.85 115.26 115.73 1a88 n ASN 169 Ca 0.12 -1.61 -0.38 0.00 -0.02 0.00 0.00 54.58 52.69 1a88 n ASN 169 Cb 0.24 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.86 4.29 0.29 -3.83 1.81 -0.90 -5.02 118.95 113.72 1a88 s ARG 170 Ca 0.33 0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 54.51 1a88 s ARG 170 Cb 0.17 -3.40 -0.13 0.00 -0.45 0.00 0.00 34.95 31.14 1a88 s ARG 170 CO 0.27 0.23 1.42 -1.91 -0.68 0.00 0.00 175.30 174.64 1a88 n GLU 171 N 3.39 2.25 -0.33 3.54 2.13 -1.26 -1.64 120.64 128.72 1a88 n GLU 171 Ca -0.08 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1a88 n GLU 171 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 1.70 1.62 3.77 8.31 0.00 -1.26 -5.03 105.19 114.30 1a88 n GLY 172 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.07 2.85 -0.44 4.61 0.00 -0.65 -4.97 121.76 120.10 1a88 s ALA 173 Ca 0.00 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 1a88 s ALA 173 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1a88 s ALA 173 CO 0.00 -0.78 0.79 0.99 0.00 0.00 0.00 175.76 176.76 1a88 s THR 174 N -1.59 4.66 0.09 0.00 2.01 -1.26 -5.03 115.64 114.52 1a88 s THR 174 Ca 0.68 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.94 1a88 s THR 174 Cb -0.28 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.86 1a88 s THR 174 CO 0.33 -0.67 0.81 -0.69 -0.69 0.00 0.00 174.62 173.71 1a88 s VAL 175 N 3.27 4.59 -0.31 3.82 1.01 -1.26 -5.01 120.40 126.51 1a88 s VAL 175 Ca 0.30 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1a88 s VAL 175 Cb -0.12 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1a88 s VAL 175 CO 0.22 0.39 0.03 -0.55 0.00 0.00 0.00 175.10 175.19 1a88 s SER 176 N -0.30 4.99 0.43 3.32 0.15 -1.26 -4.97 113.70 116.06 1a88 s SER 176 Ca 0.40 -1.29 0.10 0.00 0.70 0.00 0.00 55.95 55.85 1a88 s SER 176 Cb -0.22 -1.75 0.95 0.00 -1.71 0.00 0.00 66.02 63.29 1a88 s SER 176 CO 0.25 -0.29 2.06 -0.61 1.20 0.00 0.00 173.24 175.85 1a88 h GLN 177 N 8.04 0.36 -0.39 5.44 5.75 -2.00 -2.41 115.11 129.89 1a88 h GLN 177 Ca -0.21 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.20 1a88 h GLN 177 Cb 1.06 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1a88 h GLN 177 CO 0.55 0.27 -0.00 0.78 -2.65 0.00 0.00 178.83 177.79 1a88 h GLY 178 N 0.44 0.66 1.05 2.39 0.00 -1.99 -1.40 103.07 104.23 1a88 h GLY 178 Ca 0.10 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1a88 h GLY 178 CO -0.02 0.38 0.14 1.41 0.00 0.00 0.00 176.54 178.45 1a88 h LEU 179 N 0.58 1.03 -0.09 3.11 3.38 -1.86 -0.64 115.31 120.82 1a88 h LEU 179 Ca 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1a88 h LEU 179 Cb 0.37 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1a88 h LEU 179 CO 0.01 1.01 0.03 0.40 0.09 0.00 0.00 178.44 179.98 1a88 h ILE 180 N 1.00 1.16 -0.65 1.22 2.04 -1.25 -2.20 117.51 118.84 1a88 h ILE 180 Ca 0.21 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1a88 h ILE 180 Cb 0.40 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1a88 h ILE 180 CO 0.01 0.14 0.12 0.44 0.00 0.00 0.00 178.15 178.86 1a88 h ASP 181 N -0.04 1.01 -0.12 1.72 3.32 -1.20 -2.25 116.42 118.87 1a88 h ASP 181 Ca 0.03 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1a88 h ASP 181 Cb 0.20 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1a88 h ASP 181 CO -0.00 1.01 -0.24 -0.74 -1.72 0.00 0.00 179.24 177.54 1a88 h HIS 182 N 0.98 0.64 -0.20 4.55 2.76 -1.11 -1.41 115.15 121.35 1a88 h HIS 182 Ca 0.20 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1a88 h HIS 182 Cb 0.42 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1a88 h HIS 182 CO 0.03 0.76 0.11 2.35 -1.30 0.00 0.00 177.93 179.88 1a88 h TRP 183 N 0.50 0.27 -0.31 5.26 7.01 -1.07 -1.48 115.95 126.12 1a88 h TRP 183 Ca 0.07 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1a88 h TRP 183 Cb 0.69 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1a88 h TRP 183 CO 0.03 0.24 0.21 2.35 -2.79 0.00 0.00 178.44 178.47 1a88 h TRP 184 N 0.22 0.40 -0.28 2.65 7.01 -1.24 -0.35 115.95 124.36 1a88 h TRP 184 Ca 0.07 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1a88 h TRP 184 Cb 0.06 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1a88 h TRP 184 CO -0.04 0.26 0.15 1.25 -2.79 0.00 0.00 178.44 177.27 1a88 h LEU 185 N 0.42 0.25 -0.55 0.65 5.85 -1.17 0.86 115.31 121.62 1a88 h LEU 185 Ca 0.11 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1a88 h LEU 185 Cb -0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1a88 h LEU 185 CO -0.02 0.18 0.13 1.56 -0.34 0.00 0.00 178.44 179.94 1a88 h GLN 186 N 0.32 0.89 -0.26 1.25 4.20 -1.04 -1.81 115.11 118.66 1a88 h GLN 186 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1a88 h GLN 186 Cb 0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1a88 h GLN 186 CO -0.06 0.84 0.17 0.78 -0.67 0.00 0.00 178.83 179.90 1a88 h GLY 187 N 0.79 0.37 1.94 3.46 0.00 -0.78 -3.10 103.07 105.75 1a88 h GLY 187 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1a88 h GLY 187 CO 0.00 0.14 -0.33 -0.33 0.00 0.00 0.00 176.54 176.02 1a88 h MET 188 N 0.36 0.07 -0.06 4.80 2.86 -0.62 -2.43 114.93 119.91 1a88 h MET 188 Ca 0.10 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1a88 h MET 188 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1a88 h MET 188 CO -0.02 0.39 -0.15 0.52 1.06 0.00 0.00 176.91 178.71 1a88 h MET 189 N 0.06 0.09 -7.68 1.72 2.86 -1.26 -3.45 114.93 107.26 1a88 h MET 189 Ca 0.01 -0.02 -0.45 0.00 -2.06 0.00 0.00 59.70 57.18 1a88 h MET 189 Cb 0.61 -0.01 0.14 0.00 0.06 0.00 0.00 31.60 32.40 1a88 h MET 189 CO 0.04 0.24 0.38 0.20 1.06 0.00 0.00 176.91 178.84 1a88 s GLY 190 N -4.13 1.68 0.09 8.32 0.00 -0.92 -4.42 107.32 107.94 1a88 s GLY 190 Ca -0.05 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 43.50 1a88 s GLY 190 CO 0.71 -0.25 0.80 0.00 0.00 0.00 0.00 173.10 174.36 1a88 s ALA 191 N -3.64 3.37 0.27 3.20 0.00 0.91 -4.94 121.76 120.94 1a88 s ALA 191 Ca 0.69 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 1a88 s ALA 191 Cb -0.08 -3.03 0.40 0.00 0.00 0.00 0.00 23.12 20.41 1a88 s ALA 191 CO 0.52 0.12 1.88 0.00 0.00 0.00 0.00 175.76 178.29 1a88 h ALA 192 N 5.22 1.39 -0.28 0.00 0.00 -1.93 -1.05 119.26 122.62 1a88 h ALA 192 Ca -0.45 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1a88 h ALA 192 Cb 1.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a88 h ALA 192 CO 0.69 0.46 -0.28 -2.95 0.00 0.00 0.00 179.25 177.18 1a88 h ASN 193 N 1.19 0.72 -0.43 0.00 -1.07 -1.95 -0.70 115.58 113.34 1a88 h ASN 193 Ca 0.43 -0.47 -0.02 0.00 0.07 0.00 0.00 56.30 56.31 1a88 h ASN 193 Cb 0.15 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.18 1a88 h ASN 193 CO -0.17 1.05 0.20 0.00 0.07 0.00 0.00 177.43 178.58 1a88 h ALA 194 N 0.70 0.56 -0.89 4.14 0.00 -1.78 -0.94 119.26 121.03 1a88 h ALA 194 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1a88 h ALA 194 Cb 0.84 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1a88 h ALA 194 CO 0.07 0.13 0.59 0.45 0.00 0.00 0.00 179.25 180.49 1a88 h HIS 195 N 0.56 1.11 0.03 0.00 3.86 -1.13 0.89 115.15 120.47 1a88 h HIS 195 Ca 0.15 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1a88 h HIS 195 Cb 0.13 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1a88 h HIS 195 CO -0.01 0.68 -0.01 -0.92 0.86 0.00 0.00 177.93 178.53 1a88 h TYR 196 N 1.19 -0.04 0.00 2.45 5.03 -0.88 -3.20 116.97 121.52 1a88 h TYR 196 Ca 0.34 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.57 1a88 h TYR 196 Cb -0.09 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1a88 h TYR 196 CO -0.00 0.42 -0.35 0.93 -1.32 0.00 0.00 178.16 177.83 1a88 h GLU 197 N -0.51 0.00 0.00 1.82 5.08 -1.02 -2.94 114.58 117.01 1a88 h GLU 197 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1a88 h GLU 197 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a88 h GLU 197 CO 0.01 0.35 -0.15 0.00 -1.00 0.00 0.00 179.01 178.22 1a88 h ILE 199 N 0.00 0.91 -0.64 0.00 2.04 -1.54 0.24 117.51 118.52 1a88 h ILE 199 Ca -0.00 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1a88 h ILE 199 Cb 0.35 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1a88 h ILE 199 CO 0.02 0.06 0.13 0.00 0.00 0.00 0.00 178.15 178.35 1a88 h ALA 200 N 1.25 1.01 -0.41 1.87 0.00 -1.65 -1.83 119.26 119.49 1a88 h ALA 200 Ca 0.18 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a88 h ALA 200 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1a88 h ALA 200 CO -0.17 0.64 0.24 0.00 0.00 0.00 0.00 179.25 179.96 1a88 h ALA 201 N 1.15 0.52 0.08 0.00 0.00 -1.04 0.14 119.26 120.13 1a88 h ALA 201 Ca 0.20 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 1a88 h ALA 201 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a88 h ALA 201 CO 0.01 -0.08 -1.27 0.27 0.00 0.00 0.00 179.25 178.17 1a88 h PHE 202 N 0.49 0.33 0.00 0.00 -5.15 -0.90 -3.15 116.94 108.56 1a88 h PHE 202 Ca 0.16 -0.24 -0.07 0.00 -0.20 0.00 0.00 57.97 57.63 1a88 h PHE 202 Cb 0.01 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.15 1a88 h PHE 202 CO -0.07 1.21 -1.04 0.66 -2.00 0.00 0.00 178.31 177.07 1a88 h SER 203 N 0.05 0.00 0.00 -0.68 4.64 -1.24 -3.40 113.55 112.92 1a88 h SER 203 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1a88 h SER 203 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1a88 h SER 203 CO 0.17 0.24 -0.72 -0.62 -0.87 0.00 0.00 176.83 175.03 1a88 n GLU 204 N -2.82 2.85 -2.31 4.77 1.02 0.03 -1.62 120.64 122.55 1a88 n GLU 204 Ca -0.03 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1a88 n GLU 204 Cb 0.66 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 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 -2.15 3.67 -0.32 2.62 2.01 -1.19 -4.95 115.64 115.33 1a88 s THR 205 Ca 0.02 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.08 1a88 s THR 205 Cb 0.08 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1a88 s THR 205 CO 0.42 0.11 0.46 -0.62 -0.69 0.00 0.00 174.62 174.31 1a88 s ASP 206 N 0.93 6.30 -0.12 3.53 -1.08 -1.26 -4.53 116.67 120.44 1a88 s ASP 206 Ca 0.60 0.08 0.18 0.00 -0.52 0.00 0.00 52.55 52.89 1a88 s ASP 206 Cb -0.33 -2.25 0.72 0.00 -1.46 0.00 0.00 42.92 39.61 1a88 s ASP 206 CO 0.31 -0.37 1.63 0.49 0.52 0.00 0.00 175.17 177.74 1a88 n PHE 207 N 5.58 1.53 -0.11 -5.34 3.72 0.22 -4.62 117.46 118.44 1a88 n PHE 207 Ca -0.06 -0.60 -0.05 0.00 -0.05 0.00 0.00 57.45 56.69 1a88 n PHE 207 Cb 0.49 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1a88 n PHE 207 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1a88 h THR 208 N 4.06 0.68 -0.03 4.37 2.02 -1.92 -1.29 112.91 120.80 1a88 h THR 208 Ca 0.00 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1a88 h THR 208 Cb 1.48 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1a88 h THR 208 CO 0.25 0.01 -0.44 0.44 0.37 0.00 0.00 175.52 176.15 1a88 h ASP 209 N 0.07 0.08 0.06 4.18 3.32 -1.97 -2.24 116.42 119.92 1a88 h ASP 209 Ca 0.19 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1a88 h ASP 209 Cb 0.