#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y97 s ALA 4 N 0.00 3.53 0.20 0.62 0.00 -1.26 -4.92 121.76 119.93 1y97 s ALA 4 Ca 0.00 1.37 -0.33 0.00 0.00 0.00 0.00 51.96 53.00 1y97 s ALA 4 Cb 0.00 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1y97 s ALA 4 CO 0.00 -0.79 1.46 -0.35 0.00 0.00 0.00 175.76 176.08 1y97 n PRO 5 N 0.72 1.99 -1.46 0.00 -0.04 -1.26 -4.97 135.00 129.99 1y97 n PRO 5 Ca 0.00 0.71 -0.29 0.00 -0.04 0.00 0.00 63.50 63.89 1y97 n PRO 5 Cb 0.41 -2.40 0.14 0.00 -0.04 0.00 0.00 33.50 31.60 1y97 n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1y97 s ARG 6 N 0.16 1.14 0.29 0.54 1.70 -1.26 -4.84 118.95 116.68 1y97 s ARG 6 Ca 0.74 0.40 -0.30 0.00 -0.47 0.00 0.00 55.73 56.10 1y97 s ARG 6 Cb -0.69 -1.83 -0.11 0.00 -0.57 0.00 0.00 34.95 31.75 1y97 s ARG 6 CO 0.45 -2.22 1.49 0.00 -1.08 0.00 0.00 175.30 173.94 1y97 s ALA 7 N -3.19 3.65 -0.19 7.88 0.00 -1.26 -4.37 121.76 124.29 1y97 s ALA 7 Ca 0.64 1.44 0.12 0.00 0.00 0.00 0.00 51.96 54.16 1y97 s ALA 7 Cb -0.16 -3.59 -0.23 0.00 0.00 0.00 0.00 23.12 19.14 1y97 s ALA 7 CO 0.54 -0.86 0.10 0.39 0.00 0.00 0.00 175.76 175.94 1y97 n GLU 8 N 1.90 0.68 -4.84 0.00 -0.58 0.53 -4.83 120.64 113.50 1y97 n GLU 8 Ca 0.06 0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.63 1y97 n GLU 8 Cb 0.39 -1.57 -0.16 0.00 -0.57 0.00 0.00 31.44 29.54 1y97 n GLU 8 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1y97 s THR 9 N -2.52 1.41 -0.24 2.62 2.01 -1.10 0.26 115.64 118.08 1y97 s THR 9 Ca -0.15 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1y97 s THR 9 Cb 0.07 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 1y97 s THR 9 CO 0.78 0.40 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.73 1y97 s PHE 10 N -0.22 3.01 -0.47 4.92 0.40 0.15 -1.11 117.98 124.66 1y97 s PHE 10 Ca 0.02 -0.99 -0.14 0.00 -0.60 0.00 0.00 56.93 55.23 1y97 s PHE 10 Cb -0.09 -2.13 0.09 0.00 0.51 0.00 0.00 43.02 41.40 1y97 s PHE 10 CO 0.01 -0.56 0.38 0.08 0.70 0.00 0.00 175.22 175.82 1y97 s VAL 11 N 1.47 4.91 -0.07 -0.44 1.01 0.44 -0.16 120.40 127.57 1y97 s VAL 11 Ca 0.05 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1y97 s VAL 11 Cb -0.15 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1y97 s VAL 11 CO -0.02 -0.63 0.95 -0.36 0.00 0.00 0.00 175.10 175.04 1y97 s PHE 12 N 1.56 3.56 0.05 5.22 0.08 0.70 -0.54 117.98 128.61 1y97 s PHE 12 Ca 0.04 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.64 1y97 s PHE 12 Cb -0.25 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 1y97 s PHE 12 CO 0.04 -0.12 -0.01 -0.48 -0.10 0.00 0.00 175.22 174.55 1y97 s LEU 13 N 1.56 2.36 0.03 -0.37 0.05 0.15 -0.29 118.68 122.17 1y97 s LEU 13 Ca 0.48 -0.88 -0.08 0.00 0.05 0.00 0.00 54.13 53.70 1y97 s LEU 13 Cb -0.19 0.25 -0.00 0.00 -2.05 0.00 0.00 46.19 44.20 1y97 s LEU 13 CO 0.21 -0.56 0.15 -0.62 -0.55 0.00 0.00 176.35 174.99 1y97 s ASP 14 N -2.65 0.08 -0.03 1.48 2.15 -0.91 -4.39 116.67 112.40 1y97 s ASP 14 Ca 0.03 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.66 1y97 s ASP 14 Cb 0.05 0.26 -0.01 0.00 -0.30 0.00 0.00 42.92 42.92 1y97 s ASP 14 CO -0.08 -0.51 -0.16 -0.76 -0.17 0.00 0.00 175.17 173.49 1y97 s LEU 15 N -1.98 1.94 -0.22 -1.34 1.43 -1.26 -1.66 118.68 115.59 1y97 s LEU 15 Ca -0.07 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1y97 s LEU 15 Cb -0.02 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 1y97 s LEU 15 CO -0.03 0.16 0.01 -1.61 0.23 0.00 0.00 176.35 175.11 1y97 s GLU 16 N -0.12 3.53 0.46 1.70 0.41 0.28 -4.95 118.70 120.02 1y97 s GLU 16 Ca 0.01 -0.55 0.02 0.00 -0.41 0.00 0.00 54.97 54.04 1y97 s GLU 16 Cb -0.09 -3.14 -0.01 0.00 -1.78 0.00 0.00 34.13 29.12 1y97 s GLU 16 CO 0.01 -0.14 0.06 0.00 -0.49 0.00 0.00 175.26 174.70 1y97 n ALA 17 N 4.70 0.49 0.86 5.21 0.00 -1.26 0.27 120.51 130.77 1y97 n ALA 17 Ca -0.17 -2.16 0.12 0.00 0.00 0.00 0.00 53.44 51.23 1y97 n ALA 17 Cb 0.51 1.30 0.32 0.00 0.00 0.00 0.00 19.45 21.58 1y97 n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1y97 n THR 18 N -1.10 0.14 -3.08 0.00 -2.24 -0.80 -4.86 114.28 102.34 1y97 n THR 18 Ca -0.14 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1y97 n THR 18 Cb 0.62 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1y97 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y97 n GLY 19 N 1.44 -1.30 3.81 3.38 0.00 -1.26 -0.73 105.19 110.53 1y97 n GLY 19 Ca 0.05 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1y97 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y97 s LEU 20 N 0.00 2.85 0.36 0.99 1.43 -1.26 -4.57 118.68 118.47 1y97 s LEU 20 Ca 0.00 1.45 0.16 0.00 -1.03 0.00 0.00 54.13 54.71 1y97 s LEU 20 Cb 0.00 -4.19 1.10 0.00 0.03 0.00 0.00 46.19 43.14 1y97 s LEU 20 CO 0.00 -1.72 1.68 -0.65 0.23 0.00 0.00 176.35 175.89 1y97 h PRO 21 N -0.91 0.33 -0.20 1.29 0.11 -1.98 -2.00 132.00 128.64 1y97 h PRO 21 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1y97 h PRO 21 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1y97 h PRO 21 CO 0.58 0.22 0.14 0.66 -0.21 0.00 0.00 178.00 179.39 1y97 h SER 22 N 0.34 0.02 0.25 -2.05 4.64 -2.02 0.31 113.55 115.04 1y97 h SER 22 Ca 0.71 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1y97 h SER 22 Cb 1.69 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1y97 h SER 22 CO -0.52 0.01 -0.04 1.33 -0.87 0.00 0.00 176.83 176.74 1y97 n VAL 23 N -4.48 0.00 -3.04 0.95 0.24 -0.75 -4.94 118.33 106.31 1y97 n VAL 23 Ca 0.02 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1y97 n VAL 23 Cb 0.27 -0.23 0.06 0.00 -1.47 0.00 0.00 33.84 32.47 1y97 n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1y97 n GLU 24 N -0.91 -2.63 -0.81 7.34 1.02 0.10 -4.97 120.64 119.79 1y97 n GLU 24 Ca 0.18 0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 57.73 1y97 n GLU 24 Cb 0.23 -5.24 0.13 0.00 -0.02 0.00 0.00 31.44 26.54 1y97 n GLU 24 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1y97 n PRO 25 N -3.11 -0.27 -4.59 3.49 -0.04 -1.26 -5.03 135.00 124.19 1y97 n PRO 25 Ca -0.10 -0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 1y97 n PRO 25 Cb 0.61 -2.03 -0.14 0.00 -0.04 0.00 0.00 33.50 31.90 1y97 n PRO 25 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y97 s GLU 26 N -3.88 1.25 0.22 0.54 2.02 -1.26 -4.88 118.70 112.70 1y97 s GLU 26 Ca 0.61 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1y97 s GLU 26 Cb -0.23 -1.29 -0.10 0.00 0.10 0.00 0.00 34.13 32.61 1y97 s GLU 26 CO 0.63 0.33 1.43 0.42 0.02 0.00 0.00 175.26 178.10 1y97 s ILE 27 N -0.71 2.81 -0.02 -1.63 1.01 -1.26 -1.90 121.20 119.49 1y97 s ILE 27 Ca 0.05 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.40 1y97 s ILE 27 Cb -0.08 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1y97 s ILE 27 CO 0.01 0.09 0.08 0.00 0.00 0.00 0.00 174.94 175.12 1y97 n ALA 28 N 2.75 2.08 -3.58 9.38 0.00 0.14 -4.43 120.51 126.85 1y97 n ALA 28 Ca 0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1y97 n ALA 28 Cb 0.41 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 1y97 n ALA 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y97 s GLU 29 N -2.28 0.49 -0.01 0.00 2.12 -0.91 -4.39 118.70 113.72 1y97 s GLU 29 Ca -0.02 