#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y97 s GLY 0 N 0.00 2.37 0.37 0.00 0.00 -1.26 -5.24 107.32 103.56 1y97 s GLY 0 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.47 1y97 s GLY 0 CO 0.00 -0.07 0.16 -1.35 0.00 0.00 0.00 173.10 171.84 1y97 s SER 2 N -1.82 2.29 0.26 1.64 1.04 -1.26 -4.99 113.70 110.86 1y97 s SER 2 Ca 0.36 -1.65 0.14 0.00 0.48 0.00 0.00 55.95 55.28 1y97 s SER 2 Cb -0.14 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1y97 s SER 2 CO 0.19 -0.93 1.42 -0.33 0.98 0.00 0.00 173.24 174.58 1y97 h GLU 3 N 1.96 0.00 -6.51 4.02 4.39 -1.91 -3.45 114.58 113.08 1y97 h GLU 3 Ca -0.33 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.84 1y97 h GLU 3 Cb 1.26 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.95 1y97 h GLU 3 CO 0.53 0.57 1.07 0.00 -1.16 0.00 0.00 179.01 180.02 1y97 s ALA 4 N -2.93 3.76 0.53 3.43 0.00 -1.26 -4.96 121.76 120.33 1y97 s ALA 4 Ca 0.04 1.40 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 1y97 s ALA 4 Cb 0.08 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1y97 s ALA 4 CO 0.76 -1.17 1.27 -1.25 0.00 0.00 0.00 175.76 175.37 1y97 s PRO 5 N 2.58 3.27 -0.03 0.00 0.04 -1.26 -4.94 135.00 134.66 1y97 s PRO 5 Ca 0.79 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 1y97 s PRO 5 Cb -0.45 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1y97 s PRO 5 CO 0.35 -1.02 1.30 0.50 0.04 0.00 0.00 177.00 178.17 1y97 s ARG 6 N -2.93 4.32 0.28 4.56 3.52 -1.26 -4.95 118.95 122.48 1y97 s ARG 6 Ca 0.71 1.81 -0.27 0.00 -0.13 0.00 0.00 55.73 57.85 1y97 s ARG 6 Cb -0.35 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.38 1y97 s ARG 6 CO 0.41 -0.51 0.91 0.00 -0.81 0.00 0.00 175.30 175.30 1y97 s ALA 7 N 2.32 3.28 -0.10 6.12 0.00 -1.26 -4.31 121.76 127.81 1y97 s ALA 7 Ca 0.60 0.51 0.16 0.00 0.00 0.00 0.00 51.96 53.22 1y97 s ALA 7 Cb -0.28 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.47 1y97 s ALA 7 CO 0.24 0.21 0.20 0.39 0.00 0.00 0.00 175.76 176.80 1y97 n GLU 8 N 0.92 0.97 -4.69 0.00 -0.58 -0.36 -4.87 120.64 112.03 1y97 n GLU 8 Ca -0.00 -0.08 -0.23 0.00 -0.42 0.00 0.00 57.16 56.43 1y97 n GLU 8 Cb 0.49 -1.42 -0.15 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.76 1.26 -0.21 2.62 2.01 -1.03 -0.80 115.64 116.72 1y97 s THR 9 Ca -0.07 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1y97 s THR 9 Cb 0.08 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 1y97 s THR 9 CO 0.70 0.30 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.50 1y97 s PHE 10 N -0.46 2.92 -0.41 4.92 0.40 0.16 -0.44 117.98 125.07 1y97 s PHE 10 Ca 0.06 -1.07 -0.09 0.00 -0.60 0.00 0.00 56.93 55.22 1y97 s PHE 10 Cb -0.06 -2.07 0.08 0.00 0.51 0.00 0.00 43.02 41.47 1y97 s PHE 10 CO -0.00 -0.60 0.24 0.08 0.70 0.00 0.00 175.22 175.64 1y97 s VAL 11 N 1.44 4.16 0.21 -0.44 1.01 -0.01 0.20 120.40 126.96 1y97 s VAL 11 Ca 0.06 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1y97 s VAL 11 Cb -0.14 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1y97 s VAL 11 CO -0.05 -0.49 0.92 -0.36 0.00 0.00 0.00 175.10 175.12 1y97 s PHE 12 N 1.41 3.95 0.05 5.22 0.08 -0.32 -0.41 117.98 127.96 1y97 s PHE 12 Ca 0.03 1.86 -0.12 0.00 0.12 0.00 0.00 56.93 58.82 1y97 s PHE 12 Cb -0.23 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1y97 s PHE 12 CO 0.02 0.42 0.26 -0.48 -0.10 0.00 0.00 175.22 175.34 1y97 s LEU 13 N -0.96 1.09 0.02 -0.37 0.05 0.40 -1.05 118.68 117.85 1y97 s LEU 13 Ca 0.41 -0.32 -0.06 0.00 0.05 0.00 0.00 54.13 54.22 1y97 s LEU 13 Cb -0.25 1.21 -0.01 0.00 -2.05 0.00 0.00 46.19 45.09 1y97 s LEU 13 CO 0.31 -0.62 0.11 -0.62 -0.55 0.00 0.00 176.35 174.98 1y97 s ASP 14 N -2.21 0.11 -0.01 1.48 2.15 -0.85 -4.44 116.67 112.90 1y97 s ASP 14 Ca -0.03 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.63 1y97 s ASP 14 Cb -0.00 0.21 -0.02 0.00 -0.30 0.00 0.00 42.92 42.82 1y97 s ASP 14 CO -0.05 -0.44 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.56 1y97 s LEU 15 N -1.76 2.06 -0.24 -1.34 1.43 -1.26 -2.03 118.68 115.54 1y97 s LEU 15 Ca -0.10 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1y97 s LEU 15 Cb -0.05 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 1y97 s LEU 15 CO -0.02 0.22 -0.00 -1.61 0.23 0.00 0.00 176.35 175.18 1y97 s GLU 16 N -0.56 3.34 0.50 1.70 0.41 0.14 -4.96 118.70 119.27 1y97 s GLU 16 Ca 0.07 -0.66 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1y97 s GLU 16 Cb -0.08 -3.13 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 1y97 s GLU 16 CO -0.00 -0.25 0.01 0.00 -0.49 0.00 0.00 175.26 174.52 1y97 s ALA 17 N 1.50 4.02 -1.51 5.21 0.00 -1.26 0.11 121.76 129.82 1y97 s ALA 17 Ca 0.05 -0.52 0.30 0.00 0.00 0.00 0.00 51.96 51.80 1y97 s ALA 17 Cb -0.15 0.06 1.52 0.00 0.00 0.00 0.00 23.12 24.55 1y97 s ALA 17 CO -0.01 -0.04 2.05 0.25 0.00 0.00 0.00 175.76 178.01 1y97 n THR 18 N -1.23 0.00 -3.98 0.00 -2.24 -0.87 -4.85 114.28 101.10 1y97 n THR 18 Ca -0.18 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1y97 n THR 18 Cb 0.67 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.26 -0.76 3.92 3.38 0.00 -1.26 -1.41 105.19 110.31 1y97 n GLY 19 Ca 0.15 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 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 2.93 0.31 0.99 1.43 -1.26 -4.69 118.68 118.39 1y97 s LEU 20 Ca 0.00 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1y97 s LEU 20 Cb 0.00 -3.29 0.87 0.00 0.03 0.00 0.00 46.19 43.80 1y97 s LEU 20 CO 0.00 -1.44 1.68 -0.65 0.23 0.00 0.00 176.35 176.16 1y97 h PRO 21 N -0.50 0.34 0.00 1.29 0.11 -1.99 -0.43 132.00 130.81 1y97 h PRO 21 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y97 h PRO 21 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y97 h PRO 21 CO 0.61 0.22 0.06 -1.13 -0.21 0.00 0.00 178.00 177.55 1y97 n SER 22 N -5.08 0.00 -0.17 -2.05 3.41 -1.26 -0.94 113.62 107.54 1y97 n SER 22 Ca 0.26 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1y97 n SER 22 Cb 0.79 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 1y97 n SER 22 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1y97 n VAL 23 N -1.39 0.00 -3.12 -3.33 0.31 -0.17 -4.99 118.33 105.64 1y97 n VAL 23 Ca 0.00 -0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 1y97 n VAL 23 Cb 0.06 1.09 0.06 0.00 -0.91 0.00 0.00 33.84 34.14 1y97 n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1y97 n GLU 24 N -0.78 -2.07 -0.61 5.55 1.02 -0.11 -4.96 120.64 118.67 1y97 n GLU 24 Ca 0.05 0.82 -0.29 0.00 -0.02 0.00 0.00 57.16 57.71 1y97 n GLU 24 Cb 0.28 -5.52 0.22 0.00 -0.02 0.00 0.00 31.44 26.40 1y97 n GLU 24 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1y97 s PRO 25 N -4.26 -0.17 0.08 3.49 0.04 -1.26 -5.04 135.00 127.88 1y97 s PRO 25 Ca 0.42 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1y97 s PRO 25 Cb -0.05 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1y97 s PRO 25 CO 0.69 -3.30 -0.12 -1.21 0.04 0.00 0.00 177.00 173.10 1y97 s GLU 26 N -4.54 0.80 0.08 4.56 2.02 -1.26 -4.89 118.70 115.48 1y97 s GLU 26 Ca 0.68 -1.