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1a88 h ASP 209 CO -0.34 0.51 -0.03 0.44 -1.72 0.00 0.00 179.24 178.10 1a88 h ASP 210 N 0.06 -0.07 -0.71 6.45 3.32 -1.66 -2.59 116.42 121.22 1a88 h ASP 210 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1a88 h ASP 210 Cb 0.80 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1a88 h ASP 210 CO 0.06 0.11 0.47 -0.07 -1.72 0.00 0.00 179.24 178.09 1a88 h LEU 211 N -0.25 0.73 -1.15 1.55 3.38 -0.95 -0.94 115.31 117.69 1a88 h LEU 211 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a88 h LEU 211 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1a88 h LEU 211 CO 0.01 0.50 0.00 0.11 0.09 0.00 0.00 178.44 179.16 1a88 h LYS 212 N 0.85 0.00 0.00 1.13 1.57 -1.19 -3.05 116.57 115.88 1a88 h LYS 212 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1a88 h LYS 212 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1a88 h LYS 212 CO -0.08 0.00 -0.72 0.54 -0.57 0.00 0.00 179.45 178.62 1a88 n ARG 213 N -2.87 0.06 -2.54 3.15 1.74 -0.37 -4.89 116.66 110.94 1a88 n ARG 213 Ca 0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 1a88 n ARG 213 Cb 0.30 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 -3.04 4.46 -0.27 0.55 1.01 -1.15 -4.88 121.20 117.88 1a88 s ILE 214 Ca 0.09 1.76 0.03 0.00 0.00 0.00 0.00 60.65 62.53 1a88 s ILE 214 Cb 0.16 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1a88 s ILE 214 CO 0.76 -0.03 0.88 -0.90 0.00 0.00 0.00 174.94 175.65 1a88 n ASP 215 N 5.36 1.84 -4.90 3.58 5.68 -1.26 -4.28 116.55 122.57 1a88 n ASP 215 Ca 0.11 -1.66 -0.28 0.00 -0.50 0.00 0.00 54.79 52.45 1a88 n ASP 215 Cb 0.47 -0.03 0.02 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.70 4.36 0.31 2.12 -7.23 -1.26 -4.77 120.40 113.23 1a88 s VAL 216 Ca 0.05 0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 1a88 s VAL 216 Cb 0.03 -3.71 -0.11 0.00 0.56 0.00 0.00 36.38 33.14 1a88 s VAL 216 CO 0.04 -0.81 1.59 -2.65 -0.31 0.00 0.00 175.10 172.96 1a88 n PRO 217 N -2.57 2.71 -4.37 4.82 -0.02 -1.26 -4.57 135.00 129.74 1a88 n PRO 217 Ca 0.04 0.96 -0.23 0.00 -2.02 0.00 0.00 63.50 62.25 1a88 n PRO 217 Cb 0.56 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 1a88 n PRO 217 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a88 s VAL 218 N -0.17 0.89 -0.20 -1.45 1.01 -0.32 -2.12 120.40 118.04 1a88 s VAL 218 Ca 0.62 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1a88 s VAL 218 Cb -0.49 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1a88 s VAL 218 CO 0.51 0.30 0.20 -0.22 0.00 0.00 0.00 175.10 175.89 1a88 s LEU 219 N 0.83 4.19 -0.33 3.92 2.96 -0.21 -1.81 118.68 128.23 1a88 s LEU 219 Ca -0.12 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1a88 s LEU 219 Cb -0.15 -2.20 0.06 0.00 0.50 0.00 0.00 46.19 44.40 1a88 s LEU 219 CO 0.02 0.11 0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 1a88 s VAL 220 N 0.67 3.15 -0.07 1.68 1.01 0.18 -0.52 120.40 126.50 1a88 s VAL 220 Ca 0.11 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.62 1a88 s VAL 220 Cb -0.12 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1a88 s VAL 220 CO 0.02 -0.25 -0.19 0.00 0.00 0.00 0.00 175.10 174.68 1a88 s ALA 221 N 1.24 2.42 -0.25 5.51 0.00 -0.34 -0.61 121.76 129.74 1a88 s ALA 221 Ca -0.02 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 1a88 s ALA 221 Cb -0.20 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.11 1a88 s ALA 221 CO -0.01 0.44 0.66 -1.58 0.00 0.00 0.00 175.76 175.26 1a88 s HIS 222 N -0.28 -0.72 0.21 0.00 2.46 -0.81 -0.40 115.29 115.74 1a88 s HIS 