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.14 1y97 s GLU 29 Cb 0.03 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 1y97 s GLU 29 CO 0.21 -0.13 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.52 1y97 s LEU 30 N 1.03 1.96 -0.01 2.70 0.20 0.33 -0.56 118.68 124.34 1y97 s LEU 30 Ca -0.06 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.56 1y97 s LEU 30 Cb -0.06 -0.61 -0.00 0.00 -0.43 0.00 0.00 46.19 45.08 1y97 s LEU 30 CO -0.09 0.13 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.48 1y97 s SER 31 N -0.15 0.77 -0.07 3.68 0.15 -0.66 -0.85 113.70 116.56 1y97 s SER 31 Ca 0.02 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1y97 s SER 31 Cb -0.06 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1y97 s SER 31 CO -0.00 0.06 -0.11 -0.76 1.20 0.00 0.00 173.24 173.64 1y97 s LEU 32 N -0.03 1.54 -0.21 3.45 1.02 0.81 -2.13 118.68 123.13 1y97 s LEU 32 Ca 0.01 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1y97 s LEU 32 Cb -0.04 -0.79 0.03 0.00 0.02 0.00 0.00 46.19 45.41 1y97 s LEU 32 CO -0.00 -0.00 -0.15 -0.36 0.02 0.00 0.00 176.35 175.85 1y97 s PHE 33 N 0.87 2.95 -0.35 0.29 0.40 0.60 -1.18 117.98 121.57 1y97 s PHE 33 Ca -0.11 -1.81 -0.13 0.00 -0.60 0.00 0.00 56.93 54.29 1y97 s PHE 33 Cb -0.15 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 1y97 s PHE 33 CO 0.01 -0.81 0.24 0.00 0.70 0.00 0.00 175.22 175.36 1y97 s ALA 34 N 1.25 3.50 -0.16 5.36 0.00 0.12 -0.21 121.76 131.61 1y97 s ALA 34 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1y97 s ALA 34 Cb -0.15 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 1y97 s ALA 34 CO -0.09 -1.01 -0.15 0.08 0.00 0.00 0.00 175.76 174.58 1y97 s VAL 35 N 1.72 2.71 0.44 0.00 1.01 0.78 -2.99 120.40 124.07 1y97 s VAL 35 Ca 0.06 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1y97 s VAL 35 Cb -0.18 -2.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 1y97 s VAL 35 CO 0.10 0.51 1.22 -2.28 0.00 0.00 0.00 175.10 174.65 1y97 s HIS 36 N 0.83 2.85 0.31 5.22 2.46 -1.26 0.34 115.29 126.03 1y97 s HIS 36 Ca -0.05 1.50 0.07 0.00 0.47 0.00 0.00 55.06 57.04 1y97 s HIS 36 Cb -0.15 -3.49 0.77 0.00 -0.13 0.00 0.00 32.58 29.58 1y97 s HIS 36 CO -0.00 -1.74 1.76 -0.09 -2.47 0.00 0.00 174.74 172.21 1y97 h ARG 37 N 2.27 0.70 0.00 2.88 2.43 -0.51 -0.44 114.38 121.70 1y97 h ARG 37 Ca -0.49 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1y97 h ARG 37 Cb 1.25 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1y97 h ARG 37 CO 0.61 0.46 -0.00 0.66 -1.51 0.00 0.00 179.97 180.19 1y97 h SER 38 N 0.72 0.00 0.86 -3.80 4.64 -1.91 0.17 113.55 114.23 1y97 h SER 38 Ca 0.59 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.74 1y97 h SER 38 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1y97 h SER 38 CO -0.41 0.00 -0.82 0.28 -0.87 0.00 0.00 176.83 175.02 1y97 h SER 39 N 0.00 0.00 0.00 4.97 0.02 -1.40 -2.17 113.55 114.98 1y97 h SER 39 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1y97 h SER 39 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1y97 h SER 39 CO 0.00 0.82 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.23 1y97 h LEU 40 N 0.00 0.18 -2.36 5.07 3.38 -1.24 -3.09 115.31 117.25 1y97 h LEU 40 Ca -0.01 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.19 1y97 h LEU 40 Cb 1.47 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1y97 h LEU 40 CO 0.11 0.96 0.17 -0.33 0.09 0.00 0.00 178.44 179.43 1y97 h GLU 41 N -0.58 0.00 -2.08 1.13 5.08 -1.04 -3.32 114.58 113.77 1y97 h GLU 41 Ca -0.03 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.76 1y97 h GLU 41 Cb 0.99 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.84 1y97 h GLU 41 CO 0.04 0.00 -0.89 0.09 -1.00 0.00 0.00 179.01 177.25 1y97 n ASN 42 N -3.52 1.75 -4.48 1.42 4.13 -0.82 -5.03 115.26 108.70 1y97 n ASN 42 Ca -0.00 -3.03 -0.49 0.00 1.68 0.00 0.00 54.58 52.74 1y97 n ASN 42 Cb 0.27 -0.65 -0.04 0.00 -1.54 0.00 0.00 39.78 37.82 1y97 n ASN 42 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1y97 n PRO 43 N 1.11 0.46 -3.77 3.52 -0.02 -1.22 -4.84 135.00 130.25 1y97 n PRO 43 Ca 0.25 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 1y97 n PRO 43 Cb 0.48 -1.40 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 1y97 n PRO 43 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1y97 s GLU 44 N -0.82 3.56 0.16 -0.52 2.02 -1.26 -5.05 118.70 116.80 1y97 s GLU 44 Ca 0.69 -0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.64 1y97 s GLU 44 Cb -0.93 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1y97 s GLU 44 CO 0.56 0.61 -0.21 -1.01 0.02 0.00 0.00 175.26 175.24 1y97 s HIS 45 N -1.39 1.97 0.89 1.61 3.76 -1.26 -2.16 115.29 118.71 1y97 s HIS 45 Ca 0.31 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 1y97 s HIS 45 Cb -0.13 -1.00 0.13 0.00 1.11 0.00 0.00 32.58 32.69 1y97 s HIS 45 CO 0.19 0.36 1.10 0.34 -0.85 0.00 0.00 174.74 175.89 1y97 s ASP 46 N -2.53 3.32 0.41 1.40 2.15 0.33 -4.81 116.67 116.94 1y97 s ASP 46 Ca 0.16 1.83 0.10 0.00 0.43 0.00 0.00 52.55 55.08 1y97 s ASP 46 Cb -0.07 -2.43 0.88 0.00 -0.30 0.00 0.00 42.92 41.00 1y97 s ASP 46 CO 0.07 -2.79 1.97 -0.08 -0.17 0.00 0.00 175.17 174.17 1y97 h GLU 47 N -1.65 0.23 0.00 4.34 4.57 -2.01 0.33 114.58 120.39 1y97 h GLU 47 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1y97 h GLU 47 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1y97 h GLU 47 CO 0.49 0.31 0.00 0.77 -1.18 0.00 0.00 179.01 179.39 1y97 h SER 48 N 0.22 0.00 0.00 1.04 0.02 -2.04 -3.46 113.55 109.33 1y97 h SER 48 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1y97 h SER 48 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1y97 h SER 48 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1y97 n GLY 49 N 0.40 0.85 3.81 -3.77 0.00 0.12 -5.07 105.19 101.53 1y97 n GLY 49 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1y97 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y97 s ALA 50 N -2.06 3.22 0.45 4.61 0.00 -1.26 -4.56 121.76 122.15 1y97 s ALA 50 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1y97 s ALA 50 Cb 0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1y97 s ALA 50 CO 0.00 0.22 1.30 -0.51 0.00 0.00 0.00 175.76 176.77 1y97 s LEU 51 N -2.57 4.09 0.06 0.00 1.43 -1.26 0.12 118.68 120.55 1y97 s LEU 51 Ca 0.53 2.64 -0.00 0.00 -1.03 0.00 0.00 54.13 56.27 1y97 s LEU 51 Cb -0.14 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1y97 s LEU 51 CO 0.19 -1.04 -0.04 0.68 0.23 0.00 0.00 176.35 176.36 1y97 s VAL 52 N -1.32 0.34 0.72 -1.59 -7.23 -0.92 -4.77 120.40 105.64 1y97 s VAL 52 Ca 0.61 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.95 1y97 s VAL 52 Cb -0.37 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.24 1y97 s VAL 52 CO 0.47 -0.88 1.16 -0.76 -0.31 0.00 0.00 175.10 174.78 1y97 s LEU 53 N -2.70 3.30 0.26 1.32 1.02 -1.26 -4.35 118.68 116.27 1y97 s LEU 53 Ca 0.05 2.19 -0.30 0.00 0.02 0.00 0.00 54.13 56.09 1y97 s LEU 53 Cb 0.04 -4.57 -0.10 0.00 0.02 0.00 0.00 46.19 41.58 1y97 s LEU 53 CO -0.07 -2.08 1.42 -2.84 0.02 0.00 0.00 176.35 172.79 1y97 s PRO 54 N -4.07 4.28 0.29 1.29 0.02 -1.26 -4.89 135.00 130.66 1y97 s PRO 54 Ca 0.70 