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.35 1y97 s GLU 26 Cb -0.24 -0.66 -0.06 0.00 0.10 0.00 0.00 34.13 33.27 1y97 s GLU 26 CO 0.62 0.13 1.24 0.42 0.02 0.00 0.00 175.26 177.69 1y97 s ILE 27 N -1.73 3.86 -0.05 -1.63 1.01 -1.26 -2.06 121.20 119.33 1y97 s ILE 27 Ca 0.00 1.35 0.13 0.00 0.00 0.00 0.00 60.65 62.13 1y97 s ILE 27 Cb -0.07 -3.86 -0.20 0.00 0.01 0.00 0.00 42.46 38.33 1y97 s ILE 27 CO 0.01 0.11 0.24 0.00 0.00 0.00 0.00 174.94 175.30 1y97 n ALA 28 N 3.82 2.29 -3.63 9.38 0.00 0.12 -4.57 120.51 127.92 1y97 n ALA 28 Ca 0.09 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1y97 n ALA 28 Cb 0.45 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.79 0.76 0.01 0.00 2.12 -0.96 -4.35 118.70 113.49 1y97 s GLU 29 Ca -0.05 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.33 1y97 s GLU 29 Cb 0.08 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 1y97 s GLU 29 CO 0.57 -0.11 -0.07 -0.48 -0.54 0.00 0.00 175.26 174.63 1y97 s LEU 30 N 0.77 2.09 -0.02 2.70 2.34 -0.63 0.24 118.68 126.16 1y97 s LEU 30 Ca -0.03 -0.25 0.01 0.00 0.06 0.00 0.00 54.13 53.92 1y97 s LEU 30 Cb -0.05 -0.29 0.02 0.00 -0.56 0.00 0.00 46.19 45.31 1y97 s LEU 30 CO -0.06 -0.00 -0.02 -0.55 -1.06 0.00 0.00 176.35 174.66 1y97 s SER 31 N -0.58 0.48 -0.07 1.48 0.15 -0.86 -0.69 113.70 113.61 1y97 s SER 31 Ca -0.01 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1y97 s SER 31 Cb -0.05 -0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1y97 s SER 31 CO 0.00 -0.06 -0.22 -0.76 1.20 0.00 0.00 173.24 173.40 1y97 s LEU 32 N 0.71 2.02 -0.26 3.45 1.02 0.18 -2.01 118.68 123.79 1y97 s LEU 32 Ca -0.07 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.62 1y97 s LEU 32 Cb -0.11 -1.28 0.06 0.00 0.02 0.00 0.00 46.19 44.89 1y97 s LEU 32 CO -0.01 0.19 -0.10 -0.36 0.02 0.00 0.00 176.35 176.09 1y97 s PHE 33 N 0.08 3.09 -0.26 0.29 0.40 -0.22 -1.05 117.98 120.31 1y97 s PHE 33 Ca -0.09 -2.21 -0.17 0.00 -0.60 0.00 0.00 56.93 53.86 1y97 s PHE 33 Cb -0.15 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 1y97 s PHE 33 CO 0.05 -0.86 0.46 0.00 0.70 0.00 0.00 175.22 175.57 1y97 s ALA 34 N 1.16 3.58 -0.08 5.36 0.00 0.19 -1.17 121.76 130.80 1y97 s ALA 34 Ca -0.08 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1y97 s ALA 34 Cb -0.20 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1y97 s ALA 34 CO -0.05 -0.70 -0.18 0.08 0.00 0.00 0.00 175.76 174.92 1y97 s VAL 35 N 2.19 1.54 0.29 0.00 1.01 0.13 -2.37 120.40 123.19 1y97 s VAL 35 Ca 0.19 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1y97 s VAL 35 Cb -0.16 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 1y97 s VAL 35 CO 0.09 0.44 1.09 -2.28 0.00 0.00 0.00 175.10 174.45 1y97 s HIS 36 N 0.44 3.57 0.34 5.22 2.46 -1.26 0.37 115.29 126.42 1y97 s HIS 36 Ca -0.15 1.70 0.14 0.00 0.47 0.00 0.00 55.06 57.23 1y97 s HIS 36 Cb -0.16 -3.26 1.05 0.00 -0.13 0.00 0.00 32.58 30.08 1y97 s HIS 36 CO 0.06 -0.52 1.68 -0.09 -2.47 0.00 0.00 174.74 173.39 1y97 h ARG 37 N 3.72 0.37 -0.87 2.88 2.43 -1.31 -0.33 114.38 121.28 1y97 h ARG 37 Ca -0.47 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.82 1y97 h ARG 37 Cb 1.21 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.53 1y97 h ARG 37 CO 0.67 0.24 -0.38 0.77 -1.51 0.00 0.00 179.97 179.76 1y97 h SER 38 N 0.38 -1.37 -0.30 -3.80 0.02 -1.91 -0.20 113.55 106.37 1y97 h SER 38 Ca 0.71 0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 61.88 1y97 h SER 38 Cb 1.59 0.71 -0.02 0.00 0.14 0.00 0.00 62.40 64.82 1y97 h SER 38 CO -0.57 -0.29 -0.06 0.28 -1.14 0.00 0.00 176.83 175.05 1y97 h SER 39 N -0.06 0.66 0.89 3.07 0.02 -1.37 -1.96 113.55 114.81 1y97 h SER 39 Ca 0.30 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1y97 h SER 39 Cb 0.58 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1y97 h SER 39 CO -0.89 0.77 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.19 1y97 h LEU 40 N 0.63 0.00 -0.56 5.07 3.38 -1.06 -2.64 115.31 120.14 1y97 h LEU 40 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1y97 h LEU 40 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1y97 h LEU 40 CO 0.02 0.31 -0.02 -0.62 0.09 0.00 0.00 178.44 178.22 1y97 n GLU 41 N -3.47 1.32 -2.96 1.13 1.02 -0.24 -4.33 120.64 113.11 1y97 n GLU 41 Ca -0.00 -0.56 -0.15 0.00 -0.02 0.00 0.00 57.16 56.43 1y97 n GLU 41 Cb 0.47 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1y97 n GLU 41 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1y97 n ASN 42 N -0.35 -1.42 -4.66 1.62 4.13 -0.89 -5.07 115.26 108.62 1y97 n ASN 42 Ca 0.20 -3.04 -0.44 0.00 1.68 0.00 0.00 54.58 52.98 1y97 n ASN 42 Cb 0.27 0.68 -0.02 0.00 -1.54 0.00 0.00 39.78 39.17 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 1.46 1.87 -3.65 3.52 -0.02 -1.17 -4.81 135.00 132.19 1y97 n PRO 43 Ca 0.15 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 62.02 1y97 n PRO 43 Cb 0.59 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.31 3.52 0.00 -0.52 2.02 -1.26 -5.00 118.70 116.15 1y97 s GLU 44 Ca 0.61 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1y97 s GLU 44 Cb -0.64 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1y97 s GLU 44 CO 0.58 0.36 0.00 0.72 0.02 0.00 0.00 175.26 176.94 1y97 n HIS 45 N -0.84 0.00 1.43 1.61 8.25 -1.26 -0.26 115.22 124.15 1y97 n HIS 45 Ca -0.05 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1y97 n HIS 45 Cb 0.54 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.78 1y97 n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y97 n GLY 49 N 1.47 -0.72 3.84 -1.41 0.00 -1.26 -4.75 105.19 102.37 1y97 n GLY 49 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.07 0.14 4.61 0.00 -1.26 -5.02 121.76 121.30 1y97 s ALA 50 Ca 0.06 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 1y97 s ALA 50 Cb 0.03 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1y97 s ALA 50 CO 0.05 -0.19 1.41 -1.17 0.00 0.00 0.00 175.76 175.86 1y97 s LEU 51 N -3.97 4.38 0.23 0.00 2.96 -1.26 -4.98 118.68 116.04 1y97 s LEU 51 Ca 0.59 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.95 1y97 s LEU 51 Cb -0.10 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1y97 s LEU 51 CO 0.29 -0.66 -0.05 0.68 -1.32 0.00 0.00 176.35 175.30 1y97 s VAL 52 N 0.88 1.30 0.67 1.68 -7.23 0.64 -4.95 120.40 113.40 1y97 s VAL 52 Ca 0.64 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1y97 s VAL 52 Cb -0.38 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1y97 s VAL 52 CO 0.32 -0.40 1.20 -0.76 -0.31 0.00 0.00 175.10 175.15 1y97 s LEU 53 N -3.33 3.45 0.49 1.32 1.02 -1.26 -4.24 118.68 116.13 1y97 s LEU 53 Ca 0.26 2.33 -0.24 0.00 0.02 0.00 0.00 54.13 56.51 1y97 s LEU 53 Cb 0.04 -4.59 -0.07 0.00 0.02 0.00 0.00 46.19 41.59 1y97 s LEU 53 CO 0.08 -1.95 1.36 -2.65 0.02 0.00 0.00 176.35 173.21 1y97 n PRO 54 N -2.27 1.93 -0.17 1.29 -0.02 -1.26 -4.84 135.00 129.66 1y97 n PRO 54 Ca 0.13 0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1y97 n PRO 54 Cb 0.50 -2.55 0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1y97 n PRO 54 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1y97 h ARG 55 N 1.86 0.96 -5.00 -0.52 9.65 -1.99 -3.39 114.38 115.95 1y97 h ARG 55 Ca -0.50 -0.29 -0.68 0.00 -1.10 0.00 0.00 59.98 57.41 