222 Ca 0.01 1.76 -0.26 0.00 0.47 0.00 0.00 55.06 57.04 1a88 s HIS 222 Cb -0.13 0.25 -0.08 0.00 -0.13 0.00 0.00 32.58 32.49 1a88 s HIS 222 CO 0.03 -0.35 0.83 0.20 -2.47 0.00 0.00 174.74 172.98 1a88 s GLY 223 N 0.37 2.93 0.32 1.59 0.00 -1.26 -0.78 107.32 110.48 1a88 s GLY 223 Ca -0.00 0.43 0.25 0.00 0.00 0.00 0.00 44.72 45.40 1a88 s GLY 223 CO 0.01 0.93 1.72 -0.91 0.00 0.00 0.00 173.10 174.84 1a88 h THR 224 N 3.14 0.00 -1.06 0.90 1.35 -0.93 -3.25 112.91 113.07 1a88 h THR 224 Ca -0.47 -0.67 -0.64 0.00 -0.55 0.00 0.00 66.41 64.08 1a88 h THR 224 Cb 1.20 1.66 -0.35 0.00 -1.73 0.00 0.00 68.15 68.93 1a88 h THR 224 CO 0.66 0.00 0.17 -0.67 -0.25 0.00 0.00 175.52 175.44 1a88 n ASP 225 N -2.64 6.48 -4.62 5.36 2.03 -0.93 -4.72 116.55 117.51 1a88 n ASP 225 Ca 0.04 -3.78 -0.43 0.00 0.52 0.00 0.00 54.79 51.15 1a88 n ASP 225 Cb 0.45 -0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 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 -2.51 6.51 0.00 1.67 -1.08 -1.22 -4.39 116.67 115.66 1a88 s ASP 226 Ca 0.57 1.14 0.25 0.00 -0.52 0.00 0.00 52.55 54.00 1a88 s ASP 226 Cb 0.46 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 40.18 1a88 s ASP 226 CO -0.05 -1.23 1.60 0.00 0.52 0.00 0.00 175.17 176.01 1a88 n GLN 227 N 7.62 1.84 -0.07 4.34 6.02 -1.26 -4.06 117.38 131.80 1a88 n GLN 227 Ca 0.16 -1.23 -0.15 0.00 -0.01 0.00 0.00 57.00 55.76 1a88 n GLN 227 Cb 0.47 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 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 0.48 0.82 -3.96 5.09 0.31 -1.26 -4.87 118.33 114.94 1a88 n VAL 228 Ca 0.18 -0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 63.98 1a88 n VAL 228 Cb 0.40 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.28 2.49 0.06 2.52 1.01 -1.26 -5.09 120.40 117.85 1a88 s VAL 229 Ca -0.21 -3.09 -0.37 0.00 0.00 0.00 0.00 61.98 58.31 1a88 s VAL 229 Cb 0.08 -2.75 -0.17 0.00 0.00 0.00 0.00 36.38 33.53 1a88 s VAL 229 CO 0.27 -0.76 1.29 -2.65 0.00 0.00 0.00 175.10 173.25 1a88 n PRO 230 N 3.37 0.90 0.11 2.72 -0.02 -1.26 -4.76 135.00 136.05 1a88 n PRO 230 Ca 0.05 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1a88 n PRO 230 Cb 0.34 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 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 4.25 -0.71 -0.49 6.00 3.20 -1.81 -3.13 116.97 124.28 1a88 h TYR 231 Ca -0.48 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.48 1a88 h TYR 231 Cb 1.36 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.90 1a88 h TYR 231 CO 0.59 -0.37 0.33 0.00 -1.64 0.00 0.00 178.16 177.08 1a88 h ALA 232 N 0.27 2.03 -0.01 1.82 0.00 -1.93 -0.71 119.26 120.73 1a88 h ALA 232 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a88 h ALA 232 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a88 h ALA 232 CO -0.16 -0.13 -0.07 -3.47 0.00 0.00 0.00 179.25 175.42 1a88 n ASP 233 N -4.47 1.39 0.00 0.00 2.03 -1.19 -4.56 116.55 109.75 1a88 n ASP 233 Ca 0.07 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.05 1a88 n ASP 233 Cb 0.32 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.04 1.18 -0.11 -1.67 0.00 -0.30 -4.33 120.51 115.24 1a88 n ALA 234 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1a88 n ALA 234 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 0.11 -0.21 -0.91 0.00 0.00 -1.72 0.06 119.26 116.59 1a88 h ALA 235 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a88 h ALA 235 Cb 0.00 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1a88 h ALA 235 CO 0.00 -0.74 0.60 -1.35 0.00 0.00 0.00 179.25 177.76 1a88 h PRO 236 N -0.27 1.12 -0.28 0.00 0.11 -1.83 0.08 132.00 130.94 