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 64.00 1y97 s PRO 54 Cb -0.25 -3.10 0.45 0.00 0.02 0.00 0.00 34.50 31.62 1y97 s PRO 54 CO 0.45 -0.39 1.95 -0.09 -0.33 0.00 0.00 177.00 178.59 1y97 h ARG 55 N 4.77 1.09 -5.18 5.54 9.65 -2.00 -3.36 114.38 124.88 1y97 h ARG 55 Ca -0.46 -0.07 -0.66 0.00 -1.10 0.00 0.00 59.98 57.69 1y97 h ARG 55 Cb 1.22 -0.25 -0.17 0.00 -1.39 0.00 0.00 29.97 29.39 1y97 h ARG 55 CO 0.76 0.72 0.21 0.08 2.80 0.00 0.00 179.97 184.54 1y97 s VAL 56 N -5.94 4.72 -0.05 0.20 1.01 -1.26 -4.99 120.40 114.08 1y97 s VAL 56 Ca -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1y97 s VAL 56 Cb 0.18 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1y97 s VAL 56 CO 0.80 -0.95 0.11 -0.22 0.00 0.00 0.00 175.10 174.84 1y97 s LEU 57 N 3.04 0.97 -0.10 3.92 2.96 -1.26 -4.69 118.68 123.51 1y97 s LEU 57 Ca 0.19 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.23 1y97 s LEU 57 Cb -0.18 0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 1y97 s LEU 57 CO 0.13 -0.12 0.18 -1.81 -1.32 0.00 0.00 176.35 173.41 1y97 s ASP 58 N 0.95 6.45 0.04 3.68 1.01 -1.16 -4.96 116.67 122.68 1y97 s ASP 58 Ca -0.07 0.54 0.03 0.00 0.71 0.00 0.00 52.55 53.75 1y97 s ASP 58 Cb -0.10 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1y97 s ASP 58 CO -0.04 0.39 -0.10 -0.54 0.21 0.00 0.00 175.17 175.09 1y97 s LYS 59 N -1.01 0.64 -0.11 8.23 1.02 -1.26 -0.70 119.74 126.55 1y97 s LYS 59 Ca 0.16 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1y97 s LYS 59 Cb -0.13 -0.51 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1y97 s LYS 59 CO 0.05 0.11 0.22 -1.17 -0.92 0.00 0.00 175.35 173.64 1y97 s LEU 60 N -1.43 -0.06 -0.09 3.17 0.20 -0.32 -4.99 118.68 115.17 1y97 s LEU 60 Ca -0.06 0.48 0.01 0.00 0.69 0.00 0.00 54.13 55.25 1y97 s LEU 60 Cb -0.09 0.54 0.02 0.00 -0.43 0.00 0.00 46.19 46.23 1y97 s LEU 60 CO 0.01 -0.22 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.86 1y97 s THR 61 N 2.13 1.01 -0.05 3.68 2.01 -1.26 -0.13 115.64 123.02 1y97 s THR 61 Ca -0.00 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1y97 s THR 61 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1y97 s THR 61 CO -0.07 0.35 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.28 1y97 s LEU 62 N 1.20 1.86 0.49 4.42 1.43 -0.03 -4.98 118.68 123.06 1y97 s LEU 62 Ca -0.05 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1y97 s LEU 62 Cb -0.14 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1y97 s LEU 62 CO -0.02 0.12 0.57 0.00 0.23 0.00 0.00 176.35 177.24 1y97 s PRO 66 N 1.64 2.38 0.06 0.00 0.04 -1.26 -3.97 135.00 133.89 1y97 s PRO 66 Ca 0.04 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1y97 s PRO 66 Cb -0.13 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 1y97 s PRO 66 CO -0.09 -1.56 1.22 0.93 0.04 0.00 0.00 177.00 177.54 1y97 h GLU 67 N -0.87 0.65 -6.62 4.56 5.08 -1.97 -3.46 114.58 111.95 1y97 h GLU 67 Ca -0.44 -0.61 -0.44 0.00 -1.00 0.00 0.00 59.36 56.87 1y97 h GLU 67 Cb 1.23 0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.67 1y97 h GLU 67 CO 0.52 1.22 -0.15 1.03 -1.00 0.00 0.00 179.01 180.62 1y97 s ARG 68 N -3.50 2.57 0.81 2.33 0.52 -1.26 -5.10 118.95 115.32 1y97 s ARG 68 Ca -0.11 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.77 1y97 s ARG 68 Cb 0.07 -2.65 0.08 0.00 0.52 0.00 0.00 34.95 32.97 1y97 s ARG 68 CO 0.88 -0.58 1.11 -1.25 0.02 0.00 0.00 175.30 175.48 1y97 s PRO 69 N -4.56 2.00 0.34 3.54 0.04 -1.26 -5.02 135.00 130.07 1y97 s PRO 69 Ca 0.58 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.91 1y97 s PRO 69 Cb -0.09 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1y97 s PRO 69 CO 0.36 -1.66 0.91 -0.06 0.04 0.00 0.00 177.00 176.59 1y97 s PHE 70 N -3.22 3.56 0.26 0.56 0.40 -1.26 -4.88 117.98 113.40 1y97 s PHE 70 Ca 0.61 1.65 -0.29 0.00 -0.60 0.00 0.00 56.93 58.30 1y97 s PHE 70 Cb -0.14 -2.84 -0.09 0.00 0.51 0.00 0.00 43.02 40.46 1y97 s PHE 70 CO 0.53 0.13 0.98 -0.08 0.70 0.00 0.00 175.22 177.48 1y97 s THR 71 N -1.79 3.95 0.19 0.64 -1.32 0.09 -4.92 115.64 112.48 1y97 s THR 71 Ca 0.53 1.91 -0.12 0.00 -1.21 0.00 0.00 61.69 62.80 1y97 s THR 71 Cb -0.15 -4.19 0.11 0.00 -1.51 0.00 0.00 72.50 66.76 1y97 s THR 71 CO 0.20 0.42 1.73 0.00 -2.21 0.00 0.00 174.62 174.76 1y97 h ALA 72 N 3.92 0.63 -0.39 11.08 0.00 -1.96 -0.50 119.26 132.04 1y97 h ALA 72 Ca -0.46 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1y97 h ALA 72 Cb 1.20 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1y97 h ALA 72 CO 0.67 -0.26 0.20 -0.22 0.00 0.00 0.00 179.25 179.65 1y97 h LYS 73 N 0.31 0.40 -0.63 0.00 1.63 -1.94 -1.70 116.57 114.64 1y97 h LYS 73 Ca 0.26 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 1y97 h LYS 73 Cb 0.32 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 1y97 h LYS 73 CO -0.30 0.26 0.37 0.00 -3.45 0.00 0.00 179.45 176.33 1y97 h ALA 74 N 1.20 0.83 -0.26 5.00 0.00 -1.59 -0.45 119.26 123.99 1y97 h ALA 74 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1y97 h ALA 74 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1y97 h ALA 74 CO -0.11 0.07 -0.13 1.03 0.00 0.00 0.00 179.25 180.11 1y97 h SER 75 N 0.70 0.41 0.08 0.00 0.87 -0.76 -1.93 113.55 112.93 1y97 h SER 75 Ca 0.27 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1y97 h SER 75 Cb 0.11 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1y97 h SER 75 CO -0.14 0.58 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.62 1y97 h GLU 76 N 0.40 -0.10 -0.19 2.24 4.81 -0.38 -1.08 114.58 120.27 1y97 h GLU 76 Ca 0.08 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1y97 h GLU 76 Cb 0.47 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1y97 h GLU 76 CO 0.03 0.40 -0.45 -0.84 -0.73 0.00 0.00 179.01 177.42 1y97 h ILE 77 N -0.68 1.31 0.00 2.32 3.07 -1.10 -3.24 117.51 119.19 1y97 h ILE 77 Ca -0.01 -1.63 -0.01 0.00 1.55 0.00 0.00 64.86 64.76 1y97 h ILE 77 Cb 0.55 1.65 -0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1y97 h ILE 77 CO 0.02 0.51 -0.19 0.71 -1.05 0.00 0.00 178.15 178.14 1y97 h THR 78 N 0.39 0.05 0.00 0.16 1.35 -1.43 -2.38 112.91 111.05 1y97 h THR 78 Ca 0.03 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1y97 h THR 78 Cb 0.94 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1y97 h THR 78 CO 0.08 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1y97 n GLY 79 N 1.12 0.82 3.88 5.82 0.00 -0.41 -4.32 105.19 112.11 1y97 n GLY 79 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1y97 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y97 s LEU 80 N 0.00 4.38 0.04 0.99 2.01 -1.22 -5.04 118.68 119.83 1y97 s LEU 80 Ca 0.00 0.57 -0.04 0.00 0.01 0.00 0.00 54.13 54.67 1y97 s LEU 80 Cb 0.00 -2.60 -0.02 0.00 0.01 0.00 0.00 46.19 43.59 1y97 s LEU 80 CO 0.00 0.28 0.06 -0.94 1.01 0.00 0.00 176.35 176.75 1y97 s SER 81 N -1.59 0.24 0.22 2.29 1.04 -1.26 -4.45 113.70 110.18 1y97 s SER 81 Ca 0.26 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 56.00 1y97 s SER 81 Cb -0.13 0.21 0.25 0.00 0.10 0.00 0.00 66.02 66.44 1y97 s SER 81 CO 0.15 -0.50 1.84 0.28 0.98 0.00 0.00 173.24 175.99 1y97 h SER 82 N 3.70 0.74 -0.11 7.02 0.02 -1.96 -1.00 113.55 121.95 1y97 h SER 82 