1y97 h ARG 55 Cb 1.29 -0.10 -0.18 0.00 -1.39 0.00 0.00 29.97 29.60 1y97 h ARG 55 CO 0.59 0.95 0.00 0.08 2.80 0.00 0.00 179.97 184.39 1y97 s VAL 56 N -5.00 4.92 -0.10 0.20 1.01 -1.26 -5.01 120.40 115.15 1y97 s VAL 56 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1y97 s VAL 56 Cb 0.14 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1y97 s VAL 56 CO 0.84 -0.70 0.23 -0.22 0.00 0.00 0.00 175.10 175.25 1y97 s LEU 57 N 2.54 0.66 -0.12 3.92 2.96 -1.26 -4.67 118.68 122.72 1y97 s LEU 57 Ca 0.15 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1y97 s LEU 57 Cb -0.18 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.19 1y97 s LEU 57 CO 0.13 -0.14 0.12 -1.81 -1.32 0.00 0.00 176.35 173.33 1y97 s ASP 58 N 0.90 6.19 0.04 3.68 1.01 -1.00 -4.94 116.67 122.55 1y97 s ASP 58 Ca -0.06 0.40 0.04 0.00 0.71 0.00 0.00 52.55 53.64 1y97 s ASP 58 Cb -0.08 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 1y97 s ASP 58 CO -0.06 0.39 -0.12 -0.54 0.21 0.00 0.00 175.17 175.06 1y97 s LYS 59 N -0.93 0.77 -0.17 8.23 1.02 -1.26 0.56 119.74 127.97 1y97 s LYS 59 Ca 0.14 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 1y97 s LYS 59 Cb -0.12 -0.73 0.08 0.00 -0.52 0.00 0.00 37.83 36.55 1y97 s LYS 59 CO 0.03 0.17 0.33 -1.17 -0.92 0.00 0.00 175.35 173.80 1y97 s LEU 60 N -1.23 -0.46 -0.09 3.17 1.98 -0.22 -4.96 118.68 116.87 1y97 s LEU 60 Ca -0.01 0.67 0.02 0.00 -2.89 0.00 0.00 54.13 51.92 1y97 s LEU 60 Cb -0.08 0.97 0.01 0.00 0.66 0.00 0.00 46.19 47.76 1y97 s LEU 60 CO 0.01 -0.25 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.19 1y97 s THR 61 N 2.50 1.40 0.00 3.68 2.01 -1.26 0.49 115.64 124.47 1y97 s THR 61 Ca 0.01 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1y97 s THR 61 Cb -0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1y97 s THR 61 CO -0.11 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.37 1y97 s LEU 62 N 0.86 2.06 0.47 4.42 1.43 0.13 -4.99 118.68 123.07 1y97 s LEU 62 Ca -0.10 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1y97 s LEU 62 Cb -0.15 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1y97 s LEU 62 CO 0.01 0.08 0.23 0.00 0.23 0.00 0.00 176.35 176.90 1y97 s PRO 66 N 1.39 3.42 0.37 0.00 0.04 -1.26 -3.67 135.00 135.29 1y97 s PRO 66 Ca 0.03 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.45 1y97 s PRO 66 Cb -0.13 -2.04 0.73 0.00 0.04 0.00 0.00 34.50 33.09 1y97 s PRO 66 CO -0.09 -0.74 1.87 0.93 0.04 0.00 0.00 177.00 179.01 1y97 h GLU 67 N 0.76 0.19 -6.14 4.56 5.08 -1.99 -3.45 114.58 113.60 1y97 h GLU 67 Ca -0.48 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.25 1y97 h GLU 67 Cb 1.22 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 1y97 h GLU 67 CO 0.58 0.41 -0.65 1.03 -1.00 0.00 0.00 179.01 179.37 1y97 s ARG 68 N -4.54 2.10 0.88 2.33 0.52 -1.26 -5.12 118.95 113.87 1y97 s ARG 68 Ca -0.05 -1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 53.44 1y97 s ARG 68 Cb 0.15 -2.00 0.10 0.00 0.52 0.00 0.00 34.95 33.72 1y97 s ARG 68 CO 0.74 0.27 1.02 -0.35 0.02 0.00 0.00 175.30 176.99 1y97 n PRO 69 N -0.87 -0.22 -3.16 3.54 -0.04 -1.26 -5.00 135.00 127.99 1y97 n PRO 69 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 1y97 n PRO 69 Cb 0.60 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1y97 n PRO 69 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1y97 s PHE 70 N -2.42 3.46 0.44 0.54 0.40 -1.26 -4.90 117.98 114.24 1y97 s PHE 70 Ca 0.67 0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 57.69 1y97 s PHE 70 Cb -0.25 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 40.91 1y97 s PHE 70 CO 0.57 0.08 0.90 0.95 0.70 0.00 0.00 175.22 178.42 1y97 s THR 71 N -2.14 4.55 0.24 0.64 -4.23 -0.50 -4.92 115.64 109.28 1y97 s THR 71 Ca 0.48 1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 62.11 1y97 s THR 71 Cb -0.11 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.28 1y97 s THR 71 CO 0.28 -0.46 1.76 0.00 -0.54 0.00 0.00 174.62 175.67 1y97 h ALA 72 N 1.52 1.10 -0.37 3.99 0.00 -1.98 -1.71 119.26 121.81 1y97 h ALA 72 Ca -0.48 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1y97 h ALA 72 Cb 1.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1y97 h ALA 72 CO 0.62 -0.09 0.19 -0.22 0.00 0.00 0.00 179.25 179.74 1y97 h LYS 73 N 0.58 0.37 -0.37 0.00 1.63 -1.95 -1.20 116.57 115.63 1y97 h LYS 73 Ca 0.40 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.19 1y97 h LYS 73 Cb 0.52 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1y97 h LYS 73 CO -0.33 0.25 0.22 0.00 -3.45 0.00 0.00 179.45 176.14 1y97 h ALA 74 N 1.19 0.46 -0.94 5.00 0.00 -1.61 0.13 119.26 123.49 1y97 h ALA 74 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1y97 h ALA 74 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1y97 h ALA 74 CO -0.11 -0.11 0.61 0.77 0.00 0.00 0.00 179.25 180.42 1y97 h SER 75 N 0.46 1.09 0.25 0.00 0.02 -1.22 0.47 113.55 114.61 1y97 h SER 75 Ca 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1y97 h SER 75 Cb -0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1y97 h SER 75 CO -0.05 0.79 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.23 1y97 h GLU 76 N 1.28 -0.32 0.00 3.45 4.81 -0.54 0.65 114.58 123.91 1y97 h GLU 76 Ca 0.34 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1y97 h GLU 76 Cb -0.13 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1y97 h GLU 76 CO -0.07 -0.16 -0.21 -0.84 -0.73 0.00 0.00 179.01 177.00 1y97 h ILE 77 N -0.40 0.42 0.00 2.32 3.07 -0.60 -3.26 117.51 119.06 1y97 h ILE 77 Ca -0.03 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1y97 h ILE 77 Cb 0.31 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1y97 h ILE 77 CO 0.06 0.21 -1.38 0.35 -1.05 0.00 0.00 178.15 176.33 1y97 n THR 78 N -3.23 0.11 -1.14 0.16 -2.24 0.14 -4.71 114.28 103.38 1y97 n THR 78 Ca 0.02 -0.32 -0.05 0.00 -2.27 0.00 0.00 64.05 61.43 1y97 n THR 78 Cb 0.52 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1y97 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y97 n GLY 79 N 1.34 0.69 3.52 3.38 0.00 0.23 -4.62 105.19 109.72 1y97 n GLY 79 Ca -0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.07 2.86 0.04 0.99 1.02 -1.14 -5.03 118.68 116.35 1y97 s LEU 80 Ca 0.00 -0.30 -0.13 0.00 0.02 0.00 0.00 54.13 53.72 1y97 s LEU 80 Cb 0.00 -1.66 0.02 0.00 0.02 0.00 0.00 46.19 44.56 1y97 s LEU 80 CO 0.00 0.26 0.27 -0.94 0.02 0.00 0.00 176.35 175.97 1y97 s SER 81 N -1.45 -0.09 0.25 2.29 1.04 -1.26 -4.07 113.70 110.40 1y97 s SER 81 Ca 0.16 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 1y97 s SER 81 Cb -0.11 0.33 0.45 0.00 0.10 0.00 0.00 66.02 66.80 1y97 s SER 81 CO 0.07 -0.58 1.77 0.28 0.98 0.00 0.00 173.24 175.76 1y97 h SER 82 N 3.36 0.50 -0.22 7.02 0.02 -1.97 -0.99 113.55 121.28 1y97 h SER 82 Ca -0.32 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1y97 h SER 82 Cb 1.19 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1y97 h SER 82 CO 0.46 0.24 0.07 -0.08 -1.14 0.00 0.00 176.83 176.39 1y97 h GLU 83 N 0.62 0.34 -0.77 3.45 4.81 -1.98 0.79 114.58 121.85 1y97 h GLU 83 Ca 0.42 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1y97 h