1a88 h PRO 236 Ca 0.16 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1a88 h PRO 236 Cb 0.54 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1a88 h PRO 236 CO -0.52 0.74 -0.48 0.87 -0.21 0.00 0.00 178.00 178.41 1a88 h LYS 237 N 1.16 0.75 -0.36 1.05 1.57 -1.56 -1.56 116.57 117.61 1a88 h LYS 237 Ca 0.36 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1a88 h LYS 237 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1a88 h LYS 237 CO -0.11 1.06 -0.01 0.77 -0.57 0.00 0.00 179.45 180.59 1a88 h SER 238 N 0.59 0.62 -0.68 0.86 0.02 -0.67 -2.29 113.55 112.02 1a88 h SER 238 Ca 0.03 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1a88 h SER 238 Cb 1.04 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1a88 h SER 238 CO 0.10 0.79 0.34 0.00 -1.14 0.00 0.00 176.83 176.92 1a88 h ALA 239 N 0.86 1.29 -0.61 3.77 0.00 -0.85 -1.89 119.26 121.82 1a88 h ALA 239 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1a88 h ALA 239 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1a88 h ALA 239 CO 0.02 0.56 0.04 0.93 0.00 0.00 0.00 179.25 180.79 1a88 h GLU 240 N 0.99 1.04 0.00 0.00 5.08 -1.07 -3.04 114.58 117.57 1a88 h GLU 240 Ca 0.24 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1a88 h GLU 240 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1a88 h GLU 240 CO -0.03 0.99 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.67 1a88 h LEU 241 N 0.96 0.00 -9.77 1.33 3.38 -1.01 -3.45 115.31 106.75 1a88 h LEU 241 Ca 0.18 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.64 1a88 h LEU 241 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1a88 h LEU 241 CO 0.02 0.23 0.25 -0.76 0.09 0.00 0.00 178.44 178.27 1a88 s LEU 242 N -6.49 4.55 0.09 1.67 1.43 -0.75 -4.34 118.68 114.84 1a88 s LEU 242 Ca 0.03 1.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.66 1a88 s LEU 242 Cb 0.08 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1a88 s LEU 242 CO 0.66 0.14 1.68 0.00 0.23 0.00 0.00 176.35 179.06 1a88 h ALA 243 N 4.01 0.14 -2.35 4.21 0.00 -1.81 -3.37 119.26 120.08 1a88 h ALA 243 Ca -0.46 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 1a88 h ALA 243 Cb 1.20 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.54 1a88 h ALA 243 CO 0.66 -0.32 -0.78 -1.71 0.00 0.00 0.00 179.25 177.10 1a88 n ASN 244 N -4.96 2.06 -4.56 0.00 5.15 -1.26 -5.09 115.26 106.60 1a88 n ASN 244 Ca -0.05 -3.05 -0.30 0.00 -0.60 0.00 0.00 54.58 50.58 1a88 n ASN 244 Cb 0.07 -0.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.55 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 -1.57 2.89 -0.18 5.20 0.00 -1.26 -1.17 121.76 125.68 1a88 s ALA 245 Ca 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1a88 s ALA 245 Cb 0.10 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1a88 s ALA 245 CO -0.10 0.63 -0.17 0.99 0.00 0.00 0.00 175.76 177.11 1a88 s THR 246 N -1.15 2.39 -0.19 0.00 2.01 -0.75 -4.96 115.64 112.98 1a88 s THR 246 Ca 0.20 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1a88 s THR 246 Cb -0.11 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1a88 s THR 246 CO 0.12 0.52 0.23 -0.22 -0.69 0.00 0.00 174.62 174.57 1a88 s LEU 247 N 1.19 4.19 -0.18 4.42 2.96 -1.26 -0.65 118.68 129.35 1a88 s LEU 247 Ca 0.02 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1a88 s LEU 247 Cb -0.14 -2.25 0.04 0.00 0.50 0.00 0.00 46.19 44.34 1a88 s LEU 247 CO -0.08 0.09 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.41 1a88 s LYS 248 N 0.67 1.89 -0.10 1.98 -0.14 0.22 -4.97 119.74 119.29 1a88 s LYS 248 Ca 0.12 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 53.90 