Ca -0.33 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1y97 h SER 82 Cb 1.18 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 1y97 h SER 82 CO 0.52 0.50 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.52 1y97 h GLU 83 N 0.88 -0.13 0.14 3.45 4.81 -1.99 -0.34 114.58 121.40 1y97 h GLU 83 Ca 0.32 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1y97 h GLU 83 Cb 0.09 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1y97 h GLU 83 CO -0.14 -0.09 -0.10 0.78 -0.73 0.00 0.00 179.01 178.73 1y97 h GLY 84 N -0.13 -0.24 1.00 1.92 0.00 -1.81 0.25 103.07 104.06 1y97 h GLY 84 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1y97 h GLY 84 CO -0.19 -0.11 0.35 1.41 0.00 0.00 0.00 176.54 178.00 1y97 h LEU 85 N -0.25 0.61 -0.24 3.11 3.38 -1.03 -1.63 115.31 119.27 1y97 h LEU 85 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1y97 h LEU 85 Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y97 h LEU 85 CO -0.00 0.45 0.11 0.00 0.09 0.00 0.00 178.44 179.09 1y97 h ALA 86 N 1.19 0.31 -0.74 1.53 0.00 -0.90 -2.39 119.26 118.26 1y97 h ALA 86 Ca 0.19 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1y97 h ALA 86 Cb -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1y97 h ALA 86 CO -0.04 -0.12 0.50 -0.09 0.00 0.00 0.00 179.25 179.50 1y97 h ARG 87 N 0.25 0.38 -0.50 0.00 2.43 0.01 0.25 114.38 117.21 1y97 h ARG 87 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1y97 h ARG 87 Cb 0.14 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1y97 h ARG 87 CO -0.01 0.25 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 1y97 n ARG 89 N 0.54 -1.54 -2.31 0.00 5.12 0.88 -4.92 116.66 114.44 1y97 n ARG 89 Ca 0.13 1.02 -0.43 0.00 -1.93 0.00 0.00 57.85 56.65 1y97 n ARG 89 Cb 0.44 -5.46 -0.02 0.00 -1.16 0.00 0.00 32.46 26.26 1y97 n ARG 89 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1y97 s LYS 90 N -4.02 3.63 1.22 5.56 -0.14 -0.94 -5.00 119.74 120.05 1y97 s LYS 90 Ca 0.00 1.10 -0.20 0.00 -1.36 0.00 0.00 55.97 55.51 1y97 s LYS 90 Cb 0.00 -4.02 0.30 0.00 -1.68 0.00 0.00 37.83 32.43 1y97 s LYS 90 CO 0.00 -1.50 1.12 0.00 -0.76 0.00 0.00 175.35 174.21 1y97 s ALA 91 N 5.37 0.61 0.91 5.17 0.00 -1.26 -2.92 121.76 129.65 1y97 s ALA 91 Ca 0.63 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1y97 s ALA 91 Cb -0.16 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1y97 s ALA 91 CO 0.31 -3.65 0.26 0.41 0.00 0.00 0.00 175.76 173.09 1y97 n GLY 92 N -1.02 -0.90 3.55 0.00 0.00 -1.25 -2.09 105.19 103.48 1y97 n GLY 92 Ca 0.14 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1y97 n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y97 s PHE 93 N -1.41 1.52 0.00 1.61 5.36 -1.26 -4.85 117.98 118.94 1y97 s PHE 93 Ca 0.15 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 1y97 s PHE 93 Cb -0.00 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1y97 s PHE 93 CO 0.11 -2.36 0.00 -0.40 -1.46 0.00 0.00 175.22 171.10 1y97 n ASP 94 N 13.50 1.39 -0.20 6.13 5.68 -1.26 -4.98 116.55 136.80 1y97 n ASP 94 Ca 0.24 -0.70 0.02 0.00 -0.50 0.00 0.00 54.79 53.86 1y97 n ASP 94 Cb 0.53 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.79 1y97 n ASP 94 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1y97 h GLY 95 N 0.00 1.02 1.35 6.12 0.00 -1.99 -0.72 103.07 108.85 1y97 h GLY 95 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1y97 h GLY 95 CO 0.00 0.33 0.28 0.00 0.00 0.00 0.00 176.54 177.15 1y97 h ALA 96 N 1.56 1.37 -0.36 3.60 0.00 -1.96 0.31 119.26 123.79 1y97 h ALA 96 Ca 0.28 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1y97 h ALA 96 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1y97 h ALA 96 CO -0.07 0.49 -0.09 0.28 0.00 0.00 0.00 179.25 179.86 1y97 h VAL 97 N 0.84 1.28 -0.13 0.00 2.07 -1.52 -1.59 116.25 117.19 1y97 h VAL 97 Ca 0.21 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1y97 h VAL 97 Cb 0.09 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1y97 h VAL 97 CO -0.03 0.38 0.02 0.58 0.02 0.00 0.00 177.57 178.54 1y97 h VAL 98 N 0.49 1.23 -0.72 2.57 2.07 -0.40 -1.81 116.25 119.69 1y97 h VAL 98 Ca 0.09 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1y97 h VAL 98 Cb 0.60 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1y97 h VAL 98 CO 0.04 0.22 0.41 0.03 0.02 0.00 0.00 177.57 178.28 1y97 h ARG 99 N -0.01 0.98 -0.33 1.57 3.08 -0.45 0.92 114.38 120.13 1y97 h ARG 99 Ca 0.04 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1y97 h ARG 99 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1y97 h ARG 99 CO 0.00 0.71 0.11 1.15 -1.07 0.00 0.00 179.97 180.87 1y97 h THR 100 N 0.99 1.20 -0.59 2.04 2.02 -1.05 -1.37 112.91 116.17 1y97 h THR 100 Ca 0.26 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1y97 h THR 100 Cb 0.00 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1y97 h THR 100 CO -0.04 0.23 0.10 -0.07 0.37 0.00 0.00 175.52 176.10 1y97 h LEU 101 N 0.38 0.93 -0.36 2.58 3.38 -0.94 -0.82 115.31 120.46 1y97 h LEU 101 Ca 0.11 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1y97 h LEU 101 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y97 h LEU 101 CO -0.00 0.95 -0.13 1.56 0.09 0.00 0.00 178.44 180.91 1y97 h GLN 102 N 0.87 0.71 -0.55 1.13 4.20 -0.68 -1.55 115.11 119.24 1y97 h GLN 102 Ca 0.18 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1y97 h GLN 102 Cb 0.41 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1y97 h GLN 102 CO 0.01 0.89 0.00 0.00 -0.67 0.00 0.00 178.83 179.06 1y97 h ALA 103 N 0.80 0.74 -0.46 3.87 0.00 -1.18 0.21 119.26 123.24 1y97 h ALA 103 Ca 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1y97 h ALA 103 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1y97 h ALA 103 CO 0.04 0.56 0.26 0.35 0.00 0.00 0.00 179.25 180.46 1y97 h PHE 104 N 0.85 0.48 -0.02 0.00 3.57 -1.09 -1.63 116.94 119.10 1y97 h PHE 104 Ca 0.16 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1y97 h PHE 104 Cb 0.54 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1y97 h PHE 104 CO 0.04 0.26 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.76 1y97 h LEU 105 N 0.51 0.06 -2.31 0.59 3.38 -0.99 -2.10 115.31 114.45 1y97 h LEU 105 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1y97 h LEU 105 Cb 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1y97 h LEU 105 CO -0.10 0.60 -0.02 0.77 0.09 0.00 0.00 178.44 179.77 1y97 h SER 106 N 0.04 0.00 0.41 -0.43 4.64 0.31 0.12 113.55 118.65 1y97 h SER 106 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y97 h SER 106 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1y97 h SER 106 CO 0.08 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.60 1y97 n ARG 107 N -3.23 0.44 -4.25 4.77 5.12 -0.77 -4.83 116.66 113.92 1y97 n ARG 107 Ca -0.02 0.04 -0.35 0.00 -1.93 0.00 0.00 57.85 55.58 1y97 n ARG 107 Cb 0.17 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.89 1y97 n ARG 107 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1y97 s GLN 108 N -2.48 3.09 0.00 5.56 -1.52 0.43 -5.05 119.66 119.69 1y97 s GLN 108 Ca 0.27 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 1y97 s GLN 108 Cb 0.18 -2.89 -0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1y97 s GLN 108 CO 0.38 0.72 1.59 0.00 -0.25 0.00 0.00 175.29 177.73 1y97 s ALA 109 N -0.92 3.63 0.63 6.09 0.00 -1.26 -4.98 121.76 124.94 1y97 s ALA 109 Ca 0.14 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.19 1y97 s ALA 109 Cb -0.11 -3.69 0.11 0.00 0.00 0.00 0.00 23.12 19.42 1y97 s ALA 109 CO 0.03 -1.18 0.87 0.20 0.00 0.00 0.00 175.76 175.68 1y97 s GLY 110 N 2.65 1.70 0.60 0.00 0.00 -1.26 -2.72 107.32 108.29 1y97 s GLY 110 Ca 0.71 -2.