GLU 83 Cb 0.53 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1y97 h GLU 83 CO -0.32 0.42 0.46 0.78 -0.73 0.00 0.00 179.01 179.61 1y97 h GLY 84 N 0.19 1.14 1.66 1.92 0.00 -1.82 0.48 103.07 106.63 1y97 h GLY 84 Ca 0.07 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1y97 h GLY 84 CO -0.00 0.23 -0.65 1.41 0.00 0.00 0.00 176.54 177.53 1y97 h LEU 85 N 0.85 0.39 -0.18 3.11 3.38 -0.95 -2.53 115.31 119.38 1y97 h LEU 85 Ca 0.33 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1y97 h LEU 85 Cb 0.15 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1y97 h LEU 85 CO -0.16 0.94 -0.83 0.00 0.09 0.00 0.00 178.44 178.47 1y97 h ALA 86 N 1.06 0.34 -0.96 1.53 0.00 -0.23 -1.52 119.26 119.48 1y97 h ALA 86 Ca -0.01 -0.63 0.10 0.00 0.00 0.00 0.00 54.91 54.37 1y97 h ALA 86 Cb 1.19 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1y97 h ALA 86 CO 0.11 0.71 0.60 -0.09 0.00 0.00 0.00 179.25 180.58 1y97 h ARG 87 N 0.43 0.95 -0.19 0.00 2.43 -0.01 0.23 114.38 118.23 1y97 h ARG 87 Ca -0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1y97 h ARG 87 Cb 1.46 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1y97 h ARG 87 CO 0.16 0.63 0.00 0.00 -1.51 0.00 0.00 179.97 179.25 1y97 n ARG 89 N 0.08 -5.46 -3.36 0.00 1.74 0.80 -4.95 116.66 105.51 1y97 n ARG 89 Ca 0.10 0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 57.45 1y97 n ARG 89 Cb 0.20 -5.37 -0.08 0.00 -1.02 0.00 0.00 32.46 26.18 1y97 n ARG 89 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1y97 s LYS 90 N -6.02 4.08 1.19 5.56 -0.14 -0.60 -5.04 119.74 118.77 1y97 s LYS 90 Ca 0.15 0.15 -0.18 0.00 -1.36 0.00 0.00 55.97 54.73 1y97 s LYS 90 Cb -0.07 -3.61 0.28 0.00 -1.68 0.00 0.00 37.83 32.74 1y97 s LYS 90 CO 0.80 -0.20 1.07 0.00 -0.76 0.00 0.00 175.35 176.26 1y97 s ALA 91 N 1.83 0.36 0.82 5.17 0.00 -1.26 -2.99 121.76 125.69 1y97 s ALA 91 Ca 0.17 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1y97 s ALA 91 Cb -0.15 -2.98 0.13 0.00 0.00 0.00 0.00 23.12 20.12 1y97 s ALA 91 CO 0.09 -3.61 0.81 0.41 0.00 0.00 0.00 175.76 173.46 1y97 n GLY 92 N -0.48 -0.37 3.55 0.00 0.00 -1.24 -0.94 105.19 105.70 1y97 n GLY 92 Ca 0.10 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1y97 n GLY 92 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1y97 n PHE 93 N -2.85 1.50 -3.52 1.61 7.35 -1.26 -4.80 117.46 115.49 1y97 n PHE 93 Ca 0.12 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1y97 n PHE 93 Cb 0.41 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.61 1y97 n PHE 93 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1y97 n ASP 94 N 13.84 0.73 -0.32 -2.13 5.68 -1.26 -4.99 116.55 128.10 1y97 n ASP 94 Ca 0.38 -0.52 0.03 0.00 -0.50 0.00 0.00 54.79 54.18 1y97 n ASP 94 Cb 0.45 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.60 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 1.37 0.84 6.12 0.00 -1.99 -0.78 103.07 108.63 1y97 h GLY 95 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1y97 h GLY 95 CO 0.00 0.19 0.28 0.00 0.00 0.00 0.00 176.54 177.01 1y97 h ALA 96 N 1.46 0.63 -0.08 3.60 0.00 -1.95 0.57 119.26 123.49 1y97 h ALA 96 Ca 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1y97 h ALA 96 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y97 h ALA 96 CO -0.23 -0.03 0.05 0.28 0.00 0.00 0.00 179.25 179.32 1y97 h VAL 97 N 0.56 1.05 -0.82 0.00 2.07 -1.71 -1.76 116.25 115.65 1y97 h VAL 97 Ca 0.20 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1y97 h VAL 97 Cb 0.05 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1y97 h VAL 97 CO -0.11 0.05 0.53 0.58 0.02 0.00 0.00 177.57 178.64 1y97 h VAL 98 N 0.06 1.15 -0.39 2.57 2.07 -0.76 -0.61 116.25 120.35 1y97 h VAL 98 Ca 0.03 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1y97 h VAL 98 Cb 0.04 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 1y97 h VAL 98 CO -0.01 0.19 -0.19 0.03 0.02 0.00 0.00 177.57 177.62 1y97 h ARG 99 N 1.04 0.74 -0.44 1.57 3.08 -0.61 -1.33 114.38 118.44 1y97 h ARG 99 Ca 0.32 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1y97 h ARG 99 Cb -0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1y97 h ARG 99 CO -0.10 0.88 -0.17 1.15 -1.07 0.00 0.00 179.97 180.66 1y97 h THR 100 N 0.66 1.27 -0.10 2.04 2.02 -0.85 0.16 112.91 118.10 1y97 h THR 100 Ca 0.10 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1y97 h THR 100 Cb 0.68 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1y97 h THR 100 CO 0.05 0.44 0.01 -0.07 0.37 0.00 0.00 175.52 176.32 1y97 h LEU 101 N 0.74 0.16 -0.58 2.58 3.38 -0.92 -1.77 115.31 118.91 1y97 h LEU 101 Ca 0.11 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1y97 h LEU 101 Cb 0.69 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1y97 h LEU 101 CO 0.05 0.39 -0.28 1.56 0.09 0.00 0.00 178.44 180.25 1y97 h GLN 102 N -0.08 0.83 -0.42 1.13 4.20 -0.96 -0.08 115.11 119.74 1y97 h GLN 102 Ca 0.03 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1y97 h GLN 102 Cb 0.30 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1y97 h GLN 102 CO 0.00 1.01 0.14 0.00 -0.67 0.00 0.00 178.83 179.31 1y97 h ALA 103 N 0.97 0.55 -0.38 3.87 0.00 -0.69 -0.32 119.26 123.26 1y97 h ALA 103 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1y97 h ALA 103 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1y97 h ALA 103 CO 0.07 0.20 0.22 0.35 0.00 0.00 0.00 179.25 180.08 1y97 h PHE 104 N 0.54 0.51 0.00 0.00 3.57 -1.18 -1.98 116.94 118.40 1y97 h PHE 104 Ca 0.14 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1y97 h PHE 104 Cb 0.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1y97 h PHE 104 CO 0.01 0.39 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.08 1y97 h LEU 105 N 0.49 0.00 0.00 0.59 3.38 -0.80 -1.77 115.31 117.20 1y97 h LEU 105 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1y97 h LEU 105 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1y97 h LEU 105 CO -0.02 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1y97 n SER 106 N -3.99 0.00 -0.34 -0.43 3.41 -0.15 -1.85 113.62 110.27 1y97 n SER 106 Ca -0.02 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1y97 n SER 106 Cb 0.38 -0.50 0.58 0.00 -0.26 0.00 0.00 64.21 64.42 1y97 n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y97 n ARG 107 N -1.50 1.46 -4.38 4.33 5.12 -0.67 -4.85 116.66 116.18 1y97 n ARG 107 Ca 0.04 -0.68 -0.35 0.00 -1.93 0.00 0.00 57.85 54.93 1y97 n ARG 107 Cb 0.19 -1.44 -0.10 0.00 -1.16 0.00 0.00 32.46 29.95 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 -1.95 3.06 0.05 5.56 -1.52 -0.77 -5.06 119.66 119.02 1y97 s GLN 108 Ca 0.38 -0.43 -0.31 0.00 -1.95 0.00 0.00 55.36 53.05 1y97 s GLN 108 Cb 0.19 -2.80 -0.07 0.00 -0.22 0.00 0.00 33.01 30.11 1y97 s GLN 108 CO 0.31 0.64 1.54 0.00 -0.25 0.00 0.00 175.29 177.53 1y97 s ALA 109 N -0.72 3.64 0.55 6.09 0.00 -1.26 -4.99 121.76 125.08 1y97 s ALA 109 Ca 0.11 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.22 1y97 s ALA 109 Cb -0.12 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.42 1y97 s ALA 109 CO 0.02 -1.00 0.76 0.20 0.00 0.00 0.00 175.76 175.75 1y97 s GLY 110 N 2.09 1.81 1.03 0.00 0.00 -1.26 -2.87 107.32 108.12 1y97 s GLY 110 Ca 0.69 -1.