1a88 s LYS 248 Cb -0.13 -2.26 -0.05 0.00 -1.68 0.00 0.00 37.83 33.71 1a88 s LYS 248 CO 0.03 -0.41 0.27 -1.12 -0.76 0.00 0.00 175.35 173.36 1a88 s SER 249 N 1.47 6.52 -0.33 2.83 0.01 -1.26 -1.93 113.70 121.01 1a88 s SER 249 Ca 0.00 0.62 0.01 0.00 1.31 0.00 0.00 55.95 57.89 1a88 s SER 249 Cb -0.16 -2.16 0.09 0.00 0.21 0.00 0.00 66.02 64.00 1a88 s SER 249 CO -0.08 0.26 0.05 -0.31 0.41 0.00 0.00 173.24 173.56 1a88 s TYR 250 N -0.43 3.55 0.01 2.43 1.51 0.04 -4.95 117.35 119.50 1a88 s TYR 250 Ca 0.18 -2.55 -0.32 0.00 -1.01 0.00 0.00 57.07 53.37 1a88 s TYR 250 Cb -0.14 -2.67 -0.11 0.00 -0.11 0.00 0.00 41.96 38.94 1a88 s TYR 250 CO 0.06 -0.92 1.90 -1.91 -1.11 0.00 0.00 175.55 173.58 1a88 n GLU 251 N 4.43 2.56 -1.00 -0.62 4.07 -1.26 -0.64 120.64 128.18 1a88 n GLU 251 Ca -0.04 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1a88 n GLU 251 Cb 0.42 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 28.97 1a88 n GLU 251 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a88 n GLY 252 N 4.40 0.45 3.90 8.31 0.00 -1.26 -4.85 105.19 116.14 1a88 n GLY 252 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 4.09 0.00 0.99 1.43 -1.03 -4.57 118.68 119.60 1a88 s LEU 253 Ca 0.00 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1a88 s LEU 253 Cb 0.00 -3.51 0.14 0.00 0.03 0.00 0.00 46.19 42.85 1a88 s LEU 253 CO 0.00 -0.16 0.90 -0.81 0.23 0.00 0.00 176.35 176.51 1a88 n PRO 254 N -0.78 -0.43 -0.01 1.29 -0.04 -1.26 -2.18 135.00 131.59 1a88 n PRO 254 Ca -0.02 -1.90 -0.01 0.00 -0.04 0.00 0.00 63.50 61.53 1a88 n PRO 254 Cb 0.54 -0.76 0.26 0.00 -0.04 0.00 0.00 33.50 33.49 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 -1.02 0.57 -0.65 0.54 -0.00 -1.78 -2.95 115.15 109.85 1a88 h HIS 255 Ca -0.29 -0.08 -0.35 0.00 -0.00 0.00 0.00 60.37 59.65 1a88 h HIS 255 Cb 0.94 -0.16 -0.20 0.00 -0.00 0.00 0.00 27.41 27.99 1a88 h HIS 255 CO 0.00 0.60 0.44 0.41 -0.00 0.00 0.00 177.93 179.38 1a88 n GLY 256 N -0.72 3.72 0.27 5.26 0.00 -0.36 -4.67 105.19 108.70 1a88 n GLY 256 Ca 0.01 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 0.74 0.00 0.00 1.61 -0.00 -1.82 -1.12 114.93 114.34 1a88 h MET 257 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.11 1a88 h MET 257 Cb 2.10 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.70 1a88 h MET 257 CO 0.75 0.06 -0.01 -0.07 -0.00 0.00 0.00 176.91 177.64 1a88 h LEU 258 N 0.00 0.00 0.00 -0.10 3.38 -1.87 0.11 115.31 116.84 1a88 h LEU 258 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1a88 h LEU 258 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1a88 h LEU 258 CO 0.01 0.01 -2.26 -1.20 0.09 0.00 0.00 178.44 175.09 1a88 n SER 259 N -3.77 0.55 0.05 -0.43 7.64 -0.46 -3.96 113.62 113.24 1a88 n SER 259 Ca -0.03 -0.01 -0.04 0.00 1.01 0.00 0.00 58.87 59.81 1a88 n SER 259 Cb 0.10 0.90 -0.09 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.00 -1.94 0.44 1.35 -1.30 -3.41 112.91 109.06 1a88 h THR 260 Ca -0.50 -2.63 -0.49 0.00 -0.55 0.00 0.00 66.41 62.25 1a88 h THR 260 Cb 2.12 2.44 -0.40 0.00 -1.73 0.00 0.00 68.15 70.57 1a88 h THR 260 CO 0.02 0.57 -1.10 1.41 -0.25 0.00 0.00 175.52 176.17 1a88 n HIS 261 N -3.13 0.97 0.22 4.73 8.25 0.38 -4.91 115.22 121.73 1a88 n HIS 261 Ca -0.07 -3.73 0.09 0.00 -0.26 0.00 0.00 57.72 53.75 1a88 n HIS 261 Cb 0.90 -0.42 0.48 0.00 1.12 0.00 0.00 29.99 32.08 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 2.99 0.00 0.00 -0.41 0.13 -1.69 -1.90 132.00 131.12 1a88 h PRO 262 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1a88 h PRO 262 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1a88 h PRO 262 CO 