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1y97 s GLY 110 CO 0.30 -1.63 1.26 -4.14 0.00 0.00 0.00 173.10 168.88 1y97 s PRO 111 N -4.81 2.87 -0.03 2.90 0.02 -1.26 -4.35 135.00 130.34 1y97 s PRO 111 Ca 0.64 1.96 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 1y97 s PRO 111 Cb -0.05 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1y97 s PRO 111 CO 0.41 -1.32 0.31 0.42 -0.33 0.00 0.00 177.00 176.49 1y97 s ILE 112 N -1.48 5.22 -0.24 2.83 1.01 -1.26 -0.34 121.20 126.93 1y97 s ILE 112 Ca 0.78 0.52 -0.02 0.00 0.00 0.00 0.00 60.65 61.93 1y97 s ILE 112 Cb -0.34 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1y97 s ILE 112 CO 0.37 0.53 -0.06 0.00 0.00 0.00 0.00 174.94 175.78 1y97 s LEU 114 N 1.34 4.61 -0.09 0.00 1.43 -0.04 -0.42 118.68 125.51 1y97 s LEU 114 Ca 0.01 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1y97 s LEU 114 Cb -0.16 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1y97 s LEU 114 CO -0.05 0.10 -0.11 -0.69 0.23 0.00 0.00 176.35 175.84 1y97 s VAL 115 N -0.86 1.14 -0.01 -1.59 1.01 0.29 -0.33 120.40 120.05 1y97 s VAL 115 Ca 0.43 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1y97 s VAL 115 Cb -0.25 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1y97 s VAL 115 CO 0.31 0.37 0.16 0.00 0.00 0.00 0.00 175.10 175.94 1y97 s ALA 116 N 1.18 -0.38 -0.24 5.51 0.00 -0.88 -0.67 121.76 126.27 1y97 s ALA 116 Ca -0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.66 1y97 s ALA 116 Cb -0.14 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1y97 s ALA 116 CO -0.03 -0.20 0.73 -1.58 0.00 0.00 0.00 175.76 174.68 1y97 s HIS 117 N -1.24 3.31 -0.42 0.00 2.46 -1.26 -2.43 115.29 115.70 1y97 s HIS 117 Ca -0.13 0.99 0.00 0.00 0.47 0.00 0.00 55.06 56.39 1y97 s HIS 117 Cb -0.07 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.45 1y97 s HIS 117 CO 0.02 -0.34 0.00 -1.71 -2.47 0.00 0.00 174.74 170.24 1y97 n ASN 118 N 5.75 -2.58 -0.26 9.88 5.15 -1.26 -4.84 115.26 127.10 1y97 n ASN 118 Ca 0.02 0.04 -0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1y97 n ASN 118 Cb 0.48 -1.47 0.09 0.00 -0.53 0.00 0.00 39.78 38.35 1y97 n ASN 118 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1y97 h GLY 119 N 0.00 1.04 0.95 8.20 0.00 -1.86 -1.49 103.07 109.91 1y97 h GLY 119 Ca -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1y97 h GLY 119 CO 0.13 0.27 0.40 0.74 0.00 0.00 0.00 176.54 178.09 1y97 h PHE 120 N 0.87 0.76 0.00 5.60 0.05 -1.92 -1.00 116.94 121.29 1y97 h PHE 120 Ca 0.29 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.10 1y97 h PHE 120 Cb 0.04 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 37.74 1y97 h PHE 120 CO -0.04 0.46 -0.58 -0.44 -0.18 0.00 0.00 178.31 177.53 1y97 h ASP 121 N 0.81 0.00 0.00 2.17 3.32 -1.94 -3.42 116.42 117.36 1y97 h ASP 121 Ca 0.24 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1y97 h ASP 121 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1y97 h ASP 121 CO -0.07 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1y97 n TYR 122 N -2.14 0.00 -0.20 4.55 9.36 -0.58 -4.90 117.16 123.25 1y97 n TYR 122 Ca 0.03 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.25 1y97 n TYR 122 Cb 0.44 0.20 0.10 0.00 -0.63 0.00 0.00 39.34 39.45 1y97 n TYR 122 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1y97 h ASP 123 N 0.00 0.16 0.49 2.98 5.19 -1.58 -1.37 116.42 122.29 1y97 h ASP 123 Ca 0.00 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1y97 h ASP 123 Cb 0.00 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1y97 h ASP 123 CO 0.00 0.10 -0.24 -0.26 -3.12 0.00 0.00 179.24 175.72 1y97 h PHE 124 N 0.36 -0.61 -0.76 4.55 0.05 -1.48 -0.02 116.94 119.02 1y97 h PHE 124 Ca 0.30 -0.01 0.07 0.00 3.82 0.00 0.00 57.97 62.15 1y97 h PHE 124 Cb 0.39 0.20 -0.05 0.00 2.00 0.00 0.00 35.95 38.49 1y97 h PHE 124 CO -0.19 -0.29 0.50 -1.00 -0.18 0.00 0.00 178.31 177.16 1y97 h PRO 125 N -0.99 0.76 -0.35 1.51 0.13 -1.67 0.24 132.00 131.63 1y97 h PRO 125 Ca -0.07 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1y97 h PRO 125 Cb 0.60 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1y97 h PRO 125 CO 0.11 0.50 -0.25 1.25 -0.23 0.00 0.00 178.00 179.39 1y97 h LEU 126 N 0.78 0.82 -0.25 1.56 5.85 -1.22 -0.60 115.31 122.26 1y97 h LEU 126 Ca 0.34 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1y97 h LEU 126 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1y97 h LEU 126 CO -0.12 1.09 0.07 0.25 -0.34 0.00 0.00 178.44 179.39 1y97 h LEU 127 N 0.57 0.38 -0.87 2.25 6.46 -0.22 -2.36 115.31 121.52 1y97 h LEU 127 Ca 0.07 -0.22 0.09 0.00 -0.12 0.00 0.00 57.88 57.70 1y97 h LEU 127 Cb 0.81 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.57 1y97 h LEU 127 CO 0.07 0.50 0.52 0.00 -0.62 0.00 0.00 178.44 178.91 1y97 h ALA 129 N 1.46 0.15 -0.04 0.00 0.00 -0.68 0.23 119.26 120.39 1y97 h ALA 129 Ca 0.41 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1y97 h ALA 129 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1y97 h ALA 129 CO -0.23 -0.22 -0.29 0.93 0.00 0.00 0.00 179.25 179.44 1y97 h GLU 130 N -0.01 0.06 -0.06 0.00 5.08 -1.11 -2.01 114.58 116.53 1y97 h GLU 130 Ca 0.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1y97 h GLU 130 Cb 0.24 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1y97 h GLU 130 CO -0.00 0.35 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.85 1y97 h LEU 131 N 0.06 0.49 -0.83 1.33 3.38 -1.05 -3.26 115.31 115.44 1y97 h LEU 131 Ca 0.01 -0.67 0.15 0.00 0.09 0.00 0.00 57.88 57.45 1y97 h LEU 131 Cb 0.54 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1y97 h LEU 131 CO 0.04 1.09 0.40 -0.09 0.09 0.00 0.00 178.44 179.97 1y97 h ARG 132 N -0.07 0.54 -0.83 1.13 9.65 -0.69 0.15 114.38 124.26 1y97 h ARG 132 Ca -0.04 -0.03 0.24 0.00 -1.10 0.00 0.00 59.98 59.05 1y97 h ARG 132 Cb 1.10 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.53 1y97 h ARG 132 CO 0.09 0.36 0.61 -0.09 2.80 0.00 0.00 179.97 183.74 1y97 h ARG 133 N 0.56 0.00 -0.42 0.20 9.65 -1.41 0.11 114.38 123.08 1y97 h ARG 133 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 1y97 h ARG 133 Cb 0.