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1y97 s GLY 110 CO 0.30 -1.46 1.08 -4.14 0.00 0.00 0.00 173.10 168.88 1y97 s PRO 111 N -4.67 0.16 -0.07 2.90 0.02 -1.26 -4.44 135.00 127.64 1y97 s PRO 111 Ca 0.60 0.67 0.01 0.00 0.02 0.00 0.00 61.00 62.30 1y97 s PRO 111 Cb -0.07 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 1y97 s PRO 111 CO 0.38 -2.95 -0.07 0.42 -0.33 0.00 0.00 177.00 174.45 1y97 s ILE 112 N -2.81 3.66 -0.24 2.83 1.01 -1.26 -1.22 121.20 123.16 1y97 s ILE 112 Ca 0.66 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1y97 s ILE 112 Cb -0.20 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1y97 s ILE 112 CO 0.59 0.59 -0.05 0.00 0.00 0.00 0.00 174.94 176.08 1y97 s LEU 114 N 1.41 4.57 -0.14 0.00 1.43 0.11 -0.83 118.68 125.24 1y97 s LEU 114 Ca 0.03 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1y97 s LEU 114 Cb -0.15 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1y97 s LEU 114 CO -0.04 0.00 -0.08 -0.69 0.23 0.00 0.00 176.35 175.77 1y97 s VAL 115 N -0.64 1.16 0.00 -1.59 1.01 0.45 -0.49 120.40 120.31 1y97 s VAL 115 Ca 0.45 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1y97 s VAL 115 Cb -0.26 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1y97 s VAL 115 CO 0.32 0.31 0.03 0.00 0.00 0.00 0.00 175.10 175.77 1y97 s ALA 116 N 1.64 -0.06 -0.12 5.51 0.00 -1.01 -0.46 121.76 127.26 1y97 s ALA 116 Ca 0.04 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 1y97 s ALA 116 Cb -0.13 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1y97 s ALA 116 CO -0.08 -0.12 0.91 -1.58 0.00 0.00 0.00 175.76 174.89 1y97 s HIS 117 N -0.91 3.49 -1.22 0.00 2.46 -1.26 -2.53 115.29 115.31 1y97 s HIS 117 Ca -0.10 1.44 0.00 0.00 0.47 0.00 0.00 55.06 56.87 1y97 s HIS 117 Cb -0.06 -3.08 0.00 0.00 -0.13 0.00 0.00 32.58 29.31 1y97 s HIS 117 CO -0.00 -0.19 0.00 -1.71 -2.47 0.00 0.00 174.74 170.36 1y97 n ASN 118 N 4.94 -4.33 -0.24 9.88 5.15 -1.26 -4.79 115.26 124.62 1y97 n ASN 118 Ca 0.06 0.24 0.04 0.00 -0.60 0.00 0.00 54.58 54.32 1y97 n ASN 118 Cb 0.49 -3.00 0.16 0.00 -0.53 0.00 0.00 39.78 36.90 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 0.94 1.53 8.20 0.00 -1.81 -2.03 103.07 109.90 1y97 h GLY 119 Ca -0.25 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1y97 h GLY 119 CO 0.35 -0.19 0.25 0.74 0.00 0.00 0.00 176.54 177.69 1y97 h PHE 120 N 0.25 0.36 0.00 5.60 0.05 -1.90 0.12 116.94 121.42 1y97 h PHE 120 Ca 0.39 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.19 1y97 h PHE 120 Cb 0.65 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.48 1y97 h PHE 120 CO -0.28 0.21 -1.22 -0.25 -0.18 0.00 0.00 178.31 176.60 1y97 n ASP 121 N -4.48 0.59 0.00 2.17 8.00 -1.02 -4.60 116.55 117.20 1y97 n ASP 121 Ca 0.04 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1y97 n ASP 121 Cb 0.16 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 1y97 n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y97 n TYR 122 N -1.90 0.00 -0.24 1.24 9.36 -0.79 -4.89 117.16 119.95 1y97 n TYR 122 Ca 0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.27 1y97 n TYR 122 Cb 0.43 0.11 0.15 0.00 -0.63 0.00 0.00 39.34 39.40 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 -0.18 0.06 2.98 3.45 -1.67 -1.21 116.42 119.84 1y97 h ASP 123 Ca 0.00 0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 1y97 h ASP 123 Cb 0.00 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1y97 h ASP 123 CO 0.00 -0.10 -0.03 -0.26 -1.57 0.00 0.00 179.24 177.27 1y97 h PHE 124 N 0.17 -0.08 -0.52 4.55 0.05 -1.08 0.91 116.94 120.93 1y97 h PHE 124 Ca 0.39 -0.00 -0.04 0.00 3.82 0.00 0.00 57.97 62.13 1y97 h PHE 124 Cb 0.66 0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.61 1y97 h PHE 124 CO -0.34 0.20 0.14 -1.35 -0.18 0.00 0.00 178.31 176.79 1y97 h PRO 125 N -0.36 0.79 -0.03 1.51 0.11 -1.65 0.14 132.00 132.51 1y97 h PRO 125 Ca -0.01 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1y97 h PRO 125 Cb 0.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1y97 h PRO 125 CO 0.01 0.70 0.01 1.25 -0.21 0.00 0.00 178.00 179.76 1y97 h LEU 126 N 0.77 0.04 -0.61 2.35 5.85 -1.15 0.33 115.31 122.89 1y97 h LEU 126 Ca 0.17 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1y97 h LEU 126 Cb 0.26 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1y97 h LEU 126 CO -0.01 0.25 0.34 0.25 -0.34 0.00 0.00 178.44 178.93 1y97 h LEU 127 N -0.17 0.52 -1.11 2.25 5.85 -0.54 -1.54 115.31 120.57 1y97 h LEU 127 Ca 0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1y97 h LEU 127 Cb 0.22 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1y97 h LEU 127 CO -0.00 0.35 0.60 0.00 -0.34 0.00 0.00 178.44 179.05 1y97 h ALA 129 N 1.49 -0.41 -0.60 0.00 0.00 0.58 -1.14 119.26 119.18 1y97 h ALA 129 Ca 0.39 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1y97 h ALA 129 Cb 0.15 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1y97 h ALA 129 CO -0.14 -0.60 0.21 0.93 0.00 0.00 0.00 179.25 179.65 1y97 h GLU 130 N -0.69 0.37 -0.56 0.00 4.39 -1.04 -1.72 114.58 115.34 1y97 h GLU 130 Ca -0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1y97 h GLU 130 Cb 0.48 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1y97 h GLU 130 CO 0.07 0.24 0.01 -0.07 -1.16 0.00 0.00 179.01 178.11 1y97 h LEU 131 N 0.38 0.96 -0.87 1.33 3.38 -1.19 -3.17 115.31 116.13 1y97 h LEU 131 Ca 0.30 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1y97 h LEU 131 Cb 0.38 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1y97 h LEU 131 CO -0.32 1.02 0.55 -0.09 0.09 0.00 0.00 178.44 179.70 1y97 h ARG 132 N 0.86 1.02 -0.96 1.13 9.65 -0.43 -0.06 114.38 125.59 1y97 h ARG 132 Ca 0.16 -0.06 0.23 0.00 -1.10 0.00 0.00 59.98 59.21 1y97 h ARG 132 Cb 0.53 -0.23 -0.07 0.00 -1.39 0.00 0.00 29.97 28.80 1y97 h ARG 132 CO 0.03 0.67 0.63 -0.09 2.80 0.00 0.00 179.97 184.01 1y97 h ARG 133 N 1.05 0.36 -0.08 0.20 2.43 -1.31 -0.71 114.38 116.31 1y97 h ARG 133 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1y97 h ARG 133 Cb 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1y97 h ARG 133 CO -0.14 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 1y97 n LEU 134 N -4.52 2.85 -0.32 3.80 4.77 -0.19 -4.97 117.00 118.42 1y97 n LEU 134 Ca 0.21 -1.