0.56 0.26 -0.07 1.05 -0.23 0.00 0.00 178.00 179.56 1a88 h GLU 263 N 0.00 0.00 0.02 0.86 9.09 -1.91 0.38 114.58 123.01 1a88 h GLU 263 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.18 1a88 h GLU 263 Cb 0.67 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.74 1a88 h GLU 263 CO 0.03 0.07 -1.22 0.28 0.05 0.00 0.00 179.01 178.23 1a88 h VAL 264 N 0.00 0.97 0.11 -1.06 2.07 -1.76 -3.42 116.25 113.16 1a88 h VAL 264 Ca -0.00 -2.22 -0.28 0.00 0.82 0.00 0.00 66.70 65.02 1a88 h VAL 264 Cb 0.46 2.37 0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1a88 h VAL 264 CO 0.01 0.40 -1.19 -0.07 0.02 0.00 0.00 177.57 176.74 1a88 h LEU 265 N -0.87 0.65 -0.37 2.57 -0.00 -1.26 -3.35 115.31 112.67 1a88 h LEU 265 Ca -0.32 -0.62 0.02 0.00 -0.00 0.00 0.00 57.88 56.96 1a88 h LEU 265 Cb 1.36 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1a88 h LEU 265 CO -0.15 1.45 0.19 0.78 -0.00 0.00 0.00 178.44 180.71 1a88 h ASN 266 N 0.19 0.29 -0.74 -0.43 2.35 -1.17 -1.15 115.58 114.92 1a88 h ASN 266 Ca -0.15 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1a88 h ASN 266 Cb 1.87 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 40.12 1a88 h ASN 266 CO 0.21 0.21 0.34 -0.65 -1.65 0.00 0.00 177.43 175.89 1a88 h PRO 267 N 0.40 0.52 -0.43 0.81 0.11 -1.78 -1.14 132.00 130.49 1a88 h PRO 267 Ca 0.15 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1a88 h PRO 267 Cb 0.05 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1a88 h PRO 267 CO -0.10 0.34 -0.23 -0.44 -0.21 0.00 0.00 178.00 177.36 1a88 h ASP 268 N 0.54 0.90 -0.25 -2.05 3.32 -1.64 -0.05 116.42 117.20 1a88 h ASP 268 Ca 0.38 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1a88 h ASP 268 Cb 0.49 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1a88 h ASP 268 CO -0.33 1.09 0.10 -0.07 -1.72 0.00 0.00 179.24 178.32 1a88 h LEU 269 N 0.76 0.34 -0.67 1.55 3.38 -0.87 -2.28 115.31 117.53 1a88 h LEU 269 Ca 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1a88 h LEU 269 Cb 0.78 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1a88 h LEU 269 CO 0.06 0.40 0.44 0.25 0.09 0.00 0.00 178.44 179.68 1a88 h LEU 270 N 0.25 0.75 -1.25 1.67 5.85 -1.07 -1.34 115.31 120.16 1a88 h LEU 270 Ca 0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1a88 h LEU 270 Cb 0.16 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1a88 h LEU 270 CO -0.01 0.54 -0.20 0.00 -0.34 0.00 0.00 178.44 178.43 1a88 h ALA 271 N 1.26 1.38 -0.26 1.25 0.00 -0.85 -0.06 119.26 121.98 1a88 h ALA 271 Ca 0.25 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1a88 h ALA 271 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a88 h ALA 271 CO -0.07 0.43 -0.19 0.35 0.00 0.00 0.00 179.25 179.77 1a88 h PHE 272 N 0.25 0.68 -0.12 0.00 3.57 -1.13 -2.06 116.94 118.13 1a88 h PHE 272 Ca 0.04 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 1a88 h PHE 272 Cb 0.49 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1a88 h PHE 272 CO 0.01 0.87 -0.30 0.28 -2.23 0.00 0.00 178.31 176.94 1a88 h VAL 273 N 0.30 1.26 -0.00 1.41 2.07 -0.67 -2.53 116.25 118.09 1a88 h VAL 273 Ca 0.05 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1a88 h VAL 273 Cb 0.72 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1a88 h VAL 273 CO 0.05 0.37 -0.02 0.29 0.02 0.00 0.00 177.57 178.29 1a88 n LYS 274 N -4.12 0.31 0.00 1.57 5.02 -0.09 -5.10 118.16 115.75 1a88 n LYS 274 Ca -0.01 -0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.41 1a88 n LYS 274 Cb 0.40 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.57 1a88 n LYS 274 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75