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1y97 h ARG 133 CO -0.39 0.00 0.00 1.28 2.80 0.00 0.00 179.97 183.66 1y97 n LEU 134 N -4.23 3.26 -0.79 3.80 4.77 0.45 -4.95 117.00 119.31 1y97 n LEU 134 Ca 0.17 -2.10 -0.10 0.00 -0.03 0.00 0.00 56.01 53.94 1y97 n LEU 134 Cb 0.91 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1y97 n LEU 134 CO 0.38 0.77 -0.10 0.61 -1.33 0.00 0.00 177.39 177.72 1y97 n GLY 135 N 0.64 1.13 3.81 -0.72 0.00 0.03 -4.98 105.19 105.10 1y97 n GLY 135 Ca 0.15 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1y97 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y97 s ALA 136 N -2.24 3.20 0.16 4.61 0.00 -0.78 -4.99 121.76 121.72 1y97 s ALA 136 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1y97 s ALA 136 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1y97 s ALA 136 CO 0.00 0.21 0.05 -0.98 0.00 0.00 0.00 175.76 175.04 1y97 s ARG 137 N -2.58 1.05 0.32 0.00 1.70 -1.26 -4.35 118.95 113.83 1y97 s ARG 137 Ca 0.54 -1.52 0.08 0.00 -0.47 0.00 0.00 55.73 54.36 1y97 s ARG 137 Cb -0.14 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1y97 s ARG 137 CO 0.19 -0.24 0.12 -0.51 -1.08 0.00 0.00 175.30 173.78 1y97 s LEU 138 N -3.12 3.29 0.22 -1.89 1.43 -1.26 -5.03 118.68 112.31 1y97 s LEU 138 Ca 0.27 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 1y97 s LEU 138 Cb 0.07 -1.78 -0.16 0.00 0.03 0.00 0.00 46.19 44.35 1y97 s LEU 138 CO 0.04 -0.22 0.84 -2.65 0.23 0.00 0.00 176.35 174.60 1y97 n PRO 139 N -1.10 0.70 0.00 1.29 -0.02 -1.26 -4.80 135.00 129.81 1y97 n PRO 139 Ca -0.04 0.25 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1y97 n PRO 139 Cb 0.61 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.12 1y97 n PRO 139 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1y97 n ARG 140 N 1.06 0.32 -0.35 -0.52 5.12 -1.26 -2.47 116.66 118.55 1y97 n ARG 140 Ca 0.14 0.08 0.12 0.00 -1.93 0.00 0.00 57.85 56.26 1y97 n ARG 140 Cb 0.26 -1.50 0.31 0.00 -1.16 0.00 0.00 32.46 30.38 1y97 n ARG 140 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1y97 n ASP 141 N -1.27 3.90 -4.74 0.55 5.75 -1.26 -4.87 116.55 114.61 1y97 n ASP 141 Ca 0.10 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.47 1y97 n ASP 141 Cb 0.16 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1y97 n ASP 141 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1y97 s THR 142 N -1.03 3.04 0.42 2.12 2.01 -1.03 -4.37 115.64 116.80 1y97 s THR 142 Ca 0.48 0.84 0.06 0.00 0.31 0.00 0.00 61.69 63.38 1y97 s THR 142 Cb 0.25 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 1y97 s THR 142 CO 0.33 0.12 0.01 0.68 -0.69 0.00 0.00 174.62 175.07 1y97 s VAL 143 N 0.23 1.81 0.01 3.82 -7.23 -0.21 -0.85 120.40 117.99 1y97 s VAL 143 Ca 0.59 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1y97 s VAL 143 Cb -0.38 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 1y97 s VAL 143 CO 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 175.06 1y97 s LEU 145 N -0.68 1.37 -0.34 0.00 2.96 0.55 -1.18 118.68 121.35 1y97 s LEU 145 Ca 0.02 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1y97 s LEU 145 Cb -0.06 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.81 1y97 s LEU 145 CO 0.00 -0.06 0.14 -0.62 -1.32 0.00 0.00 176.35 174.49 1y97 s ASP 146 N 1.32 5.44 0.04 3.68 -1.08 -1.26 -2.07 116.67 122.74 1y97 s ASP 146 Ca -0.02 -0.90 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 1y97 s ASP 146 Cb -0.14 -1.94 0.67 0.00 -1.46 0.00 0.00 42.92 40.05 1y97 s ASP 146 CO -0.04 -0.29 1.50 0.35 0.52 0.00 0.00 175.17 177.20 1y97 n THR 147 N 4.91 0.98 0.06 1.71 -2.24 -1.02 -2.70 114.28 115.99 1y97 n THR 147 Ca -0.13 0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1y97 n THR 147 Cb 0.47 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.58 1y97 n THR 147 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1y97 h LEU 148 N 0.00 -0.20 -0.96 3.22 5.85 -1.93 -1.36 115.31 119.93 1y97 h LEU 148 Ca 0.00 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1y97 h LEU 148 Cb 0.27 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1y97 h LEU 148 CO 0.00 0.34 -0.45 -0.65 -0.34 0.00 0.00 178.44 177.34 1y97 h PRO 149 N -0.84 0.00 -0.13 5.25 0.11 -1.97 -1.95 132.00 132.47 1y97 h PRO 149 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1y97 h PRO 149 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1y97 h PRO 149 CO 0.04 0.45 0.04 0.00 -0.21 0.00 0.00 178.00 178.32 1y97 h ALA 150 N 1.55 0.17 -0.05 -0.75 0.00 -1.53 0.65 119.26 119.29 1y97 h ALA 150 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1y97 h ALA 150 Cb 0.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1y97 h ALA 150 CO 0.06 -0.21 -0.00 -0.07 0.00 0.00 0.00 179.25 179.03 1y97 h LEU 151 N 0.01 0.10 -1.41 0.00 3.38 -1.17 0.28 115.31 116.51 1y97 h LEU 151 Ca 0.04 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.78 1y97 h LEU 151 Cb 0.24 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1y97 h LEU 151 CO -0.00 0.39 0.49 0.03 0.09 0.00 0.00 178.44 179.44 1y97 h ARG 152 N -0.20 0.66 0.82 1.13 3.08 -1.32 0.12 114.38 118.68 1y97 h ARG 152 Ca 0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1y97 h ARG 152 Cb 0.34 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.25 1y97 h ARG 152 CO 0.00 0.44 -0.39 0.78 -1.07 0.00 0.00 179.97 179.73 1y97 h GLY 153 N 0.68 -1.15 0.09 0.04 0.00 0.93 -1.04 103.07 102.63 1y97 h GLY 153 Ca 0.34 0.43 0.19 0.00 0.00 0.00 0.00 47.33 48.28 1y97 h GLY 153 CO -0.12 -0.42 0.54 1.41 0.00 0.00 0.00 176.54 177.96 1y97 h LEU 154 N -1.23 0.67 -0.57 3.11 3.38 0.18 -2.33 115.31 118.52 1y97 h LEU 154 Ca -0.11 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1y97 h LEU 154 Cb 0.85 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1y97 h LEU 154 CO 0.19 0.22 -0.39 0.44 0.09 0.00 0.00 178.44 178.99 1y97 h ASP 155 N 0.68 0.76 0.00 -0.43 3.32 -0.65 -3.51 116.42 116.59 1y97 h ASP 155 Ca 0.55 -0.34 -0.43 0.00 0.02 0.00 0.00 57.03 56.83 1y97 h ASP 155 Cb 0.88 -0.21 0.05 0.00 0.22 0.00 0.00 39.33 40.27 1y97 h ASP 155 CO -0.40 1.06 1.92 0.54 -1.72 0.00 0.00 179.24 180.64 1y97 n ARG 156 N -4.04 1.03 -0.13 3.56 3.00 -0.40 -5.09 116.66 114.58 1y97 n ARG 156 Ca -0.02 -1.29 -0.05 0.00 -0.01 0.00 0.00 57.85 56.49 1y97 n ARG 156 Cb 0.52 -2.52 -0.01 0.00 0.00 0.00 0.00 32.46 30.46 1y97 n ARG 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1y97 n GLY 169 N 4.31 -0.06 0.11 -0.13 0.00 -1.26 -5.12 105.19 103.06 1y97 n GLY 169 Ca 0.37 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1y97 n GLY 169 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y97 n TYR 170 N 0.10 0.00 -1.21 1.61 4.02 -1.26 -4.61 117.16 115.82 1y97 n TYR 170 Ca 0.02 -0.36 -0.31 0.00 -0.01 0.00 0.00 57.90 57.23 1y97 n TYR 170 Cb 0.01 -0.06 0.10 0.00 -0.02 0.00 0.00 39.34 39.37 1y97 n TYR 170 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1y97 s SER 171 N -1.11 4.34 0.26 7.72 1.04 -1.26 -4.80 113.70 119.88 1y97 s SER 171 Ca 0.07 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.33 1y97 s SER 171 Cb 0.06 -2.52 0.50 0.00 0.10 0.00 0.00 66.02 64.16 1y97 s SER 171 CO 0.01 -2.14 1.78 -0.07 0.98 0.00 0.00 173.24 173.79 1y97 h LEU 172 N -1.20 0.58 0.79 2.42 3.38 -1.99 -1.09 115.31 118.20 1y97 h LEU 172 Ca -0.44 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1y97 h LEU 172 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1y97 h LEU 172 CO 0.51 0.27 -0.43 1.23 0.09 0.00 0.00 178.44 180.11 1y97 h GLY 173 N 0.68 -1.20 2.00 0.83 0.00 -2.00 -0.08 103.07 103.30 1y97 h GLY 173 Ca 0.45 0.47 -0.04 0.00 0.00 0.00 0.00 47.33 48.21 1y97 h GLY 173 CO -0.33 -0.43 -0.19 1.48 0.00 0.00 0.00 176.54 177.07 1y97 h SER 174 N -1.12 0.00 -0.37 0.19 4.64 -1.86 -1.59 113.55 