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.06 1y97 n LEU 134 Cb 0.79 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1y97 n LEU 134 CO 0.30 0.51 -0.04 0.61 -1.33 0.00 0.00 177.39 177.44 1y97 n GLY 135 N 1.21 0.66 3.77 -0.72 0.00 -0.27 -4.99 105.19 104.83 1y97 n GLY 135 Ca 0.13 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.94 3.25 0.21 4.61 0.00 -0.78 -4.99 121.76 122.12 1y97 s ALA 136 Ca 0.00 0.79 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1y97 s ALA 136 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1y97 s ALA 136 CO 0.00 -0.16 -0.23 1.03 0.00 0.00 0.00 175.76 176.40 1y97 s ARG 137 N -1.92 1.57 0.28 0.00 0.52 -1.26 -4.62 118.95 113.51 1y97 s ARG 137 Ca 0.50 -1.57 0.06 0.00 -0.52 0.00 0.00 55.73 54.20 1y97 s ARG 137 Cb -0.27 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1y97 s ARG 137 CO 0.34 0.38 0.39 -0.51 0.02 0.00 0.00 175.30 175.93 1y97 s LEU 138 N -2.87 4.15 0.38 2.53 1.43 -1.26 -4.99 118.68 118.06 1y97 s LEU 138 Ca 0.23 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1y97 s LEU 138 Cb -0.07 -2.78 -0.13 0.00 0.03 0.00 0.00 46.19 43.24 1y97 s LEU 138 CO 0.11 -0.21 0.69 -2.65 0.23 0.00 0.00 176.35 174.52 1y97 n PRO 139 N -1.48 0.77 -1.16 1.29 -0.02 -1.26 -4.89 135.00 128.24 1y97 n PRO 139 Ca -0.05 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 1y97 n PRO 139 Cb 0.57 -1.60 0.11 0.00 -0.02 0.00 0.00 33.50 32.56 1y97 n PRO 139 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1y97 s ARG 140 N -1.60 1.86 -1.40 -0.52 1.70 -1.26 -2.85 118.95 114.89 1y97 s ARG 140 Ca 0.63 1.46 0.00 0.00 -0.47 0.00 0.00 55.73 57.35 1y97 s ARG 140 Cb -0.64 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.91 1y97 s ARG 140 CO 0.58 -1.98 0.00 -0.40 -1.08 0.00 0.00 175.30 172.42 1y97 n ASP 141 N -3.45 -4.61 -4.79 -2.89 5.68 -1.26 -4.84 116.55 100.39 1y97 n ASP 141 Ca 0.11 0.16 -0.36 0.00 -0.50 0.00 0.00 54.79 54.20 1y97 n ASP 141 Cb 0.52 -3.92 -0.06 0.00 -1.14 0.00 0.00 41.12 36.51 1y97 n ASP 141 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1y97 s THR 142 N -2.71 4.28 0.29 2.12 -4.23 -1.13 -4.39 115.64 109.87 1y97 s THR 142 Ca 0.00 1.71 0.07 0.00 -1.18 0.00 0.00 61.69 62.29 1y97 s THR 142 Cb 0.00 -3.95 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 1y97 s THR 142 CO 0.00 0.10 -0.06 0.68 -0.54 0.00 0.00 174.62 174.80 1y97 s VAL 143 N -1.66 1.74 0.01 2.29 -7.23 -0.27 -1.40 120.40 113.89 1y97 s VAL 143 Ca 0.50 -2.14 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1y97 s VAL 143 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1y97 s VAL 143 CO 0.22 -0.27 -0.23 0.00 -0.31 0.00 0.00 175.10 174.50 1y97 s LEU 145 N -0.89 1.56 -0.36 0.00 2.96 0.36 -0.96 118.68 121.35 1y97 s LEU 145 Ca 0.09 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1y97 s LEU 145 Cb -0.09 -0.77 0.07 0.00 0.50 0.00 0.00 46.19 45.90 1y97 s LEU 145 CO 0.01 0.01 0.13 -0.62 -1.32 0.00 0.00 176.35 174.55 1y97 s ASP 146 N 0.80 5.23 0.58 3.68 -1.08 -1.26 -2.41 116.67 122.20 1y97 s ASP 146 Ca -0.12 -1.53 0.39 0.00 -0.52 0.00 0.00 52.55 50.77 1y97 s ASP 146 Cb -0.15 -1.83 2.04 0.00 -1.46 0.00 0.00 42.92 41.52 1y97 s ASP 146 CO 0.02 -0.41 2.18 0.71 0.52 0.00 0.00 175.17 178.18 1y97 h THR 147 N 6.30 0.00 0.40 1.71 1.35 -1.92 -2.57 112.91 118.18 1y97 h THR 147 Ca -0.19 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1y97 h THR 147 Cb 1.06 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1y97 h THR 147 CO 0.64 0.00 -0.19 0.25 -0.25 0.00 0.00 175.52 175.97 1y97 h LEU 148 N 0.00 -0.45 -1.44 3.87 5.85 -1.93 0.11 115.31 121.32 1y97 h LEU 148 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y97 h LEU 148 Cb 0.07 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1y97 h LEU 148 CO 0.00 -0.02 0.36 -0.65 -0.34 0.00 0.00 178.44 177.79 1y97 h PRO 149 N -1.14 0.73 -0.08 5.25 0.11 -1.96 -2.28 132.00 132.63 1y97 h PRO 149 Ca -0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1y97 h PRO 149 Cb 0.42 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 1y97 h PRO 149 CO 0.09 0.49 0.03 0.00 -0.21 0.00 0.00 178.00 178.41 1y97 h ALA 150 N 1.64 0.10 -0.45 -0.75 0.00 -1.45 -0.42 119.26 117.94 1y97 h ALA 150 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1y97 h ALA 150 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1y97 h ALA 150 CO -0.04 -0.32 0.02 -0.07 0.00 0.00 0.00 179.25 178.85 1y97 h LEU 151 N -0.02 0.69 -0.82 0.00 3.38 -0.60 0.59 115.31 118.53 1y97 h LEU 151 Ca 0.03 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1y97 h LEU 151 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y97 h LEU 151 CO -0.00 0.74 -0.04 0.03 0.09 0.00 0.00 178.44 179.26 1y97 h ARG 152 N 0.69 0.84 0.03 1.13 3.08 -1.24 -0.70 114.38 118.20 1y97 h ARG 152 Ca 0.14 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1y97 h ARG 152 Cb 0.39 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1y97 h ARG 152 CO 0.01 0.87 -0.01 0.78 -1.07 0.00 0.00 179.97 180.55 1y97 h GLY 153 N 0.98 -0.04 1.06 0.04 0.00 -0.45 -0.85 103.07 103.81 1y97 h GLY 153 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.55 1y97 h GLY 153 CO 0.03 -0.02 0.46 1.41 0.00 0.00 0.00 176.54 178.43 1y97 h LEU 154 N -0.36 0.63 -0.08 3.11 3.38 -0.73 -1.63 115.31 119.63 1y97 h LEU 154 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1y97 h LEU 154 Cb 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y97 h LEU 154 CO 0.01 0.41 -1.04 0.44 0.09 0.00 0.00 178.44 178.35 1y97 h ASP 155 N 0.72 0.42 0.86 -0.43 3.32 -0.99 -2.26 116.42 118.06 1y97 h ASP 155 Ca 0.30 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1y97 h ASP 155 Cb 0.27 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1y97 h ASP 155 CO -0.10 1.22 0.00 0.54 -1.72 0.00 0.00 179.24 179.18 1y97 n ARG 156 N -3.64 0.19 0.06 3.56 3.00 -0.34 -2.02 116.66 117.48 1y97 n ARG 156 Ca -0.06 0.36 -0.18 0.00 -0.01 0.00 0.00 57.85 57.95 1y97 n ARG 156 Cb 0.90 -1.83 -0.14 0.00 0.00 0.00 0.00 32.46 31.39 1y97 n ARG 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y97 h ALA 157 N 2.35 0.25 0.00 7.54 0.00 -1.15 -3.51 119.26 124.74 1y97 h ALA 157 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 54.91 53.66 1y97 h ALA 157 Cb 0.43 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1y97 h ALA 157 CO 0.00 1.11 -1.21 0.72 0.00 0.00 0.00 179.25 179.88 1y97 n HIS 158 N -3.48 0.00 0.00 0.00 8.25 -0.85 -5.10 115.22 114.03 1y97 n HIS 158 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1y97 n HIS 158 Cb 1.05 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1y97 n HIS 158 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y97 n GLY 169 N 2.35 0.86 1.32 -1.41 0.00 -1.26 -4.99 105.19 102.06 1y97 n GLY 169 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.39 -2.53 1.61 4.01 -1.26 -4.22 117.16 116.16 1y97 n TYR 170 Ca 0.00 -1.87 -0.26 0.00 -0.16 0.00 0.00 57.90 55.61 1y97 n TYR 170 Cb 0.00 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 38.67 1y97 n TYR 170 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1y97 s SER 171 N -3.20 5.72 0.20 7.72 1.04 -1.26 -4.86 113.70 119.07 1y97 s SER 171 Ca 0.45 0.66 -0.10 0.00 0.48 0.00 0.00 55.95 57.45 1y97 s SER 171 Cb 0.40 -1.74 0.25 0.00 0.10 0.00 0.00 66.02 65.03 1y97 s SER 171 CO -0.01 -0.94 1.76 -0.07 0.98 0.00 0.00 173.24 174.97 1y97 h LEU 172 N -0.02 0.33 0.06 2.42 3.38 -1.98 -1.03 115.31 118.47 1y97 h LEU 172 Ca -0.46 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1y97 h LEU 172 Cb 1.