113.44 1y97 h SER 174 Ca -0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 1y97 h SER 174 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1y97 h SER 174 CO 0.14 0.19 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.91 1y97 h LEU 175 N 0.00 0.95 -0.28 5.97 3.38 -0.95 -1.79 115.31 122.59 1y97 h LEU 175 Ca -0.00 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1y97 h LEU 175 Cb 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1y97 h LEU 175 CO 0.02 1.17 0.11 0.15 0.09 0.00 0.00 178.44 179.99 1y97 h PHE 176 N 0.76 0.43 -0.02 1.13 3.57 -0.22 -0.46 116.94 122.13 1y97 h PHE 176 Ca 0.08 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1y97 h PHE 176 Cb 0.88 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 1y97 h PHE 176 CO 0.05 0.43 -0.26 0.45 -2.23 0.00 0.00 178.31 176.76 1y97 h HIS 177 N 0.30 -0.70 -0.54 0.41 3.86 -1.22 0.20 115.15 117.47 1y97 h HIS 177 Ca 0.09 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1y97 h HIS 177 Cb 0.19 0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1y97 h HIS 177 CO -0.01 -0.35 0.35 -0.09 0.86 0.00 0.00 177.93 178.70 1y97 h ARG 178 N -0.39 0.71 0.00 2.45 2.43 -1.23 -1.61 114.38 116.74 1y97 h ARG 178 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1y97 h ARG 178 Cb 0.48 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1y97 h ARG 178 CO -0.24 0.47 -1.09 0.66 -1.51 0.00 0.00 179.97 178.26 1y97 n TYR 179 N -4.45 0.98 0.00 2.20 0.53 -0.19 -4.73 117.16 111.49 1y97 n TYR 179 Ca 0.05 0.29 0.00 0.00 -1.02 0.00 0.00 57.90 57.22 1y97 n TYR 179 Cb 0.05 -0.99 0.00 0.00 -1.03 0.00 0.00 39.34 37.37 1y97 n TYR 179 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1y97 n PHE 180 N -2.72 0.00 -0.04 -0.72 3.01 0.64 -5.07 117.46 112.56 1y97 n PHE 180 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1y97 n PHE 180 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1y97 n PHE 180 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1y97 n ARG 181 N -1.50 0.00 0.00 -1.08 0.00 -0.61 -5.05 116.66 108.42 1y97 n ARG 181 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1y97 n ARG 181 Cb 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 32.46 32.55 1y97 n ARG 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y97 n ALA 182 N -0.03 0.00 -0.93 2.89 0.00 -1.26 -5.01 120.51 116.17 1y97 n ALA 182 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1y97 n ALA 182 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1y97 n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y97 n GLU 183 N 0.00 -1.88 0.00 0.00 -0.58 -1.26 -5.03 120.64 111.89 1y97 n GLU 183 Ca 0.00 1.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.98 1y97 n GLU 183 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 1y97 n GLU 183 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1y97 n PRO 184 N -3.11 0.00 0.00 3.49 -0.04 -1.26 -5.16 135.00 128.92 1y97 n PRO 184 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1y97 n PRO 184 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1y97 n PRO 184 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1y97 n HIS 188 N 0.00 0.00 0.00 0.54 -0.00 -0.90 -5.27 115.22 109.60 1y97 n HIS 188 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y97 n HIS 188 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1y97 n HIS 188 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1y97 n SER 189 N 1.82 0.00 -0.18 0.41 2.88 -1.26 -4.82 113.62 112.47 1y97 n SER 189 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1y97 n SER 189 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1y97 n SER 189 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y97 h ALA 190 N 0.00 0.40 -0.12 -1.46 0.00 -1.90 0.35 119.26 116.52 1y97 h ALA 190 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1y97 h ALA 190 Cb 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y97 h ALA 190 CO 0.00 -0.43 0.03 1.49 0.00 0.00 0.00 179.25 180.34 1y97 h GLU 191 N 0.02 0.19 -0.48 0.00 4.81 -1.91 -1.75 114.58 115.46 1y97 h GLU 191 Ca 0.27 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.55 1y97 h GLU 191 Cb 0.42 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1y97 h GLU 191 CO -0.56 0.35 -0.12 0.78 -0.73 0.00 0.00 179.01 178.74 1y97 h GLY 192 N -0.01 0.34 1.34 1.92 0.00 -1.59 0.01 103.07 105.08 1y97 h GLY 192 Ca 0.04 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1y97 h GLY 192 CO 0.00 -0.18 0.19 -0.55 0.00 0.00 0.00 176.54 176.00 1y97 h ASP 193 N -0.00 0.78 -0.34 0.19 3.32 -0.25 -1.97 116.42 118.15 1y97 h ASP 193 Ca 0.23 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1y97 h ASP 193 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1y97 h ASP 193 CO -0.49 0.73 -0.02 0.58 -1.72 0.00 0.00 179.24 178.31 1y97 h VAL 194 N 0.83 1.27 -0.41 -1.35 2.07 -0.35 -1.50 116.25 116.81 1y97 h VAL 194 Ca 0.19 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.77 1y97 h VAL 194 Cb 0.22 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1y97 h VAL 194 CO -0.01 0.34 -0.11 -0.74 0.02 0.00 0.00 177.57 177.07 1y97 h HIS 195 N 0.42 -0.23 0.00 1.57 -0.00 -0.75 0.86 115.15 117.02 1y97 h HIS 195 Ca 0.09 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.41 1y97 h HIS 195 Cb 0.49 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1y97 h HIS 195 CO 0.04 -0.18 -0.43 0.00 -0.00 0.00 0.00 177.93 177.36 1y97 h THR 196 N -0.01 0.97 -0.36 6.26 1.03 -1.24 -2.33 112.91 117.23 1y97 h THR 196 Ca 0.20 -1.71 -0.10 0.00 -0.01 0.00 0.00 66.41 64.79 1y97 h THR 196 Cb 0.31 2.02 -0.02 0.00 -1.07 0.00 0.00 68.15 69.39 1y97 h THR 196 CO -0.42 0.42 -0.20 0.25 -0.01 0.00 0.00 175.52 175.56 1y97 h LEU 197 N 0.00 0.68 -0.15 0.00 5.85 -0.13 -1.81 115.31 119.76 1y97 h LEU 197 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1y97 h LEU 197 Cb 0.99 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1y97 h LEU 197 CO 0.06 0.88 -0.02 0.25 -0.34 0.00 0.00 178.44 179.27 1y97 h LEU 198 N 0.60 0.27 -0.51 2.25 6.46 -0.44 0.13 115.31 124.07 1y97 h LEU 198 Ca 0.09 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1y97 h LEU 198 Cb 0.67 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1y97 h LEU 198 CO 0.05 0.55 0.31 -0.07 -0.62 0.00 0.00 178.44 178.65 1y97 h LEU 199 N -0.02 0.50 -0.86 2.25 3.38 -1.38 0.34 115.31 119.53 1y97 h LEU 199 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1y97 h LEU 199 Cb 0.42 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1y97 h LEU 199 CO 0.01 0.36 0.55 0.40 0.09 0.00 0.00 178.44 179.84 1y97 h ILE 200 N 0.61 1.11 -0.34 1.22 2.04 -1.10 0.11 117.51 121.17 1y97 h ILE 200 Ca 0.20 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 1y97 h ILE 200 Cb 0.01 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1y97 h ILE 200 CO -0.08 0.19 -0.37 0.15 0.00 0.00 0.00 178.15 178.04 1y97 h PHE 201 N 1.05 0.95 -0.58 1.37 3.04 0.21 -2.53 116.94 120.44 1y97 h PHE 201 Ca 0.35 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1y97 h PHE 201 Cb 0.05 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1y97 h PHE 201 CO -0.02 1.05 0.31 -0.07 -2.02 0.00 0.00 178.31 177.55 1y97 h LEU 202 N 0.66 0.72 -1.49 