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1y97 h LEU 172 CO 0.60 0.20 -0.17 1.23 0.09 0.00 0.00 178.44 180.39 1y97 h GLY 173 N 0.49 -0.28 0.73 0.83 0.00 -1.99 0.25 103.07 103.10 1y97 h GLY 173 Ca 0.29 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1y97 h GLY 173 CO -0.25 -0.17 -0.04 1.76 0.00 0.00 0.00 176.54 177.84 1y97 h SER 174 N -0.32 -0.10 -0.83 0.19 0.02 -1.84 -1.34 113.55 109.34 1y97 h SER 174 Ca 0.04 -0.24 0.20 0.00 -0.84 0.00 0.00 61.79 60.94 1y97 h SER 174 Cb 0.36 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 62.80 1y97 h SER 174 CO -0.12 0.19 0.27 -0.07 -1.14 0.00 0.00 176.83 175.95 1y97 h LEU 175 N -0.39 0.13 -0.27 5.07 3.38 -1.12 0.35 115.31 122.46 1y97 h LEU 175 Ca -0.01 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1y97 h LEU 175 Cb 0.33 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1y97 h LEU 175 CO 0.02 -0.04 -0.16 0.15 0.09 0.00 0.00 178.44 178.49 1y97 h PHE 176 N 0.31 0.68 -0.62 1.13 3.57 -0.80 -1.47 116.94 119.74 1y97 h PHE 176 Ca 0.50 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 1y97 h PHE 176 Cb 0.91 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1y97 h PHE 176 CO -0.22 0.85 0.20 0.45 -2.23 0.00 0.00 178.31 177.36 1y97 h HIS 177 N 0.31 1.00 -0.35 0.41 3.86 0.02 0.12 115.15 120.53 1y97 h HIS 177 Ca 0.06 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 1y97 h HIS 177 Cb 0.69 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1y97 h HIS 177 CO 0.07 0.82 -0.30 -0.09 0.86 0.00 0.00 177.93 179.28 1y97 h ARG 178 N 0.89 0.74 0.00 2.45 2.43 -0.34 0.19 114.38 120.75 1y97 h ARG 178 Ca 0.20 -0.33 -0.22 0.00 -0.81 0.00 0.00 59.98 58.82 1y97 h ARG 178 Cb 0.29 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1y97 h ARG 178 CO -0.01 0.95 -1.11 1.88 -1.51 0.00 0.00 179.97 180.16 1y97 h TYR 179 N 0.63 0.00 0.00 2.20 0.99 -1.12 -3.38 116.97 116.29 1y97 h TYR 179 Ca 0.07 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1y97 h TYR 179 Cb 0.82 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.49 1y97 h TYR 179 CO 0.04 0.95 -0.46 1.19 -0.00 0.00 0.00 178.16 179.88 1y97 n PHE 180 N -3.27 0.00 -0.73 4.88 3.01 0.41 -4.99 117.46 116.77 1y97 n PHE 180 Ca -0.03 -1.07 0.00 0.00 1.01 0.00 0.00 57.45 57.35 1y97 n PHE 180 Cb 0.94 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 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 -0.83 -1.29 -2.03 -1.08 -4.01 0.66 -4.78 116.66 103.30 1y97 n ARG 181 Ca 0.14 0.29 0.00 0.00 -1.04 0.00 0.00 57.85 57.24 1y97 n ARG 181 Cb 0.76 -4.51 0.00 0.00 -3.04 0.00 0.00 32.46 25.66 1y97 n ARG 181 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1y97 n ALA 182 N 0.93 0.00 -0.80 2.89 0.00 -1.12 -4.98 120.51 117.43 1y97 n ALA 182 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1y97 n ALA 182 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1y97 n ALA 182 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1y97 n GLU 183 N 0.00 0.00 -0.56 0.00 -0.00 -1.26 -3.59 120.64 115.24 1y97 n GLU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1y97 n GLU 183 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 31.44 30.67 1y97 n GLU 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1y97 n PRO 184 N 1.04 0.86 -2.69 3.44 -0.02 -1.26 -5.00 135.00 131.37 1y97 n PRO 184 Ca 0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1y97 n PRO 184 Cb 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.53 1y97 n PRO 184 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1y97 n SER 185 N -2.60 1.42 -0.02 2.55 7.64 -1.26 -5.18 113.62 116.17 1y97 n SER 185 Ca 0.00 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1y97 n SER 185 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1y97 n SER 185 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1y97 n SER 189 N -0.04 -0.76 -0.19 6.43 2.88 -1.26 -4.65 113.62 116.02 1y97 n SER 189 Ca 0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.62 1y97 n SER 189 Cb 0.81 0.29 0.19 0.00 -0.75 0.00 0.00 64.21 64.75 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 1.27 -0.20 -1.46 0.00 -1.90 -1.64 119.26 115.33 1y97 h ALA 190 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1y97 h ALA 190 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1y97 h ALA 190 CO 0.00 0.55 -0.64 1.49 0.00 0.00 0.00 179.25 180.65 1y97 h GLU 191 N 0.94 0.78 -0.59 0.00 4.81 -1.91 -1.78 114.58 116.84 1y97 h GLU 191 Ca 0.23 -0.58 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1y97 h GLU 191 Cb 0.14 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1y97 h GLU 191 CO -0.03 1.20 0.03 0.78 -0.73 0.00 0.00 179.01 180.26 1y97 h GLY 192 N 0.52 1.08 1.67 1.92 0.00 -1.83 0.42 103.07 106.84 1y97 h GLY 192 Ca -0.02 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1y97 h GLY 192 CO 0.14 0.69 -0.09 -0.55 0.00 0.00 0.00 176.54 176.73 1y97 h ASP 193 N 0.92 0.39 0.51 0.19 5.19 -1.26 0.29 116.42 122.65 1y97 h ASP 193 Ca 0.17 -0.08 -0.25 0.00 -0.62 0.00 0.00 57.03 56.25 1y97 h ASP 193 Cb 0.50 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1y97 h ASP 193 CO 0.02 0.52 -1.09 0.58 -3.12 0.00 0.00 179.24 176.15 1y97 h VAL 194 N 0.39 1.46 -0.51 -1.35 2.07 -0.59 -2.02 116.25 115.70 1y97 h VAL 194 Ca 0.08 -2.78 0.04 0.00 0.82 0.00 0.00 66.70 64.86 1y97 h VAL 194 Cb 0.40 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1y97 h VAL 194 CO 0.02 0.82 0.28 -0.74 0.02 0.00 0.00 177.57 177.97 1y97 h HIS 195 N 0.14 0.51 0.00 1.57 -0.00 0.59 -0.83 115.15 117.13 1y97 h HIS 195 Ca -0.11 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.14 1y97 h HIS 195 Cb 1.78 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 29.01 1y97 h HIS 195 CO 0.06 0.27 -0.71 1.79 -0.00 0.00 0.00 177.93 179.34 1y97 h THR 196 N 0.54 1.28 -0.52 6.26 1.35 -0.47 -3.08 112.91 118.27 1y97 h THR 196 Ca 0.22 -2.63 -0.04 0.00 -0.55 0.00 0.00 66.41 63.41 1y97 h THR 196 Cb 0.09 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 1y97 h THR 196 CO -0.13 0.69 0.18 0.25 -0.25 0.00 0.00 175.52 176.26 1y97 h LEU 197 N 0.00 0.75 -0.86 3.87 5.85 -0.96 -2.19 115.31 121.77 1y97 h LEU 197 Ca -0.01 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1y97 h LEU 197 Cb 1.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1y97 h LEU 197 CO 0.09 0.74 0.57 0.25 -0.34 0.00 0.00 178.44 179.75 1y97 h LEU 198 N 0.71 0.98 -0.39 2.25 6.46 -1.15 -1.16 115.31 123.01 1y97 h LEU 198 Ca 0.17 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1y97 h LEU 198 Cb 0.25 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1y97 h LEU 198 CO -0.01 0.70 0.01 -0.07 -0.62 0.00 0.00 178.44 178.45 1y97 h LEU 199 N 1.15 0.66 -0.41 2.25 3.38 -1.44 0.27 115.31 121.18 1y97 h LEU 199 Ca 0.32 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1y97 h LEU 199 Cb -0.12 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1y97 h LEU 199 CO -0.07 0.80 0.13 0.40 0.09 0.00 0.00 178.44 179.79 1y97 h ILE 200 N 0.50 0.85 -0.84 1.22 2.04 -1.02 -1.72 117.51 118.55 1y97 h ILE 200 Ca 0.11 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1y97 h ILE 200 Cb 0.46 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1y97 h ILE 200 CO 0.02 0.05 0.56 0.15 0.00 0.00 0.00 178.15 178.93 1y97 h PHE 201 N 0.29 1.05 -0.24 1.37 3.04 -0.96 -2.36 116.94 119.12 1y97 h PHE 201 Ca 0.19 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1y97 h PHE 201 Cb 0.19 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1y97 h PHE 201 CO -0.16 0.66 0.04 -0.07 -2.02 0.00 0.00 178.31 176.75 1y97 h LEU 202 N 1.13 0.31 -0.64 0.59 4.07 -0.09 0.29 115.31 120.97 1y97 h LEU 202 Ca 0.31 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 58.10 1y97 h LEU 202 Cb -0.12 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1y97 h LEU 202 CO -0.07 0.34 -0.36 -0.74 -1.08 0.00 0.00 178.44 176.52 1y97 h HIS 203 N 0.34 0.77 -0.37 1.13 2.76 -0.83 -2.97 115.15 115.99 1y97 h HIS 203 Ca 0.08 -0.21 -0.18 0.00 -2.20 0.00 0.00 60.37 57.86 1y97 h HIS 203 Cb 0.17 -0.17 -0.11 0.00 1.55 0.00 0.00 27.41 28.85 1y97 h HIS 203 CO 0.00 0.93 -0.05 0.54 -1.30 0.00 0.00 177.93 178.05 1y97 n ARG 204 N -4.05 1.92 -0.24 5.26 5.12 -0.85 -4.87 116.66 118.96 1y97 n ARG 204 Ca -0.01 -3.16 -0.06 0.00 -1.93 0.00 0.00 57.85 52.69 1y97 n ARG 204 Cb 0.50 -1.83 -0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1y97 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y97 h ALA 205 N 1.05 -0.11 -0.76 7.54 0.00 -0.27 0.24 119.26 126.94 1y97 h ALA 205 Ca 0.22 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1y97 h ALA 205 Cb 1.69 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 20.31 1y97 h ALA 205 CO 0.40 -0.72 0.45 0.00 0.00 0.00 0.00 179.25 179.38 1y97 h ALA 206 N 0.92 1.04 -0.36 0.00 0.00 -1.86 -0.29 119.26 118.72 1y97 h ALA 206 Ca 0.23 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1y97 h ALA 206 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y97 h ALA 206 CO -0.74 0.16 -0.20 0.93 0.00 0.00 0.00 179.25 179.41 1y97 h GLU 207 N 0.82 0.76 -0.08 0.00 5.08 -1.62 -2.96 114.58 116.59 1y97 h GLU 207 Ca 0.34 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1y97 h GLU 207 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1y97 h GLU 207 CO -0.18 0.96 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.26 1y97 h LEU 208 N 0.55 0.20 0.23 1.33 3.38 -0.65 -1.34 115.31 119.01 1y97 h LEU 208 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1y97 h LEU 208 Cb 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1y97 h LEU 208 CO 0.06 0.64 -0.11 -0.07 0.09 0.00 0.00 178.44 179.04 1y97 h LEU 209 N 0.15 -0.26 -0.70 1.67 3.38 -1.06 0.71 115.31 119.20 1y97 h LEU 209 Ca 0.01 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1y97 h LEU 209 Cb 0.88 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1y97 h LEU 209 CO 0.07 -0.02 0.39 0.00 0.09 0.00 0.00 178.44 178.97 1y97 h ALA 210 N 0.22 0.94 -0.23 1.53 0.00 -1.40 0.48 119.26 120.80 1y97 h ALA 210 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y97 h ALA 210 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y97 h ALA 210 CO 0.05 0.08 0.15 2.35 0.00 0.00 0.00 179.25 181.87 1y97 h TRP 211 N 0.72 0.29 -0.53 0.00 2.91 -1.07 -0.76 115.95 117.52 1y97 h TRP 211 Ca 0.31 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.38 1y97 h TRP 211 Cb 0.19 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.70 1y97 h TRP 211 CO -0.07 0.20 0.27 0.00 -1.03 0.00 0.00 178.44 177.81 1y97 h ALA 212 N 1.07 0.68 -0.86 2.65 0.00 0.07 1.17 119.26 124.04 1y97 h ALA 212 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1y97 h ALA 212 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1y97 h ALA 212 CO -0.02 -0.07 0.57 -0.44 0.00 0.00 0.00 179.25 179.29 1y97 h ASP 213 N 0.53 0.95 0.47 0.00 3.32 -0.46 0.12 116.42 121.35 1y97 h ASP 213 Ca 0.23 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.00 1y97 h ASP 213 Cb 0.14 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1y97 h ASP 213 CO -0.16 0.66 -1.73 -0.62 -1.72 0.00 0.00 179.24 175.67 1y97 n GLU 214 N -4.43 0.64 0.00 3.56 -0.58 -0.33 -4.48 120.64 115.01 1y97 n GLU 214 Ca 0.11 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1y97 n GLU 214 Cb 0.08 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1y97 n GLU 214 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1y97 n GLN 215 N -2.95 1.09 -1.66 3.49 1.13 0.40 -4.70 117.38 114.18 1y97 n GLN 215 Ca -0.17 -0.33 -0.45 0.00 -1.94 0.00 0.00 57.00 54.11 1y97 n GLN 215 Cb 1.01 -0.82 -0.02 0.00 0.11 0.00 0.00 30.24 30.52 1y97 n GLN 215 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y97 n ALA 216 N -0.25 0.89 -2.23 -1.58 0.00 0.02 -4.96 120.51 112.41 1y97 n ALA 216 Ca 0.00 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 1y97 n ALA 216 Cb 0.02 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 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 -0.74 4.19 0.32 0.00 0.52 -0.13 -4.74 118.95 118.37 1y97 s ARG 217 Ca 0.66 0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 56.32 1y97 s ARG 217 Cb -0.66 -3.07 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 1y97 s ARG 217 CO 0.53 0.53 1.35 0.20 0.02 0.00 0.00 175.30 177.93 1y97 s GLY 218 N -1.41 2.86 0.46 -3.53 0.00 -1.26 0.69 107.32 105.13 1y97 s GLY 218 Ca 0.35 1.30 0.13 0.00 0.00 0.00 0.00 44.72 46.51 1y97 s GLY 218 CO 0.20 2.02 2.07 -0.25 0.00 0.00 0.00 173.10 177.14 1y97 h TRP 219 N 3.68 0.27 0.00 1.90 2.91 -1.54 0.39 115.95 123.55 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 1.23 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1y97 h TRP 219 CO 0.56 0.16 -0.01 0.00 -1.03 0.00 0.00 178.44 178.12 1y97 h ALA 220 N 1.82 1.58 0.00 2.65 0.00 -1.89 -1.13 119.26 122.29 1y97 h ALA 220 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y97 h ALA 220 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y97 h ALA 220 CO -0.03 0.02 -0.09 0.45 0.00 0.00 0.00 179.25 179.60 1y97 h HIS 221 N 0.00 0.00 -3.35 0.00 3.86 -1.27 -3.45 115.15 110.94 1y97 h HIS 221 Ca -0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1y97 h HIS 221 Cb 0.03 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.53 1y97 h HIS 221 CO 0.00 0.00 0.64 0.42 0.86 0.00 0.00 177.93 179.85 1y97 s ILE 222 N -3.15 3.30 -0.15 2.45 -1.09 -0.43 -5.01 121.20 117.12 1y97 s ILE 222 Ca 0.09 1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 59.51 1y97 s ILE 222 Cb 0.10 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1y97 s ILE 222 CO 0.64 0.15 0.04 -0.70 -1.23 0.00 0.00 174.94 173.83 1y97 s GLU 223 N 0.04 3.61 0.00 2.79 2.56 -1.26 -5.04 118.70 121.40 1y97 s GLU 223 Ca 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.17 1y97 s GLU 223 Cb -0.36 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 32.73 1y97 s GLU 223 CO 0.37 0.43 0.00 -0.35 -0.56 0.00 0.00 175.26 175.15 1y97 n PRO 224 N 3.02 3.03 -0.56 4.30 -0.04 -1.26 -4.42 135.00 139.07 1y97 n PRO 224 Ca -0.18 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 1y97 n PRO 224 Cb 0.53 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.22 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 1.38 0.21 0.54 -0.85 -1.26 -4.86 117.35 112.50 1y97 s TYR 226 Ca 0.00 1.32 0.04 0.00 -0.52 0.00 0.00 57.07 57.92 1y97 s TYR 226 Cb 0.00 -3.15 -0.03 0.00 0.38 0.00 0.00 41.96 39.16 1y97 s TYR 226 CO 0.00 -3.69 0.30 -0.51 -1.52 0.00 0.00 175.55 170.14 1y97 s LEU 227 N -7.12 4.23 0.00 -3.49 1.02 -1.26 -4.70 118.68 107.37 1y97 s LEU 227 Ca 0.68 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.88 1y97 s LEU 227 Cb -0.25 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1y97 s LEU 227 CO 0.63 -0.02 0.42 -0.81 0.02 0.00 0.00 176.35 176.60