0.59 -0.00 0.65 0.78 115.31 117.22 1y97 h LEU 202 Ca 0.06 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1y97 h LEU 202 Cb 0.92 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 1y97 h LEU 202 CO 0.08 0.59 -0.19 -0.74 -0.00 0.00 0.00 178.44 178.19 1y97 h HIS 203 N 0.81 0.10 -1.08 1.13 2.76 -0.38 -3.10 115.15 115.38 1y97 h HIS 203 Ca 0.21 -0.01 -0.47 0.00 -2.20 0.00 0.00 60.37 57.90 1y97 h HIS 203 Cb 0.04 -0.03 -0.41 0.00 1.55 0.00 0.00 27.41 28.56 1y97 h HIS 203 CO 0.01 0.28 -0.94 0.54 -1.30 0.00 0.00 177.93 176.52 1y97 n ARG 204 N -4.27 2.56 0.00 5.26 1.74 -0.80 -4.94 116.66 116.21 1y97 n ARG 204 Ca -0.02 -3.94 -0.10 0.00 -0.77 0.00 0.00 57.85 53.02 1y97 n ARG 204 Cb 0.28 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 29.81 1y97 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y97 h ALA 205 N 2.64 0.01 -0.61 7.54 0.00 -0.79 -1.77 119.26 126.27 1y97 h ALA 205 Ca 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1y97 h ALA 205 Cb 1.15 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1y97 h ALA 205 CO 0.64 -0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.57 1y97 h ALA 206 N 1.00 0.80 -0.53 0.00 0.00 -1.87 0.45 119.26 119.11 1y97 h ALA 206 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1y97 h ALA 206 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1y97 h ALA 206 CO -0.17 0.45 0.27 0.93 0.00 0.00 0.00 179.25 180.73 1y97 h GLU 207 N 0.86 0.76 0.00 0.00 5.08 -1.92 -1.95 114.58 117.41 1y97 h GLU 207 Ca 0.20 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1y97 h GLU 207 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1y97 h GLU 207 CO -0.01 0.61 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.81 1y97 h LEU 208 N 0.72 0.00 -0.42 1.33 3.38 -1.07 -0.41 115.31 118.84 1y97 h LEU 208 Ca 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1y97 h LEU 208 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y97 h LEU 208 CO -0.03 0.72 -0.29 -0.07 0.09 0.00 0.00 178.44 178.87 1y97 h LEU 209 N 0.00 0.98 -0.30 1.67 3.38 -0.02 0.69 115.31 121.71 1y97 h LEU 209 Ca -0.01 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1y97 h LEU 209 Cb 1.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1y97 h LEU 209 CO 0.09 1.20 0.03 0.00 0.09 0.00 0.00 178.44 179.85 1y97 h ALA 210 N 0.81 0.40 -0.41 1.53 0.00 -1.24 -1.00 119.26 119.35 1y97 h ALA 210 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1y97 h ALA 210 Cb 0.88 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1y97 h ALA 210 CO 0.08 0.12 0.18 2.35 0.00 0.00 0.00 179.25 181.98 1y97 h TRP 211 N 0.32 0.34 -0.69 0.00 2.91 -0.91 -1.57 115.95 116.34 1y97 h TRP 211 Ca 0.09 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 1y97 h TRP 211 Cb 0.38 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1y97 h TRP 211 CO 0.03 0.16 0.43 0.00 -1.03 0.00 0.00 178.44 178.03 1y97 h ALA 212 N 1.23 0.88 0.00 2.65 0.00 -0.62 0.73 119.26 124.13 1y97 h ALA 212 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1y97 h ALA 212 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1y97 h ALA 212 CO -0.15 0.34 -0.28 -0.44 0.00 0.00 0.00 179.25 178.72 1y97 h ASP 213 N 0.94 0.00 0.04 0.00 3.32 -0.82 -1.43 116.42 118.46 1y97 h ASP 213 Ca 0.25 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.97 1y97 h ASP 213 Cb -0.05 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1y97 h ASP 213 CO -0.05 0.28 -1.80 1.21 -1.72 0.00 0.00 179.24 177.16 1y97 n GLU 214 N -3.86 0.64 -0.03 3.56 2.13 -0.62 -4.74 120.64 117.72 1y97 n GLU 214 Ca -0.02 0.39 0.04 0.00 0.66 0.00 0.00 57.16 58.24 1y97 n GLU 214 Cb 0.36 -1.67 0.05 0.00 0.27 0.00 0.00 31.44 30.45 1y97 n GLU 214 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1y97 n GLN 215 N -4.01 0.69 -1.66 5.31 6.02 0.25 -5.01 117.38 118.97 1y97 n GLN 215 Ca -0.37 -1.16 -0.39 0.00 -0.01 0.00 0.00 57.00 55.06 1y97 n GLN 215 Cb 0.85 -1.16 0.03 0.00 1.02 0.00 0.00 30.24 30.99 1y97 n GLN 215 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y97 n ALA 216 N 0.38 0.70 -2.68 -1.58 0.00 -0.54 -4.97 120.51 111.83 1y97 n ALA 216 Ca 0.05 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1y97 n ALA 216 Cb 0.23 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 1y97 n ALA 216 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1y97 s ARG 217 N -2.48 2.64 0.40 0.00 0.52 -0.33 -4.77 118.95 114.94 1y97 s ARG 217 Ca 0.69 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.90 1y97 s ARG 217 Cb -0.47 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1y97 s ARG 217 CO 0.52 0.58 1.28 0.20 0.02 0.00 0.00 175.30 177.90 1y97 s GLY 218 N -1.91 2.92 0.42 -3.53 0.00 -1.26 0.20 107.32 104.15 1y97 s GLY 218 Ca 0.22 1.19 0.09 0.00 0.00 0.00 0.00 44.72 46.22 1y97 s GLY 218 CO 0.14 1.76 2.05 -0.25 0.00 0.00 0.00 173.10 176.80 1y97 h TRP 219 N 2.68 0.48 0.00 1.90 2.91 -1.28 -2.45 115.95 120.18 1y97 h TRP 219 Ca -0.49 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.54 1y97 h TRP 219 Cb 1.24 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1y97 h TRP 219 CO 0.53 0.29 0.00 0.00 -1.03 0.00 0.00 178.44 178.23 1y97 n ALA 220 N -2.49 1.56 -0.29 2.65 0.00 -1.26 -1.18 120.51 119.50 1y97 n ALA 220 Ca 0.04 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1y97 n ALA 220 Cb 0.13 -1.35 0.32 0.00 0.00 0.00 0.00 19.45 18.54 1y97 n ALA 220 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1y97 n HIS 221 N -2.13 0.94 -3.23 0.00 -0.00 -0.92 -4.87 115.22 105.02 1y97 n HIS 221 Ca 0.02 -0.47 -0.39 0.00 -0.00 0.00 0.00 57.72 56.88 1y97 n HIS 221 Cb 0.19 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 1y97 n HIS 221 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1y97 s ILE 222 N -1.06 5.03 -0.02 3.57 1.01 -0.32 -5.07 121.20 124.35 1y97 s ILE 222 Ca 0.49 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 62.25 1y97 s ILE 222 Cb 0.26 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1y97 s ILE 222 CO 0.34 0.36 0.22 -1.61 0.00 0.00 0.00 174.94 174.25 1y97 s GLU 223 N 0.23 3.52 0.00 2.79 0.41 -1.26 -5.03 118.70 119.35 1y97 s GLU 223 Ca 0.30 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 1y97 s GLU 223 Cb -0.17 -3.10 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1y97 s GLU 223 CO 0.15 0.68 0.00 -0.35 -0.49 0.00 0.00 175.26 175.24 1y97 n PRO 224 N 1.18 2.42 -1.57 0.39 -0.04 -1.26 -4.38 135.00 131.74 1y97 n PRO 224 Ca -0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 1y97 n PRO 224 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 1y97 n PRO 224 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1y97 s TYR 226 N 0.00 2.87 0.12 0.54 -0.85 -1.26 -4.89 117.35 113.88 1y97 s TYR 226 Ca 0.00 1.49 -0.05 0.00 -0.52 0.00 0.00 57.07 58.00 1y97 s TYR 226 Cb 0.00 -2.98 -0.05 0.00 0.38 0.00 0.00 41.96 39.30 1y97 s TYR 226 CO 0.00 -1.44 0.35 -0.51 -1.52 0.00 0.00 175.55 172.43 1y97 s LEU 227 N -5.43 4.29 0.00 -3.49 2.01 -1.26 -4.80 118.68 110.01 1y97 s LEU 227 Ca 0.61 0.56 0.00 0.00 0.01 0.00 0.00 54.13 55.31 1y97 s LEU 227 Cb -0.16 -3.20 0.00 0.00 0.01 0.00 0.00 46.19 42.84 1y97 s LEU 227 CO 0.51 0.09 0.12 -0.81 1